data_1gjs_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 1gjs _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 core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.039 -1.097 . . . . 1.24 108.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.72 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 1.05 109.966 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 1.0600000000000001 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.8100000000000001 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 1.0800000000000001 110.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 1.4199999999999999 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 1.03 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.28000000000000003 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 4.29 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.3899999999999999 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 1.1000000000000001 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.1399999999999999 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 2.2000000000000002 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.79 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.38 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 1.3300000000000001 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.8100000000000001 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.3500000000000001 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 2.29 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 1.4199999999999999 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.5499999999999998 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.97 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 1.3200000000000001 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 1.1599999999999999 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.95 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 3.3799999999999999 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.5900000000000001 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 1.1799999999999999 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.6400000000000001 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.47999999999999998 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 1.0700000000000001 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 2.2599999999999998 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 1.1799999999999999 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 1.05 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.1699999999999999 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 60' ' ' ILE . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 1.1100000000000001 110.072 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.9099999999999999 109.205 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.803 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.182 0.515 . . . . 1.24 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.72 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 1.05 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.8100000000000001 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 1.4199999999999999 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 1.03 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.28000000000000003 109.652 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 4.29 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.3899999999999999 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 1.1000000000000001 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.1399999999999999 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 2.2000000000000002 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.79 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.38 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 1.3300000000000001 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.8100000000000001 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.3500000000000001 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 2.29 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 1.4199999999999999 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.5499999999999998 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.97 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 1.3200000000000001 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 1.1599999999999999 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.95 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 3.3799999999999999 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.5900000000000001 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 1.1799999999999999 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.6400000000000001 108.133 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.47999999999999998 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 1.0700000000000001 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 2.2599999999999998 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 1.1499999999999999 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 1.1799999999999999 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 1.05 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.1699999999999999 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 1.1100000000000001 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.9099999999999999 108.91 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.727 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.238 0.542 . . . . 1.24 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.72 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 1.05 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 1.0600000000000001 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.8100000000000001 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 1.4199999999999999 109.526 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 1.03 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.478 HD22 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.28000000000000003 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 4.29 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.3899999999999999 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 1.1000000000000001 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.1399999999999999 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 2.2000000000000002 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.79 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.38 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 1.3300000000000001 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.8100000000000001 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.3500000000000001 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 2.29 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 1.4199999999999999 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' CE ' HD22 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.5499999999999998 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.97 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 1.3200000000000001 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 1.1599999999999999 109.544 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.95 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 3.3799999999999999 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.5900000000000001 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 1.1799999999999999 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.6400000000000001 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.47999999999999998 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 1.0700000000000001 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 2.2599999999999998 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 1.1799999999999999 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 1.05 108.159 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.1699999999999999 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 1.1100000000000001 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.531 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 1.0700000000000001 109.58 179.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.233 0.54 . . . . 1.24 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.72 108.192 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 1.05 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 1.0600000000000001 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.8100000000000001 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 1.0800000000000001 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 1.4199999999999999 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 1.03 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.28000000000000003 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 4.29 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.3899999999999999 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 1.1000000000000001 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.1399999999999999 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 2.2000000000000002 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.79 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.38 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 1.3300000000000001 109.096 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.8100000000000001 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.3500000000000001 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 2.29 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 1.4199999999999999 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.5499999999999998 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.97 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 1.3200000000000001 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 1.1599999999999999 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.95 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 3.3799999999999999 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.5900000000000001 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 1.1799999999999999 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.6400000000000001 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.47999999999999998 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 1.0700000000000001 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 2.2599999999999998 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 1.1499999999999999 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 1.1799999999999999 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 1.05 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.1699999999999999 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 1.1100000000000001 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.9099999999999999 109.33 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.688 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.225 0.536 . . . . 1.24 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.72 109.441 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.05 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.8100000000000001 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 1.0800000000000001 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 1.4199999999999999 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 1.03 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.28000000000000003 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 4.29 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.3899999999999999 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 1.1000000000000001 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.679 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.1399999999999999 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 2.2000000000000002 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.79 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.38 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 1.3300000000000001 108.828 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.8100000000000001 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.3500000000000001 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 2.29 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 1.4199999999999999 110.527 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HZ2' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.5499999999999998 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.97 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 1.3200000000000001 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 1.1599999999999999 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.95 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 3.3799999999999999 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.5900000000000001 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 1.1799999999999999 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.6400000000000001 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.47999999999999998 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 1.0700000000000001 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 2.2599999999999998 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.1499999999999999 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 1.1799999999999999 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 1.05 107.929 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.1699999999999999 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 1.1100000000000001 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.592 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 1.0700000000000001 108.843 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.025 0.441 . . . . 1.24 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.72 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 1.05 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 1.0600000000000001 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.8100000000000001 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 1.0800000000000001 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 1.4199999999999999 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.03 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.28000000000000003 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 4.29 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.3899999999999999 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 1.1000000000000001 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.1399999999999999 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 2.2000000000000002 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.79 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.38 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 1.3300000000000001 108.898 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.8100000000000001 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.3500000000000001 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 2.29 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 1.4199999999999999 110.457 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.5499999999999998 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.97 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 1.3200000000000001 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 1.1599999999999999 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.95 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 3.3799999999999999 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.5900000000000001 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 1.1799999999999999 109.938 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.6400000000000001 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.47999999999999998 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 1.0700000000000001 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 2.2599999999999998 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 1.1499999999999999 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 1.1799999999999999 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 1.05 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.1699999999999999 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 1.1100000000000001 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.336 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.207 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 1.24 109.42 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.72 109.603 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 1.05 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 1.0600000000000001 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.8100000000000001 109.125 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 1.0800000000000001 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 1.4199999999999999 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 1.03 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.28000000000000003 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 4.29 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.3899999999999999 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 1.1000000000000001 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.1399999999999999 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 2.2000000000000002 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.79 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.38 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 1.3300000000000001 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.8100000000000001 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.3500000000000001 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 2.29 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 1.4199999999999999 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.5499999999999998 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.97 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 1.3200000000000001 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 1.1599999999999999 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.95 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 3.3799999999999999 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.5900000000000001 110.114 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 1.1799999999999999 110.423 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.6400000000000001 109.269 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.47999999999999998 110.759 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 1.0700000000000001 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 2.2599999999999998 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 1.1799999999999999 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 1.05 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.1699999999999999 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 1.1100000000000001 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.9099999999999999 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 110.306 -179.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.142 0.496 . . . . 1.24 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.72 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 1.05 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 1.0600000000000001 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.8100000000000001 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 1.0800000000000001 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 1.4199999999999999 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 1.03 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.28000000000000003 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 4.29 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.3899999999999999 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.1399999999999999 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.2000000000000002 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.79 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.38 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 1.3300000000000001 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.419 ' H ' HG13 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.8100000000000001 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.3500000000000001 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 2.29 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 1.4199999999999999 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.5499999999999998 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.97 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 1.3200000000000001 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 1.1599999999999999 109.23 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.95 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 3.3799999999999999 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.5900000000000001 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 1.1799999999999999 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.6400000000000001 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.47999999999999998 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 1.0700000000000001 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 2.2599999999999998 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 1.1499999999999999 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 1.1799999999999999 109.212 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 1.05 108.995 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.1699999999999999 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 1.1100000000000001 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.9099999999999999 109.224 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.996 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.599 -0.519 . . . . 1.24 109.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.72 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 1.05 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 1.0600000000000001 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.8100000000000001 108.841 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 1.4199999999999999 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 1.03 109.753 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' LYS . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.28000000000000003 110.128 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 4.29 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.3899999999999999 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 1.1000000000000001 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.1399999999999999 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 2.2000000000000002 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.79 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.38 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 1.3300000000000001 108.972 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.8100000000000001 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.3500000000000001 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 2.29 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 1.4199999999999999 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.5499999999999998 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.97 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 1.3200000000000001 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 1.1599999999999999 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.95 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 3.3799999999999999 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.5900000000000001 109.89 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 1.1799999999999999 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.6400000000000001 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.47999999999999998 109.354 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 1.0700000000000001 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 2.2599999999999998 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 1.1799999999999999 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 1.05 109.257 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.1699999999999999 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 1.1100000000000001 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.9099999999999999 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.334 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.975 0.417 . . . . 1.24 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.72 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 1.05 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 1.0600000000000001 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.8100000000000001 108.682 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 1.0800000000000001 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 1.4199999999999999 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 1.03 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.28000000000000003 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 4.29 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.3899999999999999 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 1.1000000000000001 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.1399999999999999 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 2.2000000000000002 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.79 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.38 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 1.3300000000000001 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.8100000000000001 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.3500000000000001 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 2.29 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 1.4199999999999999 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.5499999999999998 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.97 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 1.3200000000000001 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 1.1599999999999999 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.95 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 3.3799999999999999 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.5900000000000001 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 1.1799999999999999 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.6400000000000001 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.47999999999999998 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 1.0700000000000001 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 2.2599999999999998 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 1.1499999999999999 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 1.1799999999999999 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 57' ' ' ILE . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 1.05 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.1699999999999999 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 1.1100000000000001 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.9099999999999999 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 109.404 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.221 0.534 . . . . 1.24 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.72 108.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 1.05 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 1.0600000000000001 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.0800000000000001 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 1.4199999999999999 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 1.03 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.28000000000000003 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 4.29 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.3899999999999999 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 1.1000000000000001 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.1399999999999999 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 2.2000000000000002 109.909 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.79 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.38 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 1.3300000000000001 108.668 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.8100000000000001 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.3500000000000001 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 2.29 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 1.4199999999999999 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.5499999999999998 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.97 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 1.3200000000000001 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.95 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 3.3799999999999999 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.5900000000000001 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 1.1799999999999999 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.6400000000000001 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.47999999999999998 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 1.0700000000000001 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 2.2599999999999998 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 1.1499999999999999 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 1.1799999999999999 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 1.05 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.1699999999999999 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 1.1100000000000001 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.9099999999999999 109.538 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 1.0700000000000001 109.053 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.549 -0.537 . . . . 1.24 109.549 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.72 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 1.05 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 1.0600000000000001 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.8100000000000001 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 1.0800000000000001 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 1.4199999999999999 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 1.03 110.104 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.28000000000000003 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 4.29 109.157 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.3899999999999999 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 1.1000000000000001 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.1399999999999999 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 2.2000000000000002 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.79 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.38 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 1.3300000000000001 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.8100000000000001 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.3500000000000001 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 2.29 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 1.4199999999999999 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.5499999999999998 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.97 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 1.3200000000000001 109.058 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 1.1599999999999999 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' A' ' 42' ' ' ASN . 80.7 m-20 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.95 110.211 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 3.3799999999999999 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.5900000000000001 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 1.1799999999999999 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.6400000000000001 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.47999999999999998 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 1.0700000000000001 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 2.2599999999999998 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 1.1499999999999999 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 1.1799999999999999 109.598 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 1.05 111.159 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.1699999999999999 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 1.1100000000000001 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.9099999999999999 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 109.16 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.292 -0.633 . . . . 1.24 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.72 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 1.05 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 1.0600000000000001 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.8100000000000001 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.0800000000000001 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 1.4199999999999999 110.043 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 1.03 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.28000000000000003 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 4.29 110.071 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.3899999999999999 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 1.1000000000000001 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.1399999999999999 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 2.2000000000000002 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.79 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.38 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.457 ' CG2' ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 1.3300000000000001 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.544 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.8100000000000001 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.3500000000000001 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 2.29 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD2' ' CG2' ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 1.4199999999999999 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.5499999999999998 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.97 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 1.3200000000000001 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 1.1599999999999999 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.95 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 3.3799999999999999 109.638 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.5900000000000001 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 1.1799999999999999 110.258 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.6400000000000001 107.431 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.47999999999999998 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 1.0700000000000001 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 2.2599999999999998 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 1.1499999999999999 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 1.05 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.1699999999999999 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 1.1100000000000001 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.085 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.258 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.141 -0.689 . . . . 1.24 109.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.72 108.731 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 1.05 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 1.0600000000000001 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.8100000000000001 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 1.0800000000000001 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 1.4199999999999999 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 1.03 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.452 HD22 ' CE ' ' A' ' 41' ' ' LYS . 17.9 t-20 -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.28000000000000003 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 4.29 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.3899999999999999 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.1399999999999999 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 2.2000000000000002 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.79 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.38 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 1.3300000000000001 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 35' ' ' GLY . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.8100000000000001 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.3500000000000001 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 2.29 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 1.4199999999999999 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' CE ' HD22 ' A' ' 28' ' ' ASN . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.5499999999999998 108.88 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.97 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 1.3200000000000001 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 1.1599999999999999 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.95 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 3.3799999999999999 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.5900000000000001 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 1.1799999999999999 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.6400000000000001 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.47999999999999998 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 1.0700000000000001 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 2.2599999999999998 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.1499999999999999 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 1.1799999999999999 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 1.05 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.1699999999999999 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 60' ' ' ILE . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 1.1100000000000001 110.028 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.347 -179.331 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.536 ' HG ' ' N ' ' A' ' 20' ' ' LEU . 87.8 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.134 0.492 . . . . 1.24 110.087 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.536 ' N ' ' HG ' ' A' ' 19' ' ' SER . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.72 109.259 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 1.05 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 1.0600000000000001 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.8100000000000001 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 1.0800000000000001 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 1.4199999999999999 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 1.03 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.28000000000000003 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 4.29 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.3899999999999999 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 1.1000000000000001 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.1399999999999999 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 2.2000000000000002 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.79 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.38 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 1.3300000000000001 108.656 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.8100000000000001 109.916 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.3500000000000001 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 2.29 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 1.4199999999999999 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.5499999999999998 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.97 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 1.3200000000000001 108.963 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 1.1599999999999999 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.95 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 3.3799999999999999 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.5900000000000001 110.951 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 1.1799999999999999 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.6400000000000001 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.47999999999999998 109.221 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 1.0700000000000001 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 2.2599999999999998 110.845 -179.344 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 1.1499999999999999 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 1.1799999999999999 108.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 1.05 108.174 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.1699999999999999 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 1.1100000000000001 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 108.911 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.39 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.042 -0.725 . . . . 1.24 109.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.72 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 1.05 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 1.0600000000000001 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.8100000000000001 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 1.0800000000000001 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 1.4199999999999999 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 1.03 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.28000000000000003 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 4.29 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.3899999999999999 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 1.1000000000000001 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.1399999999999999 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 2.2000000000000002 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.79 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.38 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 1.3300000000000001 109.176 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.8100000000000001 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.3500000000000001 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 2.29 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 1.4199999999999999 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.5499999999999998 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.97 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 1.3200000000000001 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 1.1599999999999999 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.95 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 3.3799999999999999 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.5900000000000001 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 1.1799999999999999 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.6400000000000001 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.47999999999999998 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 1.0700000000000001 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 2.2599999999999998 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 1.1799999999999999 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 1.05 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.1699999999999999 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 1.1100000000000001 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.9099999999999999 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 1.0700000000000001 109.441 -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.076 -0.342 . . . . 1.24 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.72 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 1.05 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' CB ' ' HZ1' ' A' ' 24' ' ' LYS . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.8100000000000001 109.618 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 1.0800000000000001 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 1.4199999999999999 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 1.03 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.28000000000000003 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 4.29 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.3899999999999999 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 1.1000000000000001 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.1399999999999999 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 2.2000000000000002 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.79 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.38 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 1.3300000000000001 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.8100000000000001 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.3500000000000001 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 2.29 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 1.4199999999999999 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.5499999999999998 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.97 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 1.3200000000000001 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 1.1599999999999999 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.95 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 3.3799999999999999 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.5900000000000001 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 1.1799999999999999 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.6400000000000001 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.47999999999999998 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 1.0700000000000001 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 2.2599999999999998 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 1.1799999999999999 109.157 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 1.05 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.1699999999999999 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 1.1100000000000001 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.221 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 109.875 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.952 0.406 . . . . 1.24 110.355 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.72 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 1.05 109.372 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 1.0600000000000001 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.8100000000000001 108.825 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 1.0800000000000001 109.12 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 1.4199999999999999 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 1.03 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.28000000000000003 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 4.29 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.3899999999999999 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 1.1000000000000001 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.1399999999999999 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 2.2000000000000002 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.79 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.38 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 1.3300000000000001 109.166 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.8100000000000001 109.718 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.3500000000000001 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 2.29 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 1.4199999999999999 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.5499999999999998 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.97 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 1.3200000000000001 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 1.1599999999999999 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.95 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 3.3799999999999999 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.5900000000000001 110.287 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 1.1799999999999999 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.6400000000000001 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.47999999999999998 109.377 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 1.0700000000000001 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 2.2599999999999998 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 1.1799999999999999 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 57' ' ' ILE . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 1.05 108.354 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 1.1100000000000001 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.9099999999999999 109.372 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.349 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 1.24 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.72 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 1.05 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 1.0600000000000001 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.8100000000000001 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 1.0800000000000001 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 1.4199999999999999 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 1.03 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.28000000000000003 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 4.29 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.3899999999999999 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 1.1000000000000001 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' HB2' ' HZ1' ' A' ' 41' ' ' LYS . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.1399999999999999 108.121 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 2.2000000000000002 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.79 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.38 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 1.3300000000000001 109.137 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.8100000000000001 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.3500000000000001 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 2.29 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 1.4199999999999999 109.493 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HZ1' ' HB2' ' A' ' 32' ' ' ASP . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.5499999999999998 108.519 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.97 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 1.3200000000000001 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 1.1599999999999999 108.688 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.95 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 3.3799999999999999 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.5900000000000001 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 1.1799999999999999 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.6400000000000001 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.47999999999999998 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 1.0700000000000001 109.535 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 2.2599999999999998 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 1.1499999999999999 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 1.1799999999999999 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 1.05 109.638 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.1699999999999999 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 1.1100000000000001 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 1.0700000000000001 109.321 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.18 0.514 . . . . 1.24 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.72 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 1.05 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 1.0600000000000001 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.8100000000000001 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.0800000000000001 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 1.4199999999999999 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 1.03 109.338 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.28000000000000003 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 4.29 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.3899999999999999 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 1.1000000000000001 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.1399999999999999 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 2.2000000000000002 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.79 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.38 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 1.3300000000000001 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.8100000000000001 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.3500000000000001 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 2.29 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 1.4199999999999999 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.5499999999999998 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.97 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 1.3200000000000001 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 1.1599999999999999 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.95 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 49' ' ' THR . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 3.3799999999999999 110.87 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 48' ' ' LYS . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.5900000000000001 109.362 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 1.1799999999999999 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.6400000000000001 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.47999999999999998 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 1.0700000000000001 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 2.2599999999999998 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 1.1499999999999999 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 1.1799999999999999 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 1.05 108.188 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.1699999999999999 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 1.1100000000000001 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.383 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 1.24 109.369 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.72 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 1.05 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 1.0600000000000001 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.8100000000000001 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 1.0800000000000001 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 1.4199999999999999 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.03 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.28000000000000003 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 4.29 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.3899999999999999 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 1.1000000000000001 109.499 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.1399999999999999 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 2.2000000000000002 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.79 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.38 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 1.3300000000000001 109.527 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.8100000000000001 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.3500000000000001 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 2.29 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 1.4199999999999999 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.5499999999999998 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.97 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 1.3200000000000001 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 1.1599999999999999 109.018 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.95 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 3.3799999999999999 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.5900000000000001 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 1.1799999999999999 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.6400000000000001 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.47999999999999998 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 1.0700000000000001 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 2.2599999999999998 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 1.1799999999999999 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 1.05 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.1699999999999999 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 1.1100000000000001 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.9099999999999999 109.209 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.548 179.929 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.094 0.473 . . . . 1.24 110.021 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.72 108.703 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 1.05 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 1.0600000000000001 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.8100000000000001 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 1.4199999999999999 109.644 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 1.03 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.28000000000000003 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 4.29 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.3899999999999999 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 1.1000000000000001 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.1399999999999999 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 2.2000000000000002 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.79 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.38 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 1.3300000000000001 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.8100000000000001 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.3500000000000001 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 2.29 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 1.4199999999999999 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.5499999999999998 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.97 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 1.3200000000000001 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 1.1599999999999999 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.95 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 3.3799999999999999 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.5900000000000001 109.397 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 1.1799999999999999 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.6400000000000001 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.47999999999999998 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 1.0700000000000001 110.66 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 2.2599999999999998 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 1.1499999999999999 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 1.1799999999999999 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 1.05 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.1699999999999999 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 1.1100000000000001 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.9099999999999999 109.486 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 1.0700000000000001 108.983 179.641 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.052 0.453 . . . . 1.24 110.295 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.72 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 1.05 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 1.0600000000000001 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.8100000000000001 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 1.4199999999999999 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 1.03 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.28000000000000003 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 4.29 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.3899999999999999 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 1.1000000000000001 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.1399999999999999 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 2.2000000000000002 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.79 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.38 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 1.3300000000000001 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.3500000000000001 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 2.29 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 1.4199999999999999 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.5499999999999998 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.97 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 1.3200000000000001 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 1.1599999999999999 108.774 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.95 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 3.3799999999999999 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.5900000000000001 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 1.1799999999999999 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.6400000000000001 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.47999999999999998 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 1.0700000000000001 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 2.2599999999999998 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 1.1499999999999999 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 1.1799999999999999 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 1.05 107.935 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.1699999999999999 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 1.1100000000000001 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.221 179.72 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.021 0.439 . . . . 1.24 109.863 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.72 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 1.05 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 1.0600000000000001 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.8100000000000001 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 1.4199999999999999 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 1.03 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.28000000000000003 110.962 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 4.29 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.3899999999999999 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 1.1000000000000001 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.1399999999999999 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 2.2000000000000002 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.79 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.38 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 1.3300000000000001 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.8100000000000001 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.3500000000000001 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 2.29 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 1.4199999999999999 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.5499999999999998 109.113 -178.334 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.97 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 1.3200000000000001 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.1599999999999999 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.95 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 3.3799999999999999 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.5900000000000001 109.629 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 1.1799999999999999 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.6400000000000001 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.47999999999999998 109.632 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 1.0700000000000001 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 2.2599999999999998 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 1.1499999999999999 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 1.1799999999999999 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 1.05 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.1699999999999999 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 1.1100000000000001 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.9099999999999999 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 1.0700000000000001 109.699 179.923 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.002 0.43 . . . . 1.24 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.72 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 1.05 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.8100000000000001 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 1.0800000000000001 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 1.4199999999999999 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 1.03 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.28000000000000003 111.234 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 4.29 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.3899999999999999 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 1.1000000000000001 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.1399999999999999 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 2.2000000000000002 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.79 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.38 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 1.3300000000000001 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.8100000000000001 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.3500000000000001 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 2.29 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.5499999999999998 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.97 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 1.3200000000000001 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 1.1599999999999999 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.95 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HZ3' ' HG1' ' A' ' 49' ' ' THR . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 3.3799999999999999 110.561 -179.593 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.472 ' HG1' ' HZ3' ' A' ' 48' ' ' LYS . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.5900000000000001 109.536 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 1.1799999999999999 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.6400000000000001 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.47999999999999998 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 1.0700000000000001 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 2.2599999999999998 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 1.1499999999999999 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 1.1799999999999999 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 57' ' ' ILE . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 1.05 107.996 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.1699999999999999 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 1.1100000000000001 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.9099999999999999 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 1.0700000000000001 109.513 -179.989 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.271 -0.64 . . . . 1.24 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.72 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 1.05 109.453 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 1.0600000000000001 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.8100000000000001 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 1.4199999999999999 108.166 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 1.03 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.28000000000000003 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 4.29 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.3899999999999999 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 1.1000000000000001 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.1399999999999999 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 2.2000000000000002 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.79 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.38 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 1.3300000000000001 109.368 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.8100000000000001 109.831 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.3500000000000001 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 2.29 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 1.4199999999999999 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.5499999999999998 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.97 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 1.3200000000000001 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 1.1599999999999999 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.95 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 3.3799999999999999 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.5900000000000001 110.831 -178.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 1.1799999999999999 110.483 -179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.6400000000000001 108.737 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.47999999999999998 108.605 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 1.0700000000000001 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 2.2599999999999998 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 1.1499999999999999 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 1.1799999999999999 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 1.05 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.1699999999999999 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 1.1100000000000001 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.861 -179.869 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.135 0.493 . . . . 1.24 110.076 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.72 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 1.05 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 1.0600000000000001 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.8100000000000001 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 1.4199999999999999 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 1.03 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.405 HD22 ' CE ' ' A' ' 41' ' ' LYS . 21.4 t-20 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.28000000000000003 109.691 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 4.29 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.3899999999999999 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 1.1000000000000001 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.1399999999999999 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 2.2000000000000002 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.79 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.38 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 1.3300000000000001 109.426 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.8100000000000001 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.3500000000000001 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 2.29 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 1.4199999999999999 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' CE ' HD22 ' A' ' 28' ' ' ASN . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.5499999999999998 108.702 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.97 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 1.3200000000000001 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 1.1599999999999999 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.95 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 3.3799999999999999 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.5900000000000001 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 1.1799999999999999 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.6400000000000001 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.47999999999999998 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 1.0700000000000001 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 2.2599999999999998 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 1.1799999999999999 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 1.05 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.1699999999999999 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 1.1100000000000001 108.945 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.9099999999999999 110.856 -179.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 1.0700000000000001 109.337 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.627 -0.508 . . . . 1.24 109.627 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.72 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 1.05 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.0600000000000001 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.8100000000000001 108.854 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 1.4199999999999999 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 1.03 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.28000000000000003 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 4.29 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.3899999999999999 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.1399999999999999 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 2.2000000000000002 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.79 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.38 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 1.3300000000000001 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.511 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.8100000000000001 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.3500000000000001 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 2.29 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 1.4199999999999999 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.5499999999999998 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.97 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 1.3200000000000001 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 1.1599999999999999 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.95 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 3.3799999999999999 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' A' ' 52' ' ' GLY . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.5900000000000001 109.949 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 1.1799999999999999 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.6400000000000001 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.47999999999999998 108.596 178.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 1.0700000000000001 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 2.2599999999999998 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 1.1799999999999999 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 1.05 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.1699999999999999 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 1.1100000000000001 109.369 -178.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.9099999999999999 109.357 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 1.0700000000000001 109.306 179.869 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.382 0.61 . . . . 1.24 109.47 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.72 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 1.05 110.14 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 1.0600000000000001 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.8100000000000001 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 1.0800000000000001 109.134 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 1.4199999999999999 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 1.03 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.28000000000000003 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 4.29 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.3899999999999999 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 1.1000000000000001 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.1399999999999999 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 2.2000000000000002 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.79 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.38 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 1.3300000000000001 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.8100000000000001 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.502 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.3500000000000001 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' OG ' ' A' ' 37' ' ' SER . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 2.29 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 1.4199999999999999 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.5499999999999998 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.97 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 1.3200000000000001 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 1.1599999999999999 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.95 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 3.3799999999999999 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.5900000000000001 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 1.1799999999999999 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.6400000000000001 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.47999999999999998 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 1.0700000000000001 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 2.2599999999999998 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 1.1499999999999999 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 1.1799999999999999 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 1.05 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.1699999999999999 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 1.1100000000000001 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.9099999999999999 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.094 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.219 0.533 . . . . 1.24 109.841 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.72 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 1.05 110.088 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 1.0600000000000001 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.8100000000000001 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.736 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD22 HH21 ' A' ' 29' ' ' ARG . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 1.4199999999999999 109.539 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 1.03 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.28000000000000003 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 4.29 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.3899999999999999 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 1.1000000000000001 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.1399999999999999 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 2.2000000000000002 109.583 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.79 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.38 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 1.3300000000000001 108.893 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.8100000000000001 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.3500000000000001 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 2.29 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 1.4199999999999999 110.649 -178.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.5499999999999998 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.97 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 1.3200000000000001 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 1.1599999999999999 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.95 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 3.3799999999999999 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.5900000000000001 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 1.1799999999999999 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.6400000000000001 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.47999999999999998 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 1.0700000000000001 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 2.2599999999999998 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 1.1799999999999999 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 1.05 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.1699999999999999 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 1.1100000000000001 109.4 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.9099999999999999 109.283 179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.49 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.604 -0.517 . . . . 22.98 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.81 140.0 57.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 20.300000000000001 109.397 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.86 -37.85 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 18.48 109.239 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.1 mt -88.41 138.07 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.469 -0.769 . . . . 17.93 109.704 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.1 150.29 45.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 17.699999999999999 108.956 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -51.5 -54.82 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 15.300000000000001 110.021 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.96 125.83 30.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.075 -1.016 . . . . 16.149999999999999 109.01 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -157.98 162.42 38.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.274 -0.891 . . . . 14.359999999999999 109.307 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.17 0.64 51.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.267 -0.895 . . . . 12.699999999999999 109.82 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 59.9 tt0 -60.01 -50.04 75.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.008 -1.057 . . . . 13.279999999999999 109.73 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 41.4 m-70 -163.0 158.97 22.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.049 -1.032 . . . . 11.539999999999999 109.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -158.4 -176.82 6.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.732 -0.84 . . . . 10.08 108.732 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.93 -40.06 87.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.916 -1.115 . . . . 9.1199999999999992 108.632 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.34 126.8 39.83 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.299 -1.001 . . . . 5.6500000000000004 108.299 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.23 -178.14 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.386 -0.821 . . . . 5.46 110.135 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.23 -10.04 4.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.638 -0.664 . . . . 3.4500000000000002 110.201 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.93 -59.69 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 2.4100000000000001 109.351 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -89.89 70.0 7.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.056 -1.027 . . . . 2.3799999999999999 109.0 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t -157.86 -49.26 0.07 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.039 -1.097 . . . . 1.24 108.039 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.72 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 1.05 109.966 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 1.0600000000000001 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.8100000000000001 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 1.0800000000000001 110.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 1.4199999999999999 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 1.03 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.28000000000000003 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 4.29 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.3899999999999999 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 1.1000000000000001 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.1399999999999999 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 2.2000000000000002 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.79 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.38 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 1.3300000000000001 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.8100000000000001 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.3500000000000001 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 2.29 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 1.4199999999999999 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.5499999999999998 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.97 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 1.3200000000000001 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 1.1599999999999999 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.95 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 3.3799999999999999 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.5900000000000001 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 1.1799999999999999 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.6400000000000001 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.47999999999999998 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 1.0700000000000001 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 2.2599999999999998 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 1.1799999999999999 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 1.05 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.1699999999999999 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 60' ' ' ILE . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 1.1100000000000001 110.072 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.9099999999999999 109.205 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' A' ' 64' ' ' LEU . . . -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.803 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 12.33 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.208 -0.933 . . . . 1.3600000000000001 109.999 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 62' ' ' ALA . 82.0 mt -130.06 76.46 78.0 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.364 -0.835 . . . . 1.6200000000000001 109.513 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 C-N-CA 120.956 1.104 . . . . 3.2000000000000002 111.95 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.307 -0.627 . . . . 22.98 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -10.4 59.77 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.02 -1.05 . . . . 20.300000000000001 109.629 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.81 68.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 18.48 109.3 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.8 mt -121.01 130.08 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 109.395 -0.594 . . . . 17.93 109.395 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -127.78 98.05 5.04 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.41 -0.806 . . . . 17.699999999999999 109.446 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -148.47 -13.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 15.300000000000001 108.92 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 10.0 mp -70.01 -17.86 63.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.397 -0.814 . . . . 16.149999999999999 109.373 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -49.56 135.15 18.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.403 -0.811 . . . . 14.359999999999999 109.91 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.92 139.93 53.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.437 0.636 . . . . 12.699999999999999 109.574 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -71.0 147.9 48.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.37 -0.831 . . . . 13.279999999999999 109.026 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.92 97.22 0.1 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.026 -1.046 . . . . 11.539999999999999 109.292 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 56.4 t0 -152.1 140.21 20.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 10.08 109.083 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 99.3 mt-10 -79.25 130.06 35.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 9.1199999999999992 109.502 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.41 138.3 47.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 5.6500000000000004 109.075 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.84 128.77 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.226 -0.921 . . . . 5.46 109.059 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -101.06 171.08 7.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.374 -0.829 . . . . 3.4500000000000002 109.357 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.38 60.42 6.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.953 . . . . 2.4100000000000001 109.093 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.7 -52.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 2.3799999999999999 109.654 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -62.53 -39.29 93.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 1.24 109.677 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.72 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 1.05 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.8100000000000001 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 1.4199999999999999 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 1.03 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.28000000000000003 109.652 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 4.29 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.3899999999999999 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 1.1000000000000001 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.1399999999999999 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 2.2000000000000002 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.79 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.38 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 1.3300000000000001 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.8100000000000001 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.3500000000000001 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 2.29 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 1.4199999999999999 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.5499999999999998 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.97 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 1.3200000000000001 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 1.1599999999999999 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.95 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 3.3799999999999999 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.5900000000000001 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 1.1799999999999999 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.6400000000000001 108.133 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.47999999999999998 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 1.0700000000000001 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 2.2599999999999998 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 1.1499999999999999 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 1.1799999999999999 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 1.05 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.1699999999999999 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 1.1100000000000001 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.9099999999999999 108.91 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.61 66.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.727 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.51 44.45 2.97 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.363 -0.836 . . . . 1.3600000000000001 110.317 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.01 149.98 96.29 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.892 -1.13 . . . . 1.6200000000000001 108.202 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 CA-C-O 117.993 -0.92 . . . . 3.2000000000000002 111.889 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.605 -0.517 . . . . 22.98 109.605 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.65 140.4 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 20.300000000000001 109.006 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 -172.05 3.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 18.48 109.46 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.477 ' CG1' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -110.01 -97.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.626 -0.671 . . . . 17.93 109.381 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' H ' ' CG1' ' A' ' 4' ' ' ILE . 86.6 m-85 -66.87 -38.0 85.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.88 . . . . 17.699999999999999 110.532 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 t -79.1 108.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.919 -1.113 . . . . 15.300000000000001 109.346 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 tt -159.98 -41.41 0.05 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 16.149999999999999 109.404 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.51 121.44 10.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.167 -0.958 . . . . 14.359999999999999 109.902 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.02 74.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 12.699999999999999 109.704 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -67.18 140.04 57.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.402 -0.811 . . . . 13.279999999999999 109.572 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' CD2' ' H ' ' A' ' 12' ' ' ASP . 4.2 t60 -159.6 163.23 35.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 11.539999999999999 109.105 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 94.6 m-20 -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.177 -0.952 . . . . 10.08 110.146 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 140.02 57.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.204 -0.935 . . . . 9.1199999999999992 109.913 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -152.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 5.6500000000000004 109.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.55 -38.6 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 5.46 109.341 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -130.65 121.09 24.95 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.352 -0.843 . . . . 3.4500000000000002 109.585 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.89 -10.77 38.4 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 2.4100000000000001 109.733 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.01 -41.09 91.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 2.3799999999999999 110.199 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -59.88 -44.05 94.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 1.24 110.034 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.72 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 1.05 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 1.0600000000000001 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.8100000000000001 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 1.4199999999999999 109.526 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 1.03 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.478 HD22 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.28000000000000003 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 4.29 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.3899999999999999 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 1.1000000000000001 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.1399999999999999 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 2.2000000000000002 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.79 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.38 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 1.3300000000000001 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.8100000000000001 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.3500000000000001 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 2.29 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 1.4199999999999999 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' CE ' HD22 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.5499999999999998 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.97 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 1.3200000000000001 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 1.1599999999999999 109.544 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.95 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 3.3799999999999999 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.5900000000000001 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 1.1799999999999999 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.6400000000000001 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.47999999999999998 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 1.0700000000000001 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 2.2599999999999998 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 1.1799999999999999 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 1.05 108.159 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.1699999999999999 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 1.1100000000000001 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.531 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.94 94.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 1.0700000000000001 109.58 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.87 78.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 1.3600000000000001 109.693 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.15 149.99 89.7 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 1.6200000000000001 109.101 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 117.909 -0.955 . . . . 3.2000000000000002 111.919 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.237 -0.653 . . . . 22.98 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.98 -40.55 89.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 20.300000000000001 109.637 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.3 158.49 29.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 18.48 109.355 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.441 HG12 ' H ' ' A' ' 6' ' ' VAL . 11.4 tt -150.4 149.14 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.141 -0.975 . . . . 17.93 109.379 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -60.18 -40.2 89.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.179 -0.951 . . . . 17.699999999999999 109.958 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' H ' HG12 ' A' ' 4' ' ' ILE . 4.0 m -103.15 126.94 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.369 -0.832 . . . . 15.300000000000001 109.353 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.84 115.8 30.82 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.38 -0.825 . . . . 16.149999999999999 108.792 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.65 -6.5 12.75 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.77 . . . . 14.359999999999999 109.49 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.46 110.11 16.1 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.971 -0.751 . . . . 12.699999999999999 108.971 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -111.78 127.32 55.77 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.472 -0.767 . . . . 13.279999999999999 109.275 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -140.04 10.32 2.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.348 -0.845 . . . . 11.539999999999999 109.394 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -60.58 -39.94 89.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.92 . . . . 10.08 109.771 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -168.51 -50.08 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 9.1199999999999992 109.057 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.01 78.18 9.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.377 -0.827 . . . . 5.6500000000000004 109.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.44 -45.14 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.301 -0.874 . . . . 5.46 108.972 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -141.27 162.57 35.17 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.226 -0.921 . . . . 3.4500000000000002 109.536 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.74 -0.92 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 2.4100000000000001 109.147 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -60.08 -40.26 88.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.422 -0.799 . . . . 2.3799999999999999 109.792 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t -60.11 -46.47 89.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 1.24 109.685 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.72 108.192 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 1.05 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 1.0600000000000001 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.8100000000000001 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 1.0800000000000001 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 1.4199999999999999 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 1.03 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.28000000000000003 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 4.29 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.3899999999999999 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 1.1000000000000001 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.1399999999999999 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 2.2000000000000002 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.79 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.38 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 1.3300000000000001 109.096 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.8100000000000001 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.3500000000000001 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 2.29 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 1.4199999999999999 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.5499999999999998 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.97 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 1.3200000000000001 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 1.1599999999999999 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.95 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 3.3799999999999999 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.5900000000000001 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 1.1799999999999999 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.6400000000000001 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.47999999999999998 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 1.0700000000000001 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 2.2599999999999998 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 1.1499999999999999 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 1.1799999999999999 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 1.05 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.1699999999999999 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 1.1100000000000001 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.9099999999999999 109.33 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.77 -27.64 67.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.688 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.07 91.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.3600000000000001 109.987 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.06 149.96 96.22 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.998 -1.063 . . . . 1.6200000000000001 109.146 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.493 1.446 0 CA-C-O 118.004 -0.915 . . . . 3.2000000000000002 111.821 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.43 -0.581 . . . . 22.98 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 0.3 57.57 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.286 -0.884 . . . . 20.300000000000001 108.967 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.96 131.43 39.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.415 -0.803 . . . . 18.48 109.668 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 pt -138.48 172.29 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.37 -0.831 . . . . 17.93 108.965 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -49.91 137.58 16.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.952 -1.093 . . . . 17.699999999999999 108.962 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.95 134.87 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.86 . . . . 15.300000000000001 110.137 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 4.1 pp -168.45 -12.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.404 -0.81 . . . . 16.149999999999999 109.312 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 9' ' ' ALA . 36.1 p-10 -70.6 -39.43 73.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.479 -0.763 . . . . 14.359999999999999 110.236 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -91.81 151.97 20.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.256 -0.902 . . . . 12.699999999999999 110.467 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASP . 97.8 mt-30 -81.23 165.38 21.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.481 -0.762 . . . . 13.279999999999999 109.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -41.89 91.45 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.51 -0.744 . . . . 11.539999999999999 110.491 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' GLN . 95.6 m-20 -61.84 -40.01 93.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.509 -0.744 . . . . 10.08 109.8 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 5.5 pm0 -58.19 -19.98 37.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 9.1199999999999992 110.156 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 126.23 21.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.918 -1.114 . . . . 5.6500000000000004 108.829 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.32 -49.99 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 5.46 110.066 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 23.6 p-10 -174.85 -166.45 0.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.208 -0.933 . . . . 3.4500000000000002 109.634 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.36 -108.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 2.4100000000000001 109.488 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.89 -19.62 63.41 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.945 . . . . 2.3799999999999999 110.214 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -60.03 -39.95 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.213 -0.929 . . . . 1.24 109.725 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.72 109.441 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.05 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.8100000000000001 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 1.0800000000000001 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 1.4199999999999999 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 1.03 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.28000000000000003 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 4.29 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.3899999999999999 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 1.1000000000000001 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.679 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.1399999999999999 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 2.2000000000000002 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.79 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.38 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 1.3300000000000001 108.828 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.8100000000000001 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.3500000000000001 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 2.29 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 1.4199999999999999 110.527 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HZ2' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.5499999999999998 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.97 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 1.3200000000000001 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 1.1599999999999999 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.95 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 3.3799999999999999 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.5900000000000001 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 1.1799999999999999 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.6400000000000001 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.47999999999999998 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 1.0700000000000001 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 2.2599999999999998 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.1499999999999999 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 1.1799999999999999 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 1.05 107.929 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.1699999999999999 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 1.1100000000000001 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.592 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.64 -10.11 59.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 1.0700000000000001 108.843 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.01 66.89 1.04 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 1.3600000000000001 109.096 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.85 150.19 96.68 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.233 -0.917 . . . . 1.6200000000000001 109.091 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.489 1.223 0 C-N-CA 120.726 0.95 . . . . 3.2000000000000002 112.137 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.446 -0.575 . . . . 22.98 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -70.03 142.0 52.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 20.300000000000001 109.254 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.46 15.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.111 -0.993 . . . . 18.48 109.708 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pp -113.52 133.07 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.459 -0.776 . . . . 17.93 109.183 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.51 1.09 40.72 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.359 -0.838 . . . . 17.699999999999999 109.97 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 m -110.01 131.71 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.356 -0.84 . . . . 15.300000000000001 109.34 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.52 -47.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.251 -0.906 . . . . 16.149999999999999 108.732 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.125 -0.984 . . . . 14.359999999999999 109.455 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.5 -60.03 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 12.699999999999999 109.121 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -122.72 122.51 38.92 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.716 -0.846 . . . . 13.279999999999999 108.716 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.83 -50.02 68.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.984 -1.072 . . . . 11.539999999999999 109.831 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 15.2 t70 -172.56 177.56 2.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 10.08 109.144 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 55.8 mp0 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.07 -1.019 . . . . 9.1199999999999992 108.631 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 159.51 26.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.398 -0.813 . . . . 5.6500000000000004 108.836 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.03 160.02 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.313 -0.867 . . . . 5.46 109.719 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -84.66 179.35 7.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 3.4500000000000002 108.915 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.95 26.54 5.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.431 -0.793 . . . . 2.4100000000000001 109.948 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -110.91 -39.16 4.9 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.349 -0.844 . . . . 2.3799999999999999 110.47 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -61.24 -39.4 90.16 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.102 -0.999 . . . . 1.24 110.663 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.72 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 1.05 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 1.0600000000000001 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.8100000000000001 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 1.0800000000000001 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 1.4199999999999999 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.03 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.28000000000000003 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 4.29 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.3899999999999999 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 1.1000000000000001 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.1399999999999999 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 2.2000000000000002 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.79 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.38 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 1.3300000000000001 108.898 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.8100000000000001 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.3500000000000001 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 2.29 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 1.4199999999999999 110.457 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.5499999999999998 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.97 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 1.3200000000000001 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 1.1599999999999999 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.95 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 3.3799999999999999 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.5900000000000001 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 1.1799999999999999 109.938 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.6400000000000001 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.47999999999999998 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 1.0700000000000001 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 2.2599999999999998 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 1.1499999999999999 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 1.1799999999999999 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 1.05 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.1699999999999999 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 1.1100000000000001 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.336 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.95 66.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.207 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.31 88.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 1.3600000000000001 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.64 149.73 95.39 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.6200000000000001 108.612 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 CA-C-O 118.042 -0.899 . . . . 3.2000000000000002 111.864 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.358 -0.608 . . . . 22.98 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -66.88 141.61 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.319 -0.863 . . . . 20.300000000000001 109.475 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.04 71.43 1.3 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.1 -1.0 . . . . 18.48 109.376 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -97.58 -1.2 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.4 -0.813 . . . . 17.93 109.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.514 ' C ' ' H ' ' A' ' 7' ' ' LEU . 54.9 p90 -67.05 -9.96 44.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.965 -1.085 . . . . 17.699999999999999 109.676 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 8' ' ' ASN . 28.9 m -50.25 -9.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 15.300000000000001 109.821 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 5' ' ' PHE . 90.1 mt -73.0 12.44 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.07 -1.019 . . . . 16.149999999999999 109.474 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' A' ' 6' ' ' VAL . 97.6 m-20 -59.98 139.99 57.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.177 -0.952 . . . . 14.359999999999999 108.816 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.73 105.65 17.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.23 -0.919 . . . . 12.699999999999999 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -61.46 -39.89 92.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 13.279999999999999 108.873 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -78.26 -171.63 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.467 -0.771 . . . . 11.539999999999999 109.342 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -120.49 74.31 1.05 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.633 -0.667 . . . . 10.08 109.318 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -90.9 71.05 6.51 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.217 -0.927 . . . . 9.1199999999999992 109.398 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 111.21 19.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.06 -1.025 . . . . 5.6500000000000004 109.785 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p -60.71 -40.57 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.5 -0.75 . . . . 5.46 109.807 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -99.83 135.2 41.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.219 -0.926 . . . . 3.4500000000000002 109.327 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.88 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 2.4100000000000001 109.378 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -60.02 -44.83 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.258 -0.901 . . . . 2.3799999999999999 109.519 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t -61.61 -46.93 87.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 1.24 109.42 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.72 109.603 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 1.05 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 1.0600000000000001 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.8100000000000001 109.125 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 1.0800000000000001 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 1.4199999999999999 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 1.03 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.28000000000000003 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 4.29 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.3899999999999999 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 1.1000000000000001 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.1399999999999999 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 2.2000000000000002 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.79 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.38 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 1.3300000000000001 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.8100000000000001 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.3500000000000001 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 2.29 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 1.4199999999999999 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.5499999999999998 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.97 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 1.3200000000000001 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 1.1599999999999999 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.95 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 3.3799999999999999 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.5900000000000001 110.114 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 1.1799999999999999 110.423 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.6400000000000001 109.269 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.47999999999999998 110.759 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 1.0700000000000001 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 2.2599999999999998 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 1.1799999999999999 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 1.05 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.1699999999999999 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 1.1100000000000001 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.9099999999999999 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.36 82.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 110.306 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.82 92.35 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.982 -1.074 . . . . 1.3600000000000001 108.561 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.44 79.17 55.19 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.762 -0.586 . . . . 1.6200000000000001 109.504 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 C--N 1.314 -1.238 0 C-N-CA 120.985 1.123 . . . . 3.2000000000000002 111.889 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.113 -0.699 . . . . 22.98 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.73 120.0 37.32 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.397 -0.814 . . . . 20.300000000000001 109.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.69 148.59 26.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 18.48 109.544 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.59 -40.51 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.324 -0.86 . . . . 17.93 109.21 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.71 110.55 3.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 17.699999999999999 109.225 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.3 t -138.73 127.68 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.8 . . . . 15.300000000000001 109.548 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -70.38 132.79 46.16 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.294 -1.002 . . . . 16.149999999999999 108.294 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -59.92 139.7 57.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 14.359999999999999 108.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.67 159.34 27.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 12.699999999999999 109.647 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -76.65 -17.62 59.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.896 . . . . 13.279999999999999 108.94 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.0 -39.99 68.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 11.539999999999999 110.348 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -110.08 121.92 46.38 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.305 -0.872 . . . . 10.08 110.802 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -168.54 162.36 12.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 9.1199999999999992 109.307 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.78 54.28 2.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.161 -0.962 . . . . 5.6500000000000004 109.434 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.73 -8.49 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.35 -0.844 . . . . 5.46 109.574 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -48.06 113.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 3.4500000000000002 109.364 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.05 16.78 21.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.702 . . . . 2.4100000000000001 109.995 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -97.4 -41.66 8.12 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.005 -1.059 . . . . 2.3799999999999999 109.579 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m -78.0 -53.43 7.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.319 -0.863 . . . . 1.24 109.862 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.72 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 1.05 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 1.0600000000000001 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.8100000000000001 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 1.0800000000000001 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 1.4199999999999999 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 1.03 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.28000000000000003 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 4.29 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.3899999999999999 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.1399999999999999 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.2000000000000002 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.79 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.38 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 1.3300000000000001 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.419 ' H ' HG13 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.8100000000000001 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.3500000000000001 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 2.29 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 1.4199999999999999 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.5499999999999998 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.97 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 1.3200000000000001 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 1.1599999999999999 109.23 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.95 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 3.3799999999999999 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.5900000000000001 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 1.1799999999999999 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.6400000000000001 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.47999999999999998 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 1.0700000000000001 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 2.2599999999999998 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 1.1499999999999999 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 1.1799999999999999 109.212 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 1.05 108.995 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.1699999999999999 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 1.1100000000000001 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.9099999999999999 109.224 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.91 2.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.996 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.1 -59.88 2.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.97 -1.081 . . . . 1.3600000000000001 108.886 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' H ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -72.69 155.68 90.67 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 108.649 -0.871 . . . . 1.6200000000000001 108.649 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.754 0.969 . . . . 3.2000000000000002 111.954 179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.364 -0.606 . . . . 22.98 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -80.19 133.31 36.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 20.300000000000001 109.191 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.78 -6.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.251 -0.906 . . . . 18.48 109.417 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' PHE . 33.8 pt -93.07 157.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.16 -0.962 . . . . 17.93 109.523 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' ILE . 29.6 t80 -60.0 -119.8 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 17.699999999999999 109.2 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m -152.05 112.21 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.663 -1.273 . . . . 15.300000000000001 109.293 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 pp -169.37 -44.26 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.119 -0.988 . . . . 16.149999999999999 110.207 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.12 -39.86 86.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.906 -1.121 . . . . 14.359999999999999 109.373 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 99.27 8.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.533 -0.73 . . . . 12.699999999999999 109.999 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -70.28 -30.04 66.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 13.279999999999999 109.64 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 41.5 p-80 -93.47 113.23 25.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.208 -0.932 . . . . 11.539999999999999 110.261 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -113.1 10.79 18.75 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.593 -0.692 . . . . 10.08 109.36 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.95 140.21 57.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.259 -0.9 . . . . 9.1199999999999992 110.082 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.4 -11.57 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 5.6500000000000004 109.178 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.17 -39.91 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.546 -0.721 . . . . 5.46 109.266 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -138.25 156.03 48.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -0.821 . . . . 3.4500000000000002 109.441 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.45 -35.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.507 -0.745 . . . . 2.4100000000000001 109.074 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.04 -39.88 87.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.851 . . . . 2.3799999999999999 109.342 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -40.2 88.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.404 -0.81 . . . . 1.24 109.599 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.72 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 1.05 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 1.0600000000000001 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.8100000000000001 108.841 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 1.4199999999999999 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 1.03 109.753 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' LYS . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.28000000000000003 110.128 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 4.29 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.3899999999999999 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 1.1000000000000001 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.1399999999999999 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 2.2000000000000002 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.79 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.38 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 1.3300000000000001 108.972 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.8100000000000001 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.3500000000000001 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 2.29 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 1.4199999999999999 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.5499999999999998 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.97 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 1.3200000000000001 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 1.1599999999999999 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.95 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 3.3799999999999999 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.5900000000000001 109.89 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 1.1799999999999999 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.6400000000000001 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.47999999999999998 109.354 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 1.0700000000000001 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 2.2599999999999998 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 1.1799999999999999 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 1.05 109.257 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.1699999999999999 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 1.1100000000000001 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.9099999999999999 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.86 87.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.334 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.64 -4.07 10.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 1.3600000000000001 109.523 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.3 mt -129.99 77.54 76.43 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.457 -0.777 . . . . 1.6200000000000001 109.443 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo . . . . . 0 N--CA 1.491 1.374 0 C-N-CA 120.963 1.109 . . . . 3.2000000000000002 112.174 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.791 -0.818 . . . . 22.98 108.791 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.98 -39.94 91.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.508 -0.745 . . . . 20.300000000000001 109.414 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.94 154.02 23.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.544 -0.723 . . . . 18.48 109.411 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 2.8 mp -102.31 142.48 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.314 -0.866 . . . . 17.93 109.151 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.91 127.14 15.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.369 -0.832 . . . . 17.699999999999999 109.268 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.48 36.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 108.144 -1.058 . . . . 15.300000000000001 108.144 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.83 157.96 29.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 16.149999999999999 109.336 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -69.65 64.5 0.19 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.36 -0.838 . . . . 14.359999999999999 109.606 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.81 160.0 35.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 12.699999999999999 109.28 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -100.19 136.8 39.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.254 -0.904 . . . . 13.279999999999999 109.641 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' CD2' ' OD1' ' A' ' 12' ' ' ASP . 41.4 p-80 -61.99 -39.64 92.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.131 -0.981 . . . . 11.539999999999999 109.224 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -76.21 140.79 41.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.341 -0.85 . . . . 10.08 109.448 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -63.82 -40.06 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 9.1199999999999992 109.744 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.25 138.02 53.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 5.6500000000000004 109.569 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.16 -39.93 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.232 -0.918 . . . . 5.46 109.59 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -129.36 140.38 51.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.473 -0.767 . . . . 3.4500000000000002 109.598 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.96 -80.88 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.21 -0.931 . . . . 2.4100000000000001 109.505 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 2.3799999999999999 109.498 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -56.43 -30.78 63.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.363 -0.835 . . . . 1.24 110.203 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.72 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 1.05 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 1.0600000000000001 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.8100000000000001 108.682 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 1.0800000000000001 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 1.4199999999999999 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 1.03 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.28000000000000003 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 4.29 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.3899999999999999 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 1.1000000000000001 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.1399999999999999 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 2.2000000000000002 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.79 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.38 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 1.3300000000000001 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.8100000000000001 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.3500000000000001 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 2.29 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 1.4199999999999999 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.5499999999999998 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.97 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 1.3200000000000001 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 1.1599999999999999 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.95 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 3.3799999999999999 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.5900000000000001 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 1.1799999999999999 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.6400000000000001 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.47999999999999998 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 1.0700000000000001 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 2.2599999999999998 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 1.1499999999999999 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 1.1799999999999999 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 57' ' ' ILE . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 1.05 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.1699999999999999 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 1.1100000000000001 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.9099999999999999 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.22 67.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 109.404 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.4 82.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.345 -0.847 . . . . 1.3600000000000001 110.083 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 mt -60.29 148.03 80.29 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.171 -0.955 . . . . 1.6200000000000001 109.281 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 118.014 -0.911 . . . . 3.2000000000000002 111.94 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.447 -0.575 . . . . 22.98 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -99.74 120.33 39.55 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.166 -0.959 . . . . 20.300000000000001 109.136 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 -35.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.238 -0.914 . . . . 18.48 109.465 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.14 159.05 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.428 -0.795 . . . . 17.93 109.763 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -108.28 -29.64 8.77 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.323 -0.861 . . . . 17.699999999999999 109.442 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -114.95 121.65 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.622 -0.673 . . . . 15.300000000000001 110.437 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tt -147.7 119.66 8.19 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.684 -0.858 . . . . 16.149999999999999 108.684 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.84 137.53 32.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.882 -1.136 . . . . 14.359999999999999 109.146 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.18 93.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 12.699999999999999 110.204 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.567 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -68.06 -19.6 64.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.168 -0.957 . . . . 13.279999999999999 109.877 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -0.06 56.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 11.539999999999999 109.575 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 9.9 t70 -153.39 -121.22 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 10.08 109.796 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 52.6 tp10 -60.56 139.9 57.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 9.1199999999999992 109.938 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.09 151.11 27.63 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.807 -0.812 . . . . 5.6500000000000004 108.807 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 54.5 t -60.04 -49.95 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.16 -0.962 . . . . 5.46 109.474 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 69.7 m-20 -154.35 84.54 1.12 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.254 -0.904 . . . . 3.4500000000000002 109.587 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.91 -18.05 28.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.219 -0.925 . . . . 2.4100000000000001 109.437 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -70.5 -19.35 62.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 2.3799999999999999 109.956 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 1.24 109.936 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.72 108.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 1.05 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 1.0600000000000001 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.0800000000000001 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 1.4199999999999999 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 1.03 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.28000000000000003 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HB3' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 4.29 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.3899999999999999 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 1.1000000000000001 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.1399999999999999 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 2.2000000000000002 109.909 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.79 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.38 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 1.3300000000000001 108.668 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.8100000000000001 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.3500000000000001 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 2.29 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 1.4199999999999999 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.5499999999999998 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.97 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 1.3200000000000001 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.95 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 3.3799999999999999 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.5900000000000001 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 1.1799999999999999 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.6400000000000001 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.47999999999999998 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 1.0700000000000001 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 2.2599999999999998 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 1.1499999999999999 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 1.1799999999999999 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 1.05 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.1699999999999999 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 1.1100000000000001 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.9099999999999999 109.538 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.25 84.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 1.0700000000000001 109.053 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.99 87.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.8 . . . . 1.3600000000000001 109.902 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.5 mt -70.04 148.21 96.02 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 1.6200000000000001 108.712 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 117.993 -0.919 . . . . 3.2000000000000002 111.903 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 22.98 108.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -87.08 123.04 31.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 20.300000000000001 108.718 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.94 -173.01 1.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.105 -0.997 . . . . 18.48 109.92 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' VAL . 97.3 mt -64.67 -20.48 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.791 . . . . 17.93 109.698 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -64.51 72.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 17.699999999999999 109.578 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 4' ' ' ILE . 89.0 t -105.29 169.57 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.522 -0.918 . . . . 15.300000000000001 108.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 95.6 mt -60.06 -40.35 89.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.049 -1.032 . . . . 16.149999999999999 109.247 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 33.8 m120 -159.31 113.72 2.38 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.893 -0.78 . . . . 14.359999999999999 108.893 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 42.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.122 -0.986 . . . . 12.699999999999999 110.129 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.521 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 1.3 pm0 -101.25 109.44 21.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.19 -0.944 . . . . 13.279999999999999 109.358 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.09 -41.3 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.863 -1.148 . . . . 11.539999999999999 110.151 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -173.58 19.15 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.197 -0.939 . . . . 10.08 109.515 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.89 -40.06 87.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.239 -0.913 . . . . 9.1199999999999992 109.848 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.38 -142.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.049 -1.032 . . . . 5.6500000000000004 110.073 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.93 150.56 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.536 -0.727 . . . . 5.46 109.584 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' OD1' ' OG ' ' A' ' 19' ' ' SER . 12.1 p-10 -138.77 159.71 41.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.393 -0.817 . . . . 3.4500000000000002 109.462 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 19' ' ' SER . . . -67.04 -38.4 85.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.186 -0.946 . . . . 2.4100000000000001 109.536 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.93 -0.28 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.333 -0.854 . . . . 2.3799999999999999 109.523 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 17' ' ' ALA . 58.6 m -60.02 -40.22 88.53 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.239 -0.913 . . . . 1.24 109.549 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.72 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 1.05 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 1.0600000000000001 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.8100000000000001 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 1.0800000000000001 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 1.4199999999999999 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 1.03 110.104 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.28000000000000003 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 4.29 109.157 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.3899999999999999 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 1.1000000000000001 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.1399999999999999 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 2.2000000000000002 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.79 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.38 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 1.3300000000000001 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.8100000000000001 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.3500000000000001 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 2.29 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 1.4199999999999999 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.5499999999999998 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.97 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 1.3200000000000001 109.058 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 1.1599999999999999 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' A' ' 42' ' ' ASN . 80.7 m-20 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.95 110.211 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 3.3799999999999999 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.5900000000000001 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 1.1799999999999999 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.6400000000000001 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.47999999999999998 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 1.0700000000000001 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 2.2599999999999998 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 1.1499999999999999 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 1.1799999999999999 109.598 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 1.05 111.159 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.1699999999999999 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 1.1100000000000001 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.9099999999999999 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.97 86.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 109.16 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.53 67.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 1.3600000000000001 109.376 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.3 mt -129.96 77.72 76.16 Favored Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.486 -0.759 . . . . 1.6200000000000001 109.405 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.938 1.092 . . . . 3.2000000000000002 112.187 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.353 -0.61 . . . . 22.98 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -69.98 149.58 47.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 20.300000000000001 109.149 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.66 49.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 18.48 109.25 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.521 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -130.21 157.31 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.498 -0.751 . . . . 17.93 109.851 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -151.87 -38.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 17.699999999999999 109.09 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.13 86.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 15.300000000000001 109.148 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 5.0 tt -69.63 -59.24 3.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.032 -1.043 . . . . 16.149999999999999 109.213 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 12.8 m120 -160.8 -26.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.136 -0.977 . . . . 14.359999999999999 109.412 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 169.41 24.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 12.699999999999999 109.576 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.44 159.95 28.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.85 . . . . 13.279999999999999 109.329 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 13' ' ' GLU . 59.4 t-80 -63.56 157.76 22.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.87 . . . . 11.539999999999999 109.557 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.67 42.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.388 -0.82 . . . . 10.08 109.47 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 11' ' ' HIS . 86.0 tt0 -59.97 -40.04 87.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.127 -0.983 . . . . 9.1199999999999992 108.977 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 158.39 13.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.384 -0.822 . . . . 5.6500000000000004 109.313 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -114.29 148.51 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.563 -0.711 . . . . 5.46 109.662 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.05 159.06 32.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 3.4500000000000002 110.06 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.19 -23.2 65.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 2.4100000000000001 109.493 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -53.67 -30.41 43.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.3799999999999999 109.285 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -51.87 -29.84 21.38 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.307 -0.87 . . . . 1.24 109.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.72 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 1.05 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 1.0600000000000001 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.8100000000000001 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.0800000000000001 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 1.4199999999999999 110.043 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 1.03 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.28000000000000003 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 4.29 110.071 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.3899999999999999 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 1.1000000000000001 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.1399999999999999 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 2.2000000000000002 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.79 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.38 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.457 ' CG2' ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 1.3300000000000001 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.544 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.8100000000000001 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.3500000000000001 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 2.29 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD2' ' CG2' ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 1.4199999999999999 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.5499999999999998 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.97 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 1.3200000000000001 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 1.1599999999999999 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.95 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 3.3799999999999999 109.638 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.5900000000000001 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 1.1799999999999999 110.258 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.6400000000000001 107.431 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.47999999999999998 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 1.0700000000000001 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 2.2599999999999998 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 1.1499999999999999 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 1.05 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.1699999999999999 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 1.1100000000000001 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.085 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.25 -19.24 65.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.258 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.3600000000000001 109.562 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.46 149.67 96.87 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 1.6200000000000001 108.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 120.729 0.953 . . . . 3.2000000000000002 111.893 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.06 -0.719 . . . . 22.98 109.06 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -68.52 -38.7 81.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.917 -1.114 . . . . 20.300000000000001 109.542 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.21 -70.5 0.1 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.865 . . . . 18.48 110.165 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -120.05 126.26 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.372 -0.83 . . . . 17.93 109.538 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.65 -18.84 10.77 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.705 -0.85 . . . . 17.699999999999999 108.705 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.04 159.94 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.448 -0.782 . . . . 15.300000000000001 109.148 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.02 139.92 57.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 16.149999999999999 109.426 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -160.04 157.52 28.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 14.359999999999999 109.23 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.61 -130.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.133 -0.979 . . . . 12.699999999999999 109.699 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.07 160.02 25.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.354 -0.841 . . . . 13.279999999999999 109.605 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -61.73 -6.07 2.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 11.539999999999999 109.643 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.98 148.53 35.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.213 -0.929 . . . . 10.08 109.327 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.37 133.36 56.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.908 . . . . 9.1199999999999992 109.398 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.53 -5.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.384 -0.822 . . . . 5.6500000000000004 109.224 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.51 -41.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 5.46 109.707 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 57.3 t0 -159.34 141.36 13.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 3.4500000000000002 109.393 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -91.87 1.29 57.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 2.4100000000000001 108.936 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -83.94 0.47 47.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 2.3799999999999999 109.986 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t -60.04 -44.86 94.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.94 -1.1 . . . . 1.24 109.141 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.72 108.731 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 1.05 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 1.0600000000000001 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.8100000000000001 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 1.0800000000000001 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 1.4199999999999999 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 1.03 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.452 HD22 ' CE ' ' A' ' 41' ' ' LYS . 17.9 t-20 -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.28000000000000003 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 4.29 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.3899999999999999 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.1399999999999999 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 2.2000000000000002 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.79 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.38 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 1.3300000000000001 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 35' ' ' GLY . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.8100000000000001 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.3500000000000001 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 2.29 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 1.4199999999999999 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' CE ' HD22 ' A' ' 28' ' ' ASN . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.5499999999999998 108.88 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.97 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 1.3200000000000001 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 1.1599999999999999 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.95 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 3.3799999999999999 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.5900000000000001 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 1.1799999999999999 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.6400000000000001 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.47999999999999998 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 1.0700000000000001 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 2.2599999999999998 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.1499999999999999 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 1.1799999999999999 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 1.05 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.1699999999999999 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 60' ' ' ILE . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 1.1100000000000001 110.028 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.65 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.347 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.52 64.11 1.56 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.352 -0.843 . . . . 1.3600000000000001 109.477 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.02 137.33 87.24 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.231 -0.918 . . . . 1.6200000000000001 108.556 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.491 1.336 0 CA-C-N 119.727 0.938 . . . . 3.2000000000000002 112.114 179.753 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.32 -0.622 . . . . 22.98 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.234 -0.916 . . . . 20.300000000000001 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.89 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.601 -0.687 . . . . 18.48 110.545 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.3 mt -82.7 142.16 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.497 -0.752 . . . . 17.93 110.111 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -59.97 142.69 53.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 17.699999999999999 109.097 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.17 -147.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 15.300000000000001 109.578 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.63 135.92 57.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.81 -1.181 . . . . 16.149999999999999 108.87 -179.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 11.4 m120 -128.05 155.31 44.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.396 -0.815 . . . . 14.359999999999999 109.646 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.88 14.01 9.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.31 -0.869 . . . . 12.699999999999999 109.339 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -59.93 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.208 -0.932 . . . . 13.279999999999999 109.579 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.46 -67.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.207 -0.933 . . . . 11.539999999999999 109.936 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.8 174.74 14.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.194 -0.941 . . . . 10.08 109.829 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.57 27.94 0.59 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.827 . . . . 9.1199999999999992 108.933 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.1 -16.63 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.42 -0.8 . . . . 5.6500000000000004 109.859 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.08 106.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.197 -0.939 . . . . 5.46 109.214 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -83.86 -24.65 30.79 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.352 -0.843 . . . . 3.4500000000000002 109.898 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.9 94.02 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.16 -0.963 . . . . 2.4100000000000001 109.845 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.04 -41.92 93.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 2.3799999999999999 109.652 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.536 ' HG ' ' N ' ' A' ' 20' ' ' LEU . 87.8 p -67.39 -41.18 85.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.31 -0.869 . . . . 1.24 110.087 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.536 ' N ' ' HG ' ' A' ' 19' ' ' SER . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.72 109.259 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 1.05 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 1.0600000000000001 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.8100000000000001 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 1.0800000000000001 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 1.4199999999999999 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 1.03 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.28000000000000003 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 4.29 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.3899999999999999 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 1.1000000000000001 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.1399999999999999 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 2.2000000000000002 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.79 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.38 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 1.3300000000000001 108.656 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.8100000000000001 109.916 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.3500000000000001 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 2.29 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 1.4199999999999999 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.5499999999999998 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.97 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 1.3200000000000001 108.963 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 1.1599999999999999 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.95 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 3.3799999999999999 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.5900000000000001 110.951 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 1.1799999999999999 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.6400000000000001 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.47999999999999998 109.221 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 1.0700000000000001 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 2.2599999999999998 110.845 -179.344 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 1.1499999999999999 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 1.1799999999999999 108.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 1.05 108.174 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.1699999999999999 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 1.1100000000000001 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 108.911 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.12 68.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.39 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.02 87.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 1.3600000000000001 109.899 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.7 148.07 98.84 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.149 -0.97 . . . . 1.6200000000000001 109.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 117.992 -0.92 . . . . 3.2000000000000002 111.929 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 tpp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.007 -0.738 . . . . 22.98 109.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -100.04 19.99 15.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.789 . . . . 20.300000000000001 108.986 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.46 -38.0 76.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.32 -0.862 . . . . 18.48 108.948 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -107.89 140.01 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 108.903 -0.777 . . . . 17.93 108.903 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -140.53 150.17 43.37 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.215 -0.928 . . . . 17.699999999999999 110.225 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' ASN . 82.7 t -129.56 130.58 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 109.17 -0.678 . . . . 15.300000000000001 109.17 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.1 mm? -67.12 72.33 0.11 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.333 -0.854 . . . . 16.149999999999999 109.168 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' VAL . 43.2 t30 -60.42 -42.84 96.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.411 -0.805 . . . . 14.359999999999999 109.725 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.26 131.3 40.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.1 -1.0 . . . . 12.699999999999999 109.43 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.5 pm0 -79.02 150.7 31.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.381 -0.824 . . . . 13.279999999999999 109.998 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.5 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 51.6 t-80 -141.78 63.87 1.41 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.436 -0.79 . . . . 11.539999999999999 109.419 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.9 -19.58 63.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 10.08 109.618 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -150.0 158.54 44.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.06 -1.025 . . . . 9.1199999999999992 109.934 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.84 63.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.288 -0.883 . . . . 5.6500000000000004 110.98 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 39.2 t -120.37 124.14 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 121.587 -0.696 . . . . 5.46 109.679 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 18' ' ' ASN . 96.1 m-20 -70.48 -20.24 62.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.214 -0.928 . . . . 3.4500000000000002 110.232 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 -5.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.125 -0.984 . . . . 2.4100000000000001 109.671 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 16' ' ' ASP . 24.6 m120 -61.12 -40.05 92.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.26 -0.9 . . . . 2.3799999999999999 109.949 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -59.94 -40.24 88.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.021 -1.05 . . . . 1.24 109.042 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.72 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 1.05 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 1.0600000000000001 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.8100000000000001 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 1.0800000000000001 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 1.4199999999999999 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 1.03 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.28000000000000003 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 4.29 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.3899999999999999 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 1.1000000000000001 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.1399999999999999 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 2.2000000000000002 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.79 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.38 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 1.3300000000000001 109.176 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.8100000000000001 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.3500000000000001 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 2.29 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 1.4199999999999999 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.5499999999999998 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.97 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 1.3200000000000001 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 1.1599999999999999 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.95 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 3.3799999999999999 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.5900000000000001 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 1.1799999999999999 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.6400000000000001 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.47999999999999998 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 1.0700000000000001 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 2.2599999999999998 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 1.1799999999999999 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 1.05 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.1699999999999999 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 1.1100000000000001 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.9099999999999999 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.08 91.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 1.0700000000000001 109.441 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.37 89.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 1.3600000000000001 108.95 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.77 150.01 83.65 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.846 -0.798 . . . . 1.6200000000000001 108.846 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 CA-C-O 117.995 -0.919 . . . . 3.2000000000000002 111.875 179.695 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.197 0.522 . . . . 22.98 109.755 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -94.48 116.55 28.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.212 -0.93 . . . . 20.300000000000001 108.832 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.13 112.85 0.46 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.33 -0.856 . . . . 18.48 109.377 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -168.12 -32.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.113 -0.992 . . . . 17.93 109.725 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.61 139.59 57.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.09 -1.006 . . . . 17.699999999999999 108.401 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.05 -47.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.133 -0.979 . . . . 15.300000000000001 110.189 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.0 mt -81.46 161.03 23.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.215 -0.928 . . . . 16.149999999999999 109.014 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -56.6 145.99 26.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.156 -0.965 . . . . 14.359999999999999 109.37 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . -68.21 -20.36 64.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.27 -0.894 . . . . 12.699999999999999 109.933 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.02 129.98 44.44 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.123 -0.986 . . . . 13.279999999999999 109.422 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 9' ' ' ALA . 79.5 m80 -110.36 113.76 26.68 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.518 -0.739 . . . . 11.539999999999999 109.396 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.0 t0 -170.14 -117.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.196 -0.94 . . . . 10.08 109.704 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 98.9 mt-10 -60.05 -39.43 85.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 9.1199999999999992 109.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 141.69 54.45 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.839 . . . . 5.6500000000000004 109.401 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 16' ' ' ASP . 33.0 m -130.01 160.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 109.016 -0.735 . . . . 5.46 109.016 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' A' ' 15' ' ' VAL . 95.6 m-20 -56.92 -118.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.789 . . . . 3.4500000000000002 109.688 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.59 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.806 -1.184 . . . . 2.4100000000000001 110.021 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.94 -22.75 63.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.445 -0.784 . . . . 2.3799999999999999 110.274 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.09 -41.41 92.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.079 -1.013 . . . . 1.24 110.076 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.72 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 1.05 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' CB ' ' HZ1' ' A' ' 24' ' ' LYS . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.8100000000000001 109.618 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 1.0800000000000001 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 1.4199999999999999 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 1.03 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.28000000000000003 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 4.29 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.3899999999999999 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 1.1000000000000001 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.1399999999999999 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 2.2000000000000002 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.79 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.38 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 1.3300000000000001 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.8100000000000001 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.3500000000000001 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 2.29 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 1.4199999999999999 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.5499999999999998 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.97 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 1.3200000000000001 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 1.1599999999999999 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.95 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 3.3799999999999999 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.5900000000000001 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 1.1799999999999999 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.6400000000000001 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.47999999999999998 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 1.0700000000000001 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 2.2599999999999998 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 1.1799999999999999 109.157 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 1.05 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.1699999999999999 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 1.1100000000000001 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.221 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 109.875 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.27 21.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.208 -0.932 . . . . 1.3600000000000001 110.769 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 3.1 pp -70.33 149.99 95.84 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 1.6200000000000001 109.014 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo . . . . . 0 N--CA 1.49 1.297 0 C-N-CA 120.693 0.928 . . . . 3.2000000000000002 112.333 179.645 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.189 -0.671 . . . . 22.98 109.189 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -69.37 140.48 54.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.191 -0.943 . . . . 20.300000000000001 109.276 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.38 -164.98 1.04 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 18.48 109.274 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.9 tt -59.97 -40.03 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.253 -0.904 . . . . 17.93 109.119 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -67.14 138.55 57.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.3 -0.875 . . . . 17.699999999999999 109.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 m -134.68 159.81 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.49 -0.756 . . . . 15.300000000000001 109.366 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -68.55 -40.06 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 16.149999999999999 109.447 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -78.73 160.32 27.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 14.359999999999999 109.581 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.39 -16.75 38.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.942 . . . . 12.699999999999999 109.275 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -159.63 160.35 34.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.43 -0.794 . . . . 13.279999999999999 109.167 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.701 ' HD1' ' H ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -103.69 109.21 20.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.366 -0.834 . . . . 11.539999999999999 109.424 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -171.05 118.2 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 10.08 109.235 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -140.64 -80.03 0.27 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.212 -0.93 . . . . 9.1199999999999992 109.783 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.11 158.49 26.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 5.6500000000000004 110.113 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.68 142.01 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.526 -0.734 . . . . 5.46 109.06 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.02 -22.54 63.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.13 -0.981 . . . . 3.4500000000000002 109.762 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 2.4100000000000001 109.981 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.42 -11.9 58.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.191 -0.943 . . . . 2.3799999999999999 110.294 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -59.98 -43.39 95.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.973 -1.08 . . . . 1.24 110.355 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.72 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 1.05 109.372 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 1.0600000000000001 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.8100000000000001 108.825 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 1.0800000000000001 109.12 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 1.4199999999999999 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 1.03 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.28000000000000003 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 4.29 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.3899999999999999 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 1.1000000000000001 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.1399999999999999 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 2.2000000000000002 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.79 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.38 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 1.3300000000000001 109.166 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.8100000000000001 109.718 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.3500000000000001 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 2.29 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 1.4199999999999999 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.5499999999999998 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.97 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 1.3200000000000001 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 1.1599999999999999 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.95 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 3.3799999999999999 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.5900000000000001 110.287 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 1.1799999999999999 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.6400000000000001 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.47999999999999998 109.377 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 1.0700000000000001 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 2.2599999999999998 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 1.1799999999999999 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 57' ' ' ILE . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 1.05 108.354 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 1.1100000000000001 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.9099999999999999 109.372 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.11 -10.59 59.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.84 68.32 1.0 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.232 -0.918 . . . . 1.3600000000000001 109.87 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.26 149.85 98.21 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 1.6200000000000001 108.852 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 118.071 -0.887 . . . . 3.2000000000000002 111.822 179.412 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.208 0.528 . . . . 22.98 109.719 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.99 -41.33 91.81 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 20.300000000000001 109.234 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.69 16.1 0.78 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.233 -0.917 . . . . 18.48 109.248 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 4' ' ' ILE . 35.3 mm -106.73 140.14 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.477 -0.764 . . . . 17.93 109.531 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -47.28 155.06 0.35 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.21 -0.931 . . . . 17.699999999999999 109.573 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.092 -1.005 . . . . 15.300000000000001 109.56 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.61 130.02 37.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.945 . . . . 16.149999999999999 109.053 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.35 -42.15 95.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 14.359999999999999 109.811 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.19 146.71 30.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 12.699999999999999 109.033 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.0 -30.83 70.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 13.279999999999999 109.218 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 81.3 t60 -144.04 -101.69 0.11 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.398 -0.814 . . . . 11.539999999999999 109.079 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 11' ' ' HIS . 10.8 t70 -70.56 152.18 44.23 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.219 -0.925 . . . . 10.08 109.649 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -60.33 -39.96 88.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 9.1199999999999992 109.204 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.85 145.78 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.898 -0.779 . . . . 5.6500000000000004 108.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.3 m -89.2 120.48 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.026 -1.046 . . . . 5.46 109.597 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.17 170.03 13.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 3.4500000000000002 109.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.73 -34.12 0.18 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.238 -0.914 . . . . 2.4100000000000001 109.581 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.01 -40.24 92.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 2.3799999999999999 109.861 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p -69.8 -40.89 75.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.088 -1.008 . . . . 1.24 109.356 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.72 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 1.05 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 1.0600000000000001 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.8100000000000001 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 1.0800000000000001 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 1.4199999999999999 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 1.03 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.28000000000000003 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 4.29 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.3899999999999999 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 1.1000000000000001 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' HB2' ' HZ1' ' A' ' 41' ' ' LYS . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.1399999999999999 108.121 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 2.2000000000000002 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.79 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.38 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 1.3300000000000001 109.137 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.8100000000000001 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.3500000000000001 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 2.29 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 1.4199999999999999 109.493 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HZ1' ' HB2' ' A' ' 32' ' ' ASP . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.5499999999999998 108.519 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.97 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 1.3200000000000001 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 1.1599999999999999 108.688 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.95 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 3.3799999999999999 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.5900000000000001 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 1.1799999999999999 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.6400000000000001 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.47999999999999998 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 1.0700000000000001 109.535 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 2.2599999999999998 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 1.1499999999999999 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 1.1799999999999999 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 1.05 109.638 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.1699999999999999 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 1.1100000000000001 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.303 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.68 -20.94 37.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 1.0700000000000001 109.321 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -3.41 58.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.19 -0.944 . . . . 1.3600000000000001 109.579 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.02 77.1 77.14 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.471 -0.768 . . . . 1.6200000000000001 109.434 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.49 1.267 0 C-N-CA 120.968 1.112 . . . . 3.2000000000000002 111.952 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.48 -0.563 . . . . 22.98 109.48 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.36 -40.03 92.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 20.300000000000001 109.927 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.94 133.61 28.74 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.245 -0.909 . . . . 18.48 109.863 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 2.1 mp -60.65 -40.54 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.281 -0.887 . . . . 17.93 109.048 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.64 160.68 37.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.405 -0.809 . . . . 17.699999999999999 109.234 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.62 131.44 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.602 -0.687 . . . . 15.300000000000001 109.226 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.95 -43.57 94.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.233 -0.917 . . . . 16.149999999999999 109.719 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' CG ' ' H ' ' A' ' 9' ' ' ALA . 19.7 t-20 -96.72 -121.13 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 14.359999999999999 109.796 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' H ' ' CG ' ' A' ' 8' ' ' ASN . . . -157.94 115.64 3.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.024 -1.047 . . . . 12.699999999999999 109.317 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -68.18 -39.98 82.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 13.279999999999999 110.339 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -91.28 67.67 5.81 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.972 -1.08 . . . . 11.539999999999999 109.941 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.014 -1.054 . . . . 10.08 109.784 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -151.6 159.93 43.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.231 -0.918 . . . . 9.1199999999999992 109.558 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.06 21.74 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 5.6500000000000004 109.628 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 160.0 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.55 -0.719 . . . . 5.46 109.198 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -83.97 120.4 26.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.098 -1.002 . . . . 3.4500000000000002 109.231 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.26 10.21 41.87 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.309 -0.87 . . . . 2.4100000000000001 109.684 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.93 -79.88 0.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.193 -0.942 . . . . 2.3799999999999999 109.931 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 1.24 110.106 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.72 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 1.05 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 1.0600000000000001 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.8100000000000001 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 1.0800000000000001 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 1.4199999999999999 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 1.03 109.338 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.28000000000000003 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 4.29 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.3899999999999999 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 1.1000000000000001 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.1399999999999999 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 2.2000000000000002 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.79 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.38 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 1.3300000000000001 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.8100000000000001 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.3500000000000001 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 2.29 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 1.4199999999999999 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.5499999999999998 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.97 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 1.3200000000000001 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 1.1599999999999999 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.95 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 49' ' ' THR . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 3.3799999999999999 110.87 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 48' ' ' LYS . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.5900000000000001 109.362 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 1.1799999999999999 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.6400000000000001 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.47999999999999998 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 1.0700000000000001 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 2.2599999999999998 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 1.1499999999999999 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 1.1799999999999999 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 1.05 108.188 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.1699999999999999 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 1.1100000000000001 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.53 73.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.383 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 1.3600000000000001 109.649 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 mt -70.12 148.63 96.03 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 1.6200000000000001 108.606 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.493 1.486 0 CA-C-O 118.018 -0.909 . . . . 3.2000000000000002 111.874 179.927 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.2 -0.667 . . . . 22.98 109.2 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -60.04 -40.38 89.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 20.300000000000001 109.62 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.04 160.03 35.37 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 18.48 109.62 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.08 -42.54 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 17.93 109.181 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -63.28 140.02 58.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.304 -0.873 . . . . 17.699999999999999 109.044 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.75 117.93 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.152 -0.967 . . . . 15.300000000000001 109.648 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 -40.8 9.86 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.586 -0.894 . . . . 16.149999999999999 108.586 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -152.82 157.94 41.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 14.359999999999999 109.148 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.32 146.81 50.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 12.699999999999999 109.428 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.95 -40.88 90.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.954 . . . . 13.279999999999999 109.083 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -140.24 168.77 19.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.43 -0.793 . . . . 11.539999999999999 109.104 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.35 77.13 0.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 10.08 109.416 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -79.87 131.88 35.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 9.1199999999999992 109.381 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.11 -129.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 5.6500000000000004 109.373 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.8 t -70.81 131.91 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.055 -1.028 . . . . 5.46 109.307 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.61 77.1 9.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 3.4500000000000002 109.695 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.03 -20.78 62.35 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.24 -0.912 . . . . 2.4100000000000001 109.248 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -60.09 -40.03 88.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.468 -0.77 . . . . 2.3799999999999999 109.945 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p -60.03 -43.28 95.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.077 -1.014 . . . . 1.24 109.369 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.72 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 1.05 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 1.0600000000000001 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.8100000000000001 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 1.0800000000000001 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 1.4199999999999999 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.03 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.28000000000000003 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 4.29 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.3899999999999999 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 1.1000000000000001 109.499 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.1399999999999999 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 2.2000000000000002 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.79 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.38 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 1.3300000000000001 109.527 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.8100000000000001 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.3500000000000001 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 2.29 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 1.4199999999999999 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.5499999999999998 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.97 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 1.3200000000000001 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 1.1599999999999999 109.018 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.95 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 3.3799999999999999 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.5900000000000001 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 1.1799999999999999 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.6400000000000001 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.47999999999999998 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 1.0700000000000001 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 2.2599999999999998 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 1.1799999999999999 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 1.05 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.1699999999999999 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 1.1100000000000001 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 64' ' ' LEU . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.9099999999999999 109.209 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.45 67.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.548 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.08 76.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.229 -0.92 . . . . 1.3600000000000001 109.477 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 pp -126.6 149.98 69.59 Favored Pre-proline 0 N--CA 1.5 2.049 0 N-CA-C 108.821 -0.807 . . . . 1.6200000000000001 108.821 -179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.494 1.5 0 CA-C-O 117.989 -0.921 . . . . 3.2000000000000002 111.878 179.849 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.407 -0.59 . . . . 22.98 109.407 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -69.25 145.6 53.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 20.300000000000001 109.584 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.02 139.98 57.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 18.48 109.86 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.56 126.27 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 109.168 -0.679 . . . . 17.93 109.168 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -80.69 109.72 15.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.017 -1.052 . . . . 17.699999999999999 109.359 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.96 138.54 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.269 -0.894 . . . . 15.300000000000001 108.915 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -159.96 160.02 32.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.204 -0.935 . . . . 16.149999999999999 109.761 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 31.1 m120 -153.92 2.06 0.24 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 14.359999999999999 109.587 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.67 -80.02 0.34 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.184 -0.948 . . . . 12.699999999999999 109.648 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -85.55 148.24 26.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 13.279999999999999 109.018 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.661 ' HD1' ' H ' ' A' ' 12' ' ' ASP . 27.6 t-80 -159.12 169.61 23.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.139 -0.976 . . . . 11.539999999999999 109.374 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.661 ' H ' ' HD1' ' A' ' 11' ' ' HIS . 53.1 t0 -55.81 -21.61 20.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.425 -0.797 . . . . 10.08 109.723 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -51.31 139.85 18.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.044 -1.035 . . . . 9.1199999999999992 109.771 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.69 -58.72 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.468 -0.77 . . . . 5.6500000000000004 109.473 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.36 122.06 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 109.297 -0.631 . . . . 5.46 109.297 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 29.1 p-10 -108.33 139.22 43.36 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.529 -0.732 . . . . 3.4500000000000002 109.656 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.69 2.05 49.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 2.4100000000000001 109.517 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -90.01 -79.95 0.33 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.12 -0.988 . . . . 2.3799999999999999 110.237 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.331 -0.855 . . . . 1.24 110.021 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.72 108.703 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 1.05 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 1.0600000000000001 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.8100000000000001 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 1.4199999999999999 109.644 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 1.03 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.28000000000000003 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 4.29 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.3899999999999999 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 1.1000000000000001 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.1399999999999999 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 2.2000000000000002 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.79 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.38 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 1.3300000000000001 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.8100000000000001 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.3500000000000001 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 2.29 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 1.4199999999999999 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.5499999999999998 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.97 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 1.3200000000000001 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 1.1599999999999999 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.95 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 3.3799999999999999 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.5900000000000001 109.397 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 1.1799999999999999 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.6400000000000001 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.47999999999999998 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 1.0700000000000001 110.66 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 2.2599999999999998 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 1.1499999999999999 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 1.1799999999999999 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 1.05 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.1699999999999999 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 1.1100000000000001 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.9099999999999999 109.486 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.89 75.86 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 1.0700000000000001 108.983 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.7 76.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 1.3600000000000001 109.518 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -72.19 148.43 91.31 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.307 -0.87 . . . . 1.6200000000000001 108.879 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 CA-C-O 117.95 -0.937 . . . . 3.2000000000000002 111.908 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.207 0.527 . . . . 22.98 109.591 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.64 140.02 55.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.313 -0.867 . . . . 20.300000000000001 109.242 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.48 -52.83 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.118 -0.989 . . . . 18.48 109.73 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.39 131.52 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.462 -0.773 . . . . 17.93 110.156 -179.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 8.7 m-85 -90.19 -168.78 2.21 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.245 -0.909 . . . . 17.699999999999999 108.959 179.046 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.09 -39.96 81.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 15.300000000000001 109.885 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 59.8 tp -136.01 129.74 32.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.245 -0.91 . . . . 16.149999999999999 109.663 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 35.0 m120 -154.63 101.73 2.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 14.359999999999999 109.426 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.9 -104.24 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.33 -0.856 . . . . 12.699999999999999 109.574 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.3 pm0 -80.34 151.21 29.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 13.279999999999999 109.355 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.479 ' NE2' ' OE1' ' A' ' 13' ' ' GLU . 3.5 t60 -135.0 106.4 6.8 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.625 -0.88 . . . . 11.539999999999999 108.625 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -70.12 -21.5 63.1 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.193 -0.942 . . . . 10.08 110.383 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' OE1' ' NE2' ' A' ' 11' ' ' HIS . 98.9 mt-10 -60.06 -40.02 88.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.993 -1.067 . . . . 9.1199999999999992 110.004 -179.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.08 44.69 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.079 -1.013 . . . . 5.6500000000000004 109.875 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.76 157.92 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.419 -0.8 . . . . 5.46 109.193 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' ASN . 36.1 p-10 -137.15 -138.03 0.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.101 -0.999 . . . . 3.4500000000000002 110.402 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.4 -29.93 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.749 -0.594 . . . . 2.4100000000000001 111.086 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ASP . 45.4 t30 -59.98 -39.99 87.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.002 -1.061 . . . . 2.3799999999999999 109.156 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -60.08 -41.03 91.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 1.24 110.295 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.72 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 1.05 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 1.0600000000000001 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.8100000000000001 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 1.4199999999999999 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 1.03 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.28000000000000003 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 4.29 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.3899999999999999 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 1.1000000000000001 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.1399999999999999 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 2.2000000000000002 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.79 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.38 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 1.3300000000000001 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.3500000000000001 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 2.29 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 1.4199999999999999 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.5499999999999998 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.97 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 1.3200000000000001 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 1.1599999999999999 108.774 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.95 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 3.3799999999999999 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.5900000000000001 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 1.1799999999999999 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.6400000000000001 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.47999999999999998 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 1.0700000000000001 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 2.2599999999999998 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 1.1499999999999999 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 1.1799999999999999 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 1.05 107.935 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.1699999999999999 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 1.1100000000000001 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.71 86.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.221 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.95 -5.52 17.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 1.3600000000000001 109.541 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 mt -130.06 77.21 76.9 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.483 -0.761 . . . . 1.6200000000000001 109.211 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 C-N-CA 121.017 1.145 . . . . 3.2000000000000002 112.275 -179.805 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.922 -0.769 . . . . 22.98 108.922 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.34 6.57 47.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.495 -0.753 . . . . 20.300000000000001 109.847 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.07 2.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 18.48 109.223 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.31 132.89 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 17.93 109.107 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.51 148.31 49.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 17.699999999999999 109.85 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.7 129.95 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.651 -0.87 . . . . 15.300000000000001 108.651 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.53 127.9 33.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 16.149999999999999 109.125 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 14.359999999999999 109.642 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.44 170.27 8.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.792 . . . . 12.699999999999999 109.725 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.74 150.45 46.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.362 -0.837 . . . . 13.279999999999999 109.535 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 12' ' ' ASP . 41.7 p-80 -60.02 -40.04 87.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 11.539999999999999 109.824 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -101.31 100.81 11.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.306 -0.871 . . . . 10.08 109.569 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.197 -0.939 . . . . 9.1199999999999992 109.188 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.12 146.58 24.54 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.392 -0.817 . . . . 5.6500000000000004 109.391 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 60.7 t -60.91 -49.97 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 5.46 108.757 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 79.0 m-20 -147.93 149.61 32.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.39 -0.819 . . . . 3.4500000000000002 109.621 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.15 -6.53 14.58 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.351 -0.843 . . . . 2.4100000000000001 109.774 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.54 -43.74 0.76 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.331 -0.856 . . . . 2.3799999999999999 109.901 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -40.96 90.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.979 -1.076 . . . . 1.24 109.863 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.72 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 1.05 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 1.0600000000000001 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.8100000000000001 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 1.4199999999999999 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 1.03 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.28000000000000003 110.962 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 4.29 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.3899999999999999 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 1.1000000000000001 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.1399999999999999 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 2.2000000000000002 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.79 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.38 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 1.3300000000000001 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.8100000000000001 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.3500000000000001 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 2.29 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 1.4199999999999999 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.5499999999999998 109.113 -178.334 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.97 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 1.3200000000000001 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.1599999999999999 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.95 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 3.3799999999999999 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.5900000000000001 109.629 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 1.1799999999999999 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.6400000000000001 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.47999999999999998 109.632 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 1.0700000000000001 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 2.2599999999999998 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 1.1499999999999999 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 1.1799999999999999 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 1.05 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.1699999999999999 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 1.1100000000000001 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.9099999999999999 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.7 21.25 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 1.0700000000000001 109.699 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.58 -25.89 0.37 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.014 . . . . 1.3600000000000001 110.153 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.62 112.96 3.53 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 1.6200000000000001 108.847 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-N 120.125 1.08 . . . . 3.2000000000000002 112.103 179.652 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.463 0.649 . . . . 22.98 109.306 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -153.44 171.89 17.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 20.300000000000001 109.196 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.74 146.34 4.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.171 -0.955 . . . . 18.48 109.358 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 pt -94.17 -166.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 17.93 109.978 -179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.95 -45.86 91.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.915 . . . . 17.699999999999999 109.636 -179.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.625 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 8.4 p -95.96 -154.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 15.300000000000001 108.667 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.625 ' H ' ' CG2' ' A' ' 6' ' ' VAL . 46.6 tp -55.6 148.18 16.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.749 -1.219 . . . . 16.149999999999999 109.382 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.521 ' C ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER -69.94 20.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 14.359999999999999 110.446 -179.2 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -55.33 141.45 35.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.105 -0.997 . . . . 12.699999999999999 109.243 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 11' ' ' HIS . 4.9 pp0? -67.4 -26.42 66.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 13.279999999999999 109.951 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 10' ' ' GLN . 85.2 t60 -59.7 136.1 57.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 11.539999999999999 109.648 -179.5 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.4 t0 -146.66 138.53 24.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.337 -0.852 . . . . 10.08 109.229 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 87.1 tt0 -139.97 131.52 27.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -0.903 . . . . 9.1199999999999992 109.551 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.6 -160.02 0.2 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.415 -0.803 . . . . 5.6500000000000004 108.856 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.41 112.09 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.021 -1.05 . . . . 5.46 109.023 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.4 -5.15 50.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.278 -0.889 . . . . 3.4500000000000002 109.705 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.44 40.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 2.4100000000000001 110.41 -179.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -101.27 -22.59 14.59 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.231 -0.918 . . . . 2.3799999999999999 110.923 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -67.71 -43.16 80.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.839 -1.163 . . . . 1.24 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.72 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 1.05 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.8100000000000001 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 1.0800000000000001 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 1.4199999999999999 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 1.03 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.28000000000000003 111.234 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 4.29 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.3899999999999999 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 1.1000000000000001 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.1399999999999999 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 2.2000000000000002 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.79 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.38 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 1.3300000000000001 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.8100000000000001 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.3500000000000001 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 2.29 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.5499999999999998 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.97 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 1.3200000000000001 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 1.1599999999999999 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.95 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HZ3' ' HG1' ' A' ' 49' ' ' THR . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 3.3799999999999999 110.561 -179.593 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.472 ' HG1' ' HZ3' ' A' ' 48' ' ' LYS . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.5900000000000001 109.536 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 1.1799999999999999 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.6400000000000001 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.47999999999999998 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 1.0700000000000001 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 2.2599999999999998 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 1.1499999999999999 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 1.1799999999999999 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 57' ' ' ILE . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 1.05 107.996 179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.1699999999999999 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 1.1100000000000001 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.9099999999999999 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.81 -12.96 60.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 1.0700000000000001 109.513 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.3 4.85 41.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 1.3600000000000001 110.596 -179.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -144.63 149.53 43.89 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 120.915 -1.116 . . . . 1.6200000000000001 109.335 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.493 1.471 0 CA-C-O 117.941 -0.941 . . . . 3.2000000000000002 112.019 179.679 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tmm? . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.195 0.521 . . . . 22.98 109.87 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -69.02 134.94 50.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -0.942 . . . . 20.300000000000001 109.707 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 158.74 38.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 18.48 109.282 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 tp -170.0 -24.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.394 -0.816 . . . . 17.93 109.017 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -75.46 -12.74 60.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.549 -0.72 . . . . 17.699999999999999 110.091 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.0 -39.95 83.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.218 -0.926 . . . . 15.300000000000001 108.757 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.7 mt -115.6 147.24 40.99 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.163 -0.68 . . . . 16.149999999999999 109.163 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.47 170.09 14.67 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.52 -0.737 . . . . 14.359999999999999 109.292 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 98.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 12.699999999999999 109.544 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.68 153.94 28.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 13.279999999999999 109.177 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -68.16 121.85 17.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.126 -0.984 . . . . 11.539999999999999 109.334 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -115.8 -120.05 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.583 -0.698 . . . . 10.08 109.633 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.95 -42.3 93.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 9.1199999999999992 109.553 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.89 171.29 4.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.372 -0.83 . . . . 5.6500000000000004 109.276 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.86 152.48 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 5.46 108.836 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -75.88 109.04 9.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 3.4500000000000002 109.472 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.67 9.44 21.01 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.023 -0.732 . . . . 2.4100000000000001 109.023 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -60.01 -40.24 88.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.149 -0.969 . . . . 2.3799999999999999 109.38 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.204 -0.935 . . . . 1.24 109.271 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.72 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 1.05 109.453 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 1.0600000000000001 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.8100000000000001 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 1.4199999999999999 108.166 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 1.03 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.28000000000000003 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 4.29 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.3899999999999999 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 1.1000000000000001 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.1399999999999999 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 2.2000000000000002 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.79 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.38 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 1.3300000000000001 109.368 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.8100000000000001 109.831 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.3500000000000001 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 2.29 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 1.4199999999999999 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.5499999999999998 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.97 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 1.3200000000000001 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 1.1599999999999999 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.95 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 3.3799999999999999 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.5900000000000001 110.831 -178.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 1.1799999999999999 110.483 -179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.6400000000000001 108.737 -179.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.47999999999999998 108.605 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 1.0700000000000001 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 2.2599999999999998 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 1.1499999999999999 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 1.1799999999999999 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 1.05 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.1699999999999999 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 1.1100000000000001 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.91 22.06 0.64 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.861 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.44 18.21 2.56 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 109.843 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -69.99 149.84 96.32 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.092 -1.005 . . . . 1.6200000000000001 108.96 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 CA-C-O 117.949 -0.938 . . . . 3.2000000000000002 111.95 179.715 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.258 0.552 . . . . 22.98 109.547 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.26 -40.03 92.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 20.300000000000001 109.398 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.26 150.9 41.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.345 -0.847 . . . . 18.48 109.51 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.41 75.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.371 -0.831 . . . . 17.93 108.788 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -60.96 -48.03 83.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.244 -0.91 . . . . 17.699999999999999 109.284 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 m -149.24 151.14 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.415 -0.803 . . . . 15.300000000000001 109.308 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.7 pt? -151.02 -33.11 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.218 -0.926 . . . . 16.149999999999999 109.591 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' HIS . 25.4 m120 -141.28 119.82 12.4 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.135 -0.978 . . . . 14.359999999999999 109.259 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.8 79.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.825 . . . . 12.699999999999999 110.154 -179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 15.8 pt20 -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 13.279999999999999 110.141 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 97.4 m-70 -156.19 172.99 17.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.077 -1.015 . . . . 11.539999999999999 109.09 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -100.02 3.5 44.23 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.294 -0.879 . . . . 10.08 110.194 -179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -146.5 10.31 1.09 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.858 -1.151 . . . . 9.1199999999999992 110.924 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 87.55 6.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.662 -1.274 . . . . 5.6500000000000004 109.698 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.83 -40.07 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 5.46 108.991 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.57 161.25 38.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 3.4500000000000002 109.369 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.71 -9.64 10.16 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.517 -0.739 . . . . 2.4100000000000001 109.311 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.98 -20.66 63.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -0.877 . . . . 2.3799999999999999 109.825 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 1.24 110.076 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.72 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 1.05 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 1.0600000000000001 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.8100000000000001 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 1.4199999999999999 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 1.03 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.405 HD22 ' CE ' ' A' ' 41' ' ' LYS . 21.4 t-20 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.28000000000000003 109.691 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 4.29 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.3899999999999999 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 1.1000000000000001 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.1399999999999999 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 2.2000000000000002 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.79 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.38 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 1.3300000000000001 109.426 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.8100000000000001 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.3500000000000001 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 2.29 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 1.4199999999999999 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' CE ' HD22 ' A' ' 28' ' ' ASN . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.5499999999999998 108.702 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.97 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 1.3200000000000001 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 1.1599999999999999 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.95 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 3.3799999999999999 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.5900000000000001 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 1.1799999999999999 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.6400000000000001 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.47999999999999998 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 1.0700000000000001 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 2.2599999999999998 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 1.1799999999999999 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' H ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 1.05 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.1699999999999999 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 1.1100000000000001 108.945 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.9099999999999999 110.856 -179.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . -59.99 -39.3 85.29 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 1.0700000000000001 109.337 -179.724 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.04 87.84 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.212 -0.93 . . . . 1.3600000000000001 109.592 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 mt -72.79 148.45 89.74 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.158 -0.964 . . . . 1.6200000000000001 108.628 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 117.974 -0.928 . . . . 3.2000000000000002 112.223 179.765 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 22.98 109.462 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.94 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 20.300000000000001 109.604 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 101.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.86 . . . . 18.48 108.973 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 4' ' ' ILE . 4.5 mp -60.92 -49.98 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.116 -0.99 . . . . 17.93 109.378 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.484 ' CD1' ' O ' ' A' ' 5' ' ' PHE . 58.8 t80 -172.41 -11.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 17.699999999999999 109.462 179.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.46 119.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.097 -1.002 . . . . 15.300000000000001 109.703 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.1 tp -120.43 -44.62 2.46 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.57 -0.707 . . . . 16.149999999999999 109.185 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.85 155.75 32.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 14.359999999999999 109.519 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.76 130.04 50.66 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.536 -0.728 . . . . 12.699999999999999 109.2 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -90.03 0.04 57.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.256 -0.903 . . . . 13.279999999999999 109.344 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.313 -0.867 . . . . 11.539999999999999 109.446 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 53.3 t0 -59.27 138.11 57.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -0.958 . . . . 10.08 109.299 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 75.1 mm-40 -119.14 143.78 47.01 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.635 -0.665 . . . . 9.1199999999999992 109.374 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.86 157.95 44.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.527 -0.733 . . . . 5.6500000000000004 109.397 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -110.11 127.83 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.594 -0.691 . . . . 5.46 109.348 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 56.2 t0 -123.42 131.11 53.55 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.58 -0.7 . . . . 3.4500000000000002 109.562 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -173.2 -75.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.4100000000000001 109.154 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -74.39 -11.04 60.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.332 -0.855 . . . . 2.3799999999999999 109.406 179.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -60.0 -37.25 79.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 1.24 109.627 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.72 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 1.05 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.0600000000000001 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.8100000000000001 108.854 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 1.4199999999999999 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 1.03 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.28000000000000003 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 4.29 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.3899999999999999 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.1399999999999999 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 2.2000000000000002 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.79 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.38 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 1.3300000000000001 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.511 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.8100000000000001 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.3500000000000001 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 2.29 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 1.4199999999999999 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.5499999999999998 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.97 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 1.3200000000000001 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 1.1599999999999999 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.95 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 3.3799999999999999 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' A' ' 52' ' ' GLY . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.5900000000000001 109.949 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 1.1799999999999999 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.6400000000000001 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.47999999999999998 108.596 178.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 1.0700000000000001 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 2.2599999999999998 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 1.1799999999999999 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 1.05 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.1699999999999999 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 1.1100000000000001 109.369 -178.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.9099999999999999 109.357 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.95 -20.36 15.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 1.0700000000000001 109.306 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.06 -4.06 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 1.3600000000000001 109.51 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.5 mt -130.08 77.18 76.92 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 121.47 -0.769 . . . . 1.6200000000000001 109.248 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 C-N-CA 120.977 1.118 . . . . 3.2000000000000002 112.153 -179.869 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.015 -0.735 . . . . 22.98 109.015 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -137.98 44.5 2.17 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.379 -0.826 . . . . 20.300000000000001 109.196 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.17 140.77 58.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.211 -0.931 . . . . 18.48 109.623 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.7 pt -137.07 -141.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 17.93 109.436 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -60.02 -34.25 73.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.057 -1.027 . . . . 17.699999999999999 109.273 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.1 m -129.12 159.69 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.891 -0.781 . . . . 15.300000000000001 108.891 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 1.5 pt? -73.22 137.77 45.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.126 -0.984 . . . . 16.149999999999999 109.849 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -80.07 135.26 36.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.137 -0.977 . . . . 14.359999999999999 109.103 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.25 14.11 0.05 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 12.699999999999999 109.542 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.56 139.94 57.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.273 -0.892 . . . . 13.279999999999999 109.324 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 14.6 t-160 -87.12 110.2 19.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 11.539999999999999 109.383 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 95.9 m-20 -139.4 150.02 44.79 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.532 -0.73 . . . . 10.08 109.473 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -154.1 159.53 41.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 9.1199999999999992 109.355 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.86 99.6 12.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.175 -0.953 . . . . 5.6500000000000004 109.169 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.0 p -146.23 142.79 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.284 -0.885 . . . . 5.46 109.432 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -84.18 110.03 18.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 3.4500000000000002 109.093 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.87 71.63 8.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 2.4100000000000001 109.442 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -159.9 -51.66 0.05 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.319 -0.863 . . . . 2.3799999999999999 109.331 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -61.12 -52.31 65.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 1.24 109.47 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.72 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 1.05 110.14 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 1.0600000000000001 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.8100000000000001 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 1.0800000000000001 109.134 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 1.4199999999999999 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 1.03 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.28000000000000003 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 4.29 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.3899999999999999 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 1.1000000000000001 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.1399999999999999 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 2.2000000000000002 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.79 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.38 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 1.3300000000000001 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.8100000000000001 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.3500000000000001 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' OG ' ' A' ' 37' ' ' SER . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 2.29 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 1.4199999999999999 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.5499999999999998 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.97 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 1.3200000000000001 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 1.1599999999999999 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.95 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 3.3799999999999999 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.5900000000000001 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 1.1799999999999999 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.6400000000000001 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.47999999999999998 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 1.0700000000000001 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 2.2599999999999998 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 1.1499999999999999 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 1.1799999999999999 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 1.05 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.1699999999999999 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 1.1100000000000001 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.9099999999999999 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.1 93.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.094 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.03 75.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 1.3600000000000001 109.569 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 150.01 95.33 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 1.6200000000000001 108.777 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 117.931 -0.945 . . . . 3.2000000000000002 111.924 179.847 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.205 -0.665 . . . . 22.98 109.205 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 4' ' ' ILE . 35.5 ttpt -149.23 158.96 44.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.794 . . . . 20.300000000000001 109.125 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.83 60.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 18.48 109.649 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 2' ' ' LYS . 18.6 tt -130.01 130.05 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.64 -0.874 . . . . 17.93 108.64 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -107.3 6.13 28.18 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.411 -0.806 . . . . 17.699999999999999 110.079 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.41 149.68 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.48 -0.762 . . . . 15.300000000000001 109.637 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.68 -108.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 16.149999999999999 109.332 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -101.07 59.9 0.92 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -0.898 . . . . 14.359999999999999 109.385 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -27.04 68.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.167 -0.958 . . . . 12.699999999999999 109.523 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.637 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -85.64 41.83 0.93 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.305 -0.872 . . . . 13.279999999999999 109.383 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.0 -43.22 95.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.142 -0.974 . . . . 11.539999999999999 108.811 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -93.05 87.63 5.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.267 -0.896 . . . . 10.08 109.267 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -70.66 145.38 50.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.119 . . . . 9.1199999999999992 109.82 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.75 170.0 8.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.593 -0.692 . . . . 5.6500000000000004 109.911 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 135.28 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.374 -0.829 . . . . 5.46 109.773 -179.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.92 138.22 57.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 3.4500000000000002 109.268 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 2.4100000000000001 110.103 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.76 -40.05 91.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 2.3799999999999999 110.158 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.0 -40.28 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.964 -1.085 . . . . 1.24 109.841 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.72 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 1.05 110.088 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 1.0600000000000001 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.8100000000000001 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.736 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD22 HH21 ' A' ' 29' ' ' ARG . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 1.4199999999999999 109.539 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 1.03 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.28000000000000003 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 4.29 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.3899999999999999 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 1.1000000000000001 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.1399999999999999 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 2.2000000000000002 109.583 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.79 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.38 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 1.3300000000000001 108.893 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.8100000000000001 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.3500000000000001 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 2.29 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 1.4199999999999999 110.649 -178.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.5499999999999998 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.97 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 1.3200000000000001 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 1.1599999999999999 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.95 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 3.3799999999999999 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.5900000000000001 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 1.1799999999999999 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.6400000000000001 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.47999999999999998 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 1.0700000000000001 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 2.2599999999999998 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 1.1799999999999999 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 1.05 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.1699999999999999 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 1.1100000000000001 109.4 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.9099999999999999 109.283 179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 -10.04 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.49 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.43 -56.07 11.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.3600000000000001 109.453 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.03 150.02 96.25 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 1.6200000000000001 109.179 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 118.0 -0.917 . . . . 3.2000000000000002 111.927 179.651 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.039 -1.097 . . . . 0.8 108.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.09 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.27 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 0.23 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.23 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.34 110.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 0.78 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 0.2 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.22 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 3.73 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.39 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 0.43 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.14 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 1.78 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.25 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.36 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 0.71 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.56 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.35 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 1.51 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 0.94 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.14 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.16 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 0.63 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 0.38 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.22 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 2.97 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.59 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 0.47 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.64 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.41 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 0.22 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 1.73 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 0.3 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 0.46 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 0.23 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.17 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 0.33 110.072 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 61' ' ' LEU . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.27 109.205 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.48 109.803 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.182 0.515 . . . . 0.8 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.09 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.27 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.23 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.23 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.34 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.78 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.2 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.22 109.652 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 3.73 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.39 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 0.43 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.14 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 1.78 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.25 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.36 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 0.71 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.56 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.35 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 1.51 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 0.94 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.14 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.16 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 0.63 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.38 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.22 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 2.97 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.59 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 0.47 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.64 108.133 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.41 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 0.22 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 1.73 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.3 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 0.46 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 0.23 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.17 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 0.33 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.27 108.91 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 0.48 109.727 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.238 0.542 . . . . 0.8 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.09 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 0.27 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.23 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.23 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.34 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 26' ' ' LEU . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 0.78 109.526 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 0.2 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.22 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 3.73 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.39 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 0.43 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.14 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 1.78 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.25 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.36 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 0.71 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.56 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.35 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 1.51 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 0.94 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' CE ' HD21 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.14 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.16 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.63 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 57' ' ' ILE . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.38 109.544 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.22 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 2.97 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.59 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 0.47 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.64 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 0.22 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 1.73 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 0.3 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.46 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 44' ' ' ILE . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 0.23 108.159 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.17 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 0.33 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 61' ' ' LEU . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.27 109.531 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 0.48 109.58 179.784 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.233 0.54 . . . . 0.8 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 20' ' ' LEU . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.09 108.192 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 0.27 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 0.23 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.23 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 0.34 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 0.78 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.2 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.22 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 3.73 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.39 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 0.43 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 1.78 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.25 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.36 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 0.71 109.096 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.56 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.35 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 1.51 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 0.94 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.14 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.16 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.63 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 0.38 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.22 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 2.97 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.59 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 0.47 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.64 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.41 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 0.22 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 1.73 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 0.3 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 0.46 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 0.23 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.17 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 0.33 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 61' ' ' LEU . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.27 109.33 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 0.48 109.688 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.225 0.536 . . . . 0.8 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.09 109.441 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 0.27 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 0.23 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.23 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 0.34 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 0.78 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.2 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.22 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 3.73 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.39 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 0.43 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 1.78 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.25 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.36 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 0.71 108.828 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.56 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.35 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 1.51 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CD2' HG12 ' A' ' 36' ' ' VAL . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 0.94 110.527 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HZ1' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.14 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.16 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 0.63 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 0.38 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.22 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 2.97 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.59 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 0.47 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.64 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.41 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 0.22 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 1.73 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.3 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 0.46 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 0.23 107.929 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.17 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 0.33 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 57' ' ' ILE . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.27 109.592 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 0.48 108.843 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.025 0.441 . . . . 0.8 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.09 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 0.27 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 0.23 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.23 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 0.34 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 0.78 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.2 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.22 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 3.73 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.39 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 0.43 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.14 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 1.78 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.25 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.36 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' TYR . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 0.71 108.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.56 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.35 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 1.51 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 0.94 110.457 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.14 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.16 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 0.63 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 0.38 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.22 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 2.97 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.59 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 50' ' ' VAL . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 0.47 109.938 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.64 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.41 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 0.22 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 1.73 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 0.3 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 0.46 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 0.23 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.17 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 0.33 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.27 109.336 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 0.48 109.207 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 0.8 109.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 ' NZ ' ' A' ' 24' ' ' LYS . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.09 109.603 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 0.27 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 0.23 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' NZ ' HD11 ' A' ' 20' ' ' LEU . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.23 109.125 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 0.34 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 0.78 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.2 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.22 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 3.73 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.39 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 0.43 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.14 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 1.78 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.25 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.36 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 0.71 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.56 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.35 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 1.51 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 0.94 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.14 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.16 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 0.63 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 0.38 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.22 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 2.97 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 52' ' ' GLY . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.59 110.114 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' GLU . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.47 110.423 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' VAL . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.64 109.269 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' H ' HG23 ' A' ' 49' ' ' THR . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.41 110.759 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 0.22 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 1.73 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 0.3 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.46 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 0.23 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.17 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 0.33 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.27 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.48 110.306 -179.765 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.142 0.496 . . . . 0.8 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.09 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 0.27 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 0.23 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.23 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 0.34 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 0.78 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 0.2 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.22 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 3.73 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.39 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 0.43 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.14 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 1.78 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.25 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.36 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 0.71 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.48 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.56 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.35 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 1.51 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 0.94 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.14 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.16 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 0.63 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 HD23 ' A' ' 56' ' ' LEU . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 0.38 109.23 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.22 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 2.97 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.59 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 0.47 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.64 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.41 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 0.22 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 1.73 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 0.3 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 44' ' ' ILE . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 0.46 109.212 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 HD11 ' A' ' 44' ' ' ILE . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 0.23 108.995 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.17 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 0.33 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 61' ' ' LEU . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.27 109.224 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.48 109.996 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.599 -0.519 . . . . 0.8 109.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.09 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 0.27 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 0.23 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.23 108.841 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 0.34 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 0.78 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 0.2 109.753 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.22 110.128 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 3.73 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.39 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 0.43 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.14 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 1.78 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.25 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.36 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 36' ' ' VAL . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 0.71 108.972 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.56 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.35 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 1.51 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 0.94 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.14 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.16 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 0.63 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 0.38 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.22 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 2.97 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.59 109.89 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 0.47 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.64 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.493 ' H ' HG23 ' A' ' 49' ' ' THR . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.41 109.354 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 0.22 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 1.73 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 0.3 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 0.46 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 HD11 ' HB1' ' A' ' 27' ' ' ALA . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 0.23 109.257 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.17 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 0.33 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.27 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.48 109.334 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.975 0.417 . . . . 0.8 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.09 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 0.27 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 0.23 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.23 108.682 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 0.34 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.78 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.2 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.22 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 3.73 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.39 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 0.43 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.14 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 1.78 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.25 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.36 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 0.71 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.56 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.35 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 1.51 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 0.94 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.14 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.16 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.63 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.38 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.22 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 2.97 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.59 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.47 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.64 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.41 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 0.22 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 1.73 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 0.3 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 0.46 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 0.23 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.17 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 0.33 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.48 109.404 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.221 0.534 . . . . 0.8 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.09 108.861 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 0.27 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 0.23 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.23 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.34 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.78 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 0.2 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.22 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 3.73 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.39 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 0.43 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.14 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 1.78 109.909 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.25 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.36 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 36' ' ' VAL . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 0.71 108.668 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.56 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.35 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 1.51 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.94 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.14 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.16 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 0.63 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.38 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.22 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 2.97 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.59 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 0.47 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.64 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.41 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 0.22 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 1.73 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.3 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 0.46 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 0.23 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.17 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 0.33 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 57' ' ' ILE . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.27 109.538 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 0.48 109.053 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.549 -0.537 . . . . 0.8 109.549 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.09 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 0.27 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 0.23 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.23 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.34 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 0.78 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 0.2 110.104 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.22 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 3.73 109.157 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.39 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 0.43 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.14 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.78 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.25 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.36 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 0.71 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.56 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.35 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 1.51 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.94 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.14 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.16 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 HD21 ' A' ' 56' ' ' LEU . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 0.63 109.058 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 0.38 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.22 110.211 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 2.97 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.59 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.47 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.64 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.41 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 0.22 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 1.73 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 0.3 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD21 HD23 ' A' ' 43' ' ' LEU . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 0.46 109.598 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.609 HD11 ' HB1' ' A' ' 27' ' ' ALA . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 0.23 111.159 -178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.17 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 0.33 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.27 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 0.48 109.16 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.292 -0.633 . . . . 0.8 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.09 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.27 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 0.23 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.23 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.34 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 HD23 HH21 ' A' ' 29' ' ' ARG . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 0.78 110.043 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 0.2 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.22 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.528 HH21 HD23 ' A' ' 26' ' ' LEU . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 3.73 110.071 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.39 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.43 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.14 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 1.78 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.25 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.36 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 0.71 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.56 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.35 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 1.51 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.584 ' CD2' HG22 ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 0.94 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.14 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.16 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 0.63 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 0.38 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.22 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 2.97 109.638 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.59 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 0.47 110.258 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 50' ' ' VAL . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.64 107.431 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.41 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 0.22 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 1.73 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 0.3 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 0.46 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 0.23 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.17 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 0.33 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.27 109.085 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 0.48 109.258 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.141 -0.689 . . . . 0.8 109.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.09 108.731 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.27 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 0.23 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.23 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 0.34 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.78 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 0.2 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.22 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 3.73 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.39 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.43 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.14 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 1.78 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.25 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.36 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 0.71 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.56 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.35 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 1.51 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 0.94 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.14 108.88 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.16 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.63 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.22 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 2.97 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.59 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 0.47 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.64 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.41 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 0.22 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 1.73 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.3 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 0.46 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 0.23 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.17 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 0.33 110.028 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.27 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.48 110.347 -179.331 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.134 0.492 . . . . 0.8 110.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.09 109.259 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 0.27 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 0.23 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.23 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 0.34 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 0.78 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.2 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.22 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 3.73 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.39 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.14 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 1.78 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.25 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.36 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 0.71 108.656 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.56 109.916 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.35 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 1.51 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.94 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.14 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.16 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 0.63 108.963 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 0.38 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.22 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 2.97 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.59 110.951 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 0.47 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.64 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.41 109.221 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 0.22 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 1.73 110.845 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.3 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 43' ' ' LEU . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 0.46 108.959 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 61' ' ' LEU . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 0.23 108.174 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.17 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 0.33 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 61' ' ' LEU . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.27 108.911 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 0.48 109.39 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.042 -0.725 . . . . 0.8 109.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.09 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 0.27 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 0.23 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.23 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 0.34 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 0.78 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 0.2 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.22 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 3.73 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.39 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 0.43 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.14 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 1.78 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.25 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.36 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 36' ' ' VAL . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 0.71 109.176 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.56 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.35 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 1.51 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 0.94 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.14 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.16 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 0.63 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 0.38 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.22 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 2.97 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.59 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.47 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.64 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.41 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 0.22 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 1.73 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 0.3 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.46 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 0.23 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.17 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 0.33 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.27 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 0.48 109.441 -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.076 -0.342 . . . . 0.8 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.09 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 0.27 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 0.23 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.23 109.618 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.34 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 0.78 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 0.2 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.22 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 3.73 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.39 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 0.43 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 1.78 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.25 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.36 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 0.71 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.56 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.35 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.51 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 0.94 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.14 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.16 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.63 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.38 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.22 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 2.97 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.59 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 0.47 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.64 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.41 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 0.22 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 1.73 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.3 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 HD21 HD23 ' A' ' 43' ' ' LEU . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.46 109.157 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 0.23 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.17 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 0.33 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.27 109.221 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 0.48 109.875 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.952 0.406 . . . . 0.8 110.355 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.09 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 0.27 109.372 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 0.23 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 47' ' ' ALA . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.23 108.825 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 0.34 109.12 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.78 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 0.2 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.22 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 3.73 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.39 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 0.43 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.14 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 1.78 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.25 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.36 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 0.71 109.166 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.401 ' H ' HG12 ' A' ' 36' ' ' VAL . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.56 109.718 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.35 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.51 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 0.94 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.14 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.16 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 0.63 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 0.38 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.22 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 24' ' ' LYS . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 2.97 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 52' ' ' GLY . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.59 110.287 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 0.47 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.64 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HG23 ' A' ' 49' ' ' THR . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.41 109.377 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 0.22 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 1.73 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 0.3 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 0.46 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 0.23 108.354 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.17 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 0.33 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.27 109.372 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 0.48 109.349 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 0.8 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.09 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 0.27 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 0.23 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.23 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.34 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 0.78 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 0.2 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.22 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 3.73 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.39 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 0.43 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.14 108.121 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 1.78 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.25 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.36 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 0.71 109.137 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.56 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.35 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 1.51 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 36' ' ' VAL . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 0.94 109.493 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.14 108.519 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.16 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 0.63 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 57' ' ' ILE . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.38 108.688 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.22 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 2.97 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.59 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 0.47 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.64 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.41 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 44' ' ' ILE . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 0.22 109.535 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 1.73 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.3 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.46 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 44' ' ' ILE . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 0.23 109.638 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.17 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 0.33 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.27 109.303 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 0.48 109.321 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.18 0.514 . . . . 0.8 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.09 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 0.27 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 0.23 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.23 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.34 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 0.78 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.2 109.338 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.22 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 3.73 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.39 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 0.43 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.14 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 1.78 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.25 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.36 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.71 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.56 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.35 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 1.51 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 0.94 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.14 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.16 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 0.63 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 0.38 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.22 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 2.97 110.87 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.59 109.362 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 0.47 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.64 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.41 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 0.22 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 1.73 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 0.3 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 0.46 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 ' HB1' ' A' ' 27' ' ' ALA . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 0.23 108.188 178.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.17 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 0.33 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.27 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 0.48 109.383 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.8 109.369 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.09 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 0.27 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 0.23 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.23 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 0.34 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 0.78 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 0.2 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.22 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 3.73 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.39 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 44' ' ' ILE . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 0.43 109.499 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 1.78 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.25 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.36 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 36' ' ' VAL . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 0.71 109.527 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.56 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.35 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 1.51 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 0.94 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.14 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.16 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 0.63 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 31' ' ' LEU . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 0.38 109.018 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.22 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 2.97 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.59 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.47 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.64 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.41 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 0.22 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 1.73 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.3 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 0.46 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 0.23 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.17 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 0.33 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.27 109.209 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.48 109.548 179.929 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.094 0.473 . . . . 0.8 110.021 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.09 108.703 -179.859 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.27 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 0.23 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.23 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 0.34 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 0.78 109.644 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 0.2 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.22 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 3.73 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.39 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 0.43 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.14 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 1.78 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.25 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.36 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 0.71 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.56 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.35 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 1.51 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 0.94 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.14 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.16 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 0.63 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 0.38 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.22 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 2.97 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.59 109.397 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 0.47 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.64 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.41 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 49' ' ' THR . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 0.22 110.66 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 1.73 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 0.3 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.46 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 0.23 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.17 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 0.33 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 57' ' ' ILE . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.27 109.486 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 0.48 108.983 179.641 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.052 0.453 . . . . 0.8 110.295 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.09 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 0.27 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.23 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.23 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 0.34 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 0.78 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 0.2 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.22 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 3.73 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.39 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 0.43 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.14 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 1.78 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.25 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.36 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 0.71 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.56 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.35 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 1.51 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 0.94 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.14 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.16 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 0.63 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 0.38 108.774 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.22 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 2.97 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.59 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 0.47 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.64 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.41 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 0.22 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 1.73 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.3 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 0.46 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 44' ' ' ILE . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 0.23 107.935 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.17 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 0.33 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.27 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 0.48 109.221 179.72 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.021 0.439 . . . . 0.8 109.863 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.09 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 0.27 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 0.23 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.23 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.34 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.78 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 0.2 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.22 110.962 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.466 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 3.73 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.39 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 0.43 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.14 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 1.78 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.25 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.36 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 0.71 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.56 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.35 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 1.51 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 0.94 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.14 109.113 -178.334 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.16 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 0.63 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.38 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.22 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 2.97 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.59 109.629 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 0.47 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.64 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' HG23 ' A' ' 49' ' ' THR . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 0.22 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 1.73 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 0.3 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 0.46 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 0.23 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.17 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 0.33 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.27 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 0.48 109.699 179.923 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.002 0.43 . . . . 0.8 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.09 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 0.27 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 0.23 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.23 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 0.34 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 0.78 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 0.2 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.22 111.234 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 3.73 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.39 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.14 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.78 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.25 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.36 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 0.71 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.56 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.35 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 1.51 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 0.94 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.14 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.16 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 0.63 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 0.38 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.22 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 2.97 110.561 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.59 109.536 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 0.47 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.64 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.41 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 0.22 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 1.73 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 0.3 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 0.46 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 0.23 107.996 179.2 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.17 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 0.33 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.27 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.48 109.513 -179.989 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.271 -0.64 . . . . 0.8 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.09 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 0.27 109.453 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.23 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.23 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.34 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 26' ' ' LEU . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 0.78 108.166 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 0.2 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.22 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 3.73 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.39 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 0.43 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.14 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 1.78 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.25 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.36 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 37' ' ' SER . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 0.71 109.368 179.692 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.56 109.831 -179.77 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.35 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 1.51 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 0.94 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.14 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.16 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 0.63 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 0.38 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.22 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 2.97 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 52' ' ' GLY . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.59 110.831 -178.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' GLU . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 0.47 110.483 -179.469 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' VAL . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.64 108.737 -179.121 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' H ' HG23 ' A' ' 49' ' ' THR . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.41 108.605 178.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 0.22 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 1.73 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 0.3 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 0.46 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 0.23 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.17 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 0.33 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.27 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.48 109.861 -179.869 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.135 0.493 . . . . 0.8 110.076 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.09 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 0.27 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.23 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.23 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.34 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 0.78 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.2 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.22 109.691 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 3.73 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.39 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 0.43 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.14 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 1.78 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.25 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.36 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 36' ' ' VAL . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 0.71 109.426 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.56 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.35 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 1.51 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 0.94 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.14 108.702 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.16 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 0.63 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 0.38 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.22 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 2.97 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.59 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 0.47 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.64 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.41 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 0.22 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 1.73 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 0.3 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 0.46 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 0.23 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.17 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 0.33 108.945 -179.47 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.27 110.856 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 0.48 109.337 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.627 -0.508 . . . . 0.8 109.627 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.09 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 0.27 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 0.23 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 47' ' ' ALA . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.23 108.854 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.34 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.78 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 0.2 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.22 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 3.73 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.39 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 0.43 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.14 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 1.78 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.25 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.36 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 0.71 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.56 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.35 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 1.51 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 0.94 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.14 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.16 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.63 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 0.38 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.22 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 2.97 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.59 109.949 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.47 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.64 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.41 108.596 178.812 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 0.22 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 1.73 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.3 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 0.46 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 0.23 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.17 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 0.33 109.369 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.27 109.357 179.657 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.48 109.306 179.869 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.382 0.61 . . . . 0.8 109.47 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.09 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 0.27 110.14 -179.778 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 0.23 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.23 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' ALA . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 0.34 109.134 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 0.78 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 0.2 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.22 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 3.73 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.39 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.43 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.14 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.686 ' HZ2' ' HB2' ' A' ' 33' ' ' LYS . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 1.78 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.25 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.36 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 0.71 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.56 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.529 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.35 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 40' ' ' TYR . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 1.51 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 0.94 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.14 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.16 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 0.63 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 0.38 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.653 HD21 HD12 ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.22 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 2.97 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.59 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 0.47 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.64 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.41 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 0.22 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 1.73 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 0.3 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 0.46 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 0.23 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.17 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 0.33 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.27 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 0.48 109.094 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.219 0.533 . . . . 0.8 109.841 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.09 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 0.27 110.088 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 0.23 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.23 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.34 109.736 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 0.78 109.539 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 0.2 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.22 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 3.73 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.39 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 0.43 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 1.78 109.583 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.25 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.36 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 0.71 108.893 179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.56 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.35 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 1.51 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CD1' HD12 ' A' ' 60' ' ' ILE . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.94 110.649 -178.826 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.14 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.16 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.63 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 0.38 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.22 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.97 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.59 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.47 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.64 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 0.22 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 1.73 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.3 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 0.46 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 0.23 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.17 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 40' ' ' TYR . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 0.33 109.4 -178.661 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 61' ' ' LEU . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.27 109.283 179.46 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.48 109.49 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.604 -0.517 . . . . 22.77 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.81 140.0 57.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 20.19 109.397 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.86 -37.85 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 18.43 109.239 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.1 mt -88.41 138.07 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.469 -0.769 . . . . 17.72 109.704 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.1 150.29 45.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 17.24 108.956 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -51.5 -54.82 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 15.09 110.021 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.96 125.83 30.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.075 -1.016 . . . . 15.83 109.01 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -157.98 162.42 38.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.274 -0.891 . . . . 14.06 109.307 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.17 0.64 51.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.267 -0.895 . . . . 12.57 109.82 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 59.9 tt0 -60.01 -50.04 75.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.008 -1.057 . . . . 12.83 109.73 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 41.4 m-70 -163.0 158.97 22.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.049 -1.032 . . . . 11.05 109.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -158.4 -176.82 6.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.732 -0.84 . . . . 10.08 108.732 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.93 -40.06 87.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.916 -1.115 . . . . 9.12 108.632 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.34 126.8 39.83 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.299 -1.001 . . . . 5.44 108.299 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.23 -178.14 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.386 -0.821 . . . . 5.04 110.135 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.23 -10.04 4.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.638 -0.664 . . . . 3.45 110.201 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.93 -59.69 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 2.03 109.351 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -89.89 70.0 7.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.056 -1.027 . . . . 2.24 109.0 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t -157.86 -49.26 0.07 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.039 -1.097 . . . . 0.8 108.039 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.09 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.27 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 0.23 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.23 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.34 110.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 0.78 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 0.2 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.22 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 3.73 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.39 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 0.43 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.14 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 1.78 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.25 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.36 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 0.71 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.56 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.35 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 1.51 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 0.94 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.14 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.16 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 0.63 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 0.38 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.22 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 2.97 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.59 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 0.47 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.64 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.41 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 0.22 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 1.73 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 0.3 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 0.46 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 0.23 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.17 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 0.33 110.072 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 61' ' ' LEU . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.27 109.205 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 64' ' ' LEU . . . -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.48 109.803 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 12.33 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.208 -0.933 . . . . 1.15 109.999 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 62' ' ' ALA . 82.0 mt -130.06 76.46 78.0 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.364 -0.835 . . . . 1.62 109.513 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 C-N-CA 120.956 1.104 . . . . 3.05 111.95 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.307 -0.627 . . . . 22.77 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -80.01 -10.4 59.77 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.02 -1.05 . . . . 20.19 109.629 -179.634 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.81 68.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 18.43 109.3 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.8 mt -121.01 130.08 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 109.395 -0.594 . . . . 17.72 109.395 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -127.78 98.05 5.04 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.41 -0.806 . . . . 17.24 109.446 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -148.47 -13.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 15.09 108.92 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.0 mp -70.01 -17.86 63.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.397 -0.814 . . . . 15.83 109.373 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -49.56 135.15 18.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.403 -0.811 . . . . 14.06 109.91 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.92 139.93 53.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.437 0.636 . . . . 12.57 109.574 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -71.0 147.9 48.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.37 -0.831 . . . . 12.83 109.026 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.92 97.22 0.1 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.026 -1.046 . . . . 11.05 109.292 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 56.4 t0 -152.1 140.21 20.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 10.08 109.083 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 99.3 mt-10 -79.25 130.06 35.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 9.12 109.502 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.41 138.3 47.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 5.44 109.075 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -101.84 128.77 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.226 -0.921 . . . . 5.04 109.059 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -101.06 171.08 7.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.374 -0.829 . . . . 3.45 109.357 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.38 60.42 6.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.953 . . . . 2.03 109.093 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -163.7 -52.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 2.24 109.654 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -62.53 -39.29 93.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.8 109.677 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.09 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.27 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.23 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.23 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.34 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.78 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.2 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.22 109.652 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 3.73 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.39 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 0.43 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.14 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 1.78 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.25 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.36 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 0.71 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.56 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.35 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 1.51 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 0.94 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.14 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.16 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 0.63 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.38 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.22 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 2.97 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.59 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 0.47 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.64 108.133 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.41 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 0.22 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 1.73 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.3 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 0.46 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 0.23 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.17 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 0.33 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.27 108.91 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.61 66.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 0.48 109.727 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.51 44.45 2.97 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.363 -0.836 . . . . 1.15 110.317 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.01 149.98 96.29 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.892 -1.13 . . . . 1.62 108.202 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 CA-C-O 117.993 -0.92 . . . . 3.05 111.889 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.605 -0.517 . . . . 22.77 109.605 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.65 140.4 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 20.19 109.006 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 -172.05 3.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 18.43 109.46 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' CG1' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -110.01 -97.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.626 -0.671 . . . . 17.72 109.381 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' H ' ' CG1' ' A' ' 4' ' ' ILE . 86.6 m-85 -66.87 -38.0 85.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.88 . . . . 17.24 110.532 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 t -79.1 108.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.919 -1.113 . . . . 15.09 109.346 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -159.98 -41.41 0.05 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 15.83 109.404 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.51 121.44 10.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.167 -0.958 . . . . 14.06 109.902 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.02 74.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 12.57 109.704 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -67.18 140.04 57.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.402 -0.811 . . . . 12.83 109.572 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -159.6 163.23 35.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 11.05 109.105 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.177 -0.952 . . . . 10.08 110.146 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 140.02 57.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.204 -0.935 . . . . 9.12 109.913 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -152.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 5.44 109.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.55 -38.6 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 5.04 109.341 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -130.65 121.09 24.95 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.352 -0.843 . . . . 3.45 109.585 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.89 -10.77 38.4 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 2.03 109.733 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.01 -41.09 91.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 2.24 110.199 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -59.88 -44.05 94.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.8 110.034 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.09 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 0.27 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.23 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.23 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.34 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 26' ' ' LEU . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 0.78 109.526 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 0.2 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.22 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 3.73 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.39 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 0.43 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.14 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 1.78 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.25 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.36 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 0.71 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.56 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.35 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 1.51 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 0.94 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' CE ' HD21 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.14 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.16 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.63 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 57' ' ' ILE . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.38 109.544 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.22 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 2.97 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.59 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 0.47 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.64 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 0.22 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 1.73 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 0.3 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.46 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 44' ' ' ILE . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 0.23 108.159 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.17 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 0.33 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 61' ' ' LEU . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.27 109.531 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.94 94.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 0.48 109.58 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.87 78.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 1.15 109.693 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.15 149.99 89.7 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 1.62 109.101 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 117.909 -0.955 . . . . 3.05 111.919 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.237 -0.653 . . . . 22.77 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.98 -40.55 89.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 20.19 109.637 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.3 158.49 29.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 18.43 109.355 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.512 HG12 ' H ' ' A' ' 6' ' ' VAL . 11.4 tt -150.4 149.14 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.141 -0.975 . . . . 17.72 109.379 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -60.18 -40.2 89.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.179 -0.951 . . . . 17.24 109.958 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 4' ' ' ILE . 4.0 m -103.15 126.94 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.369 -0.832 . . . . 15.09 109.353 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 9' ' ' ALA . 7.4 tt -106.84 115.8 30.82 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.38 -0.825 . . . . 15.83 108.792 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.65 -6.5 12.75 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.77 . . . . 14.06 109.49 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 7' ' ' LEU . . . -120.46 110.11 16.1 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.971 -0.751 . . . . 12.57 108.971 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -111.78 127.32 55.77 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.472 -0.767 . . . . 12.83 109.275 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -140.04 10.32 2.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.348 -0.845 . . . . 11.05 109.394 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -60.58 -39.94 89.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.92 . . . . 10.08 109.771 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -168.51 -50.08 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 9.12 109.057 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.01 78.18 9.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.377 -0.827 . . . . 5.44 109.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.44 -45.14 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.301 -0.874 . . . . 5.04 108.972 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -141.27 162.57 35.17 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.226 -0.921 . . . . 3.45 109.536 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.74 -0.92 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 2.03 109.147 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -60.08 -40.26 88.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.422 -0.799 . . . . 2.24 109.792 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t -60.11 -46.47 89.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.8 109.685 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 20' ' ' LEU . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.09 108.192 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 0.27 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 0.23 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.23 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 0.34 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 0.78 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.2 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.22 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 3.73 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.39 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 0.43 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 1.78 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.25 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.36 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 0.71 109.096 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.56 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.35 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 1.51 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 0.94 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.14 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.16 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.63 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 0.38 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.22 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 2.97 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.59 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 0.47 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.64 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.41 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 0.22 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 1.73 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 0.3 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 0.46 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 0.23 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.17 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 0.33 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 61' ' ' LEU . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.27 109.33 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.77 -27.64 67.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 0.48 109.688 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.07 91.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.15 109.987 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.06 149.96 96.22 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.998 -1.063 . . . . 1.62 109.146 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.493 1.446 0 CA-C-O 118.004 -0.915 . . . . 3.05 111.821 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.43 -0.581 . . . . 22.77 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 0.3 57.57 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.286 -0.884 . . . . 20.19 108.967 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.96 131.43 39.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.415 -0.803 . . . . 18.43 109.668 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 4' ' ' ILE . 27.9 pt -138.48 172.29 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.37 -0.831 . . . . 17.72 108.965 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -49.91 137.58 16.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.952 -1.093 . . . . 17.24 108.962 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.95 134.87 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.86 . . . . 15.09 110.137 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.1 pp -168.45 -12.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.404 -0.81 . . . . 15.83 109.312 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.641 ' N ' HD12 ' A' ' 7' ' ' LEU . 36.1 p-10 -70.6 -39.43 73.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.479 -0.763 . . . . 14.06 110.236 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -91.81 151.97 20.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.256 -0.902 . . . . 12.57 110.467 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASP . 97.8 mt-30 -81.23 165.38 21.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.481 -0.762 . . . . 12.83 109.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -41.89 91.45 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.51 -0.744 . . . . 11.05 110.491 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' GLN . 95.6 m-20 -61.84 -40.01 93.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.509 -0.744 . . . . 10.08 109.8 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 5.5 pm0 -58.19 -19.98 37.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 9.12 110.156 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 126.23 21.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.918 -1.114 . . . . 5.44 108.829 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.32 -49.99 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 5.04 110.066 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 23.6 p-10 -174.85 -166.45 0.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.208 -0.933 . . . . 3.45 109.634 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.36 -108.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 2.03 109.488 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.89 -19.62 63.41 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.945 . . . . 2.24 110.214 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -60.03 -39.95 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.213 -0.929 . . . . 0.8 109.725 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.09 109.441 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 0.27 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 0.23 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.23 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 0.34 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 0.78 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.2 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.22 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 3.73 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.39 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 0.43 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 1.78 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.25 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.36 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 0.71 108.828 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.56 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.35 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 1.51 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CD2' HG12 ' A' ' 36' ' ' VAL . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 0.94 110.527 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HZ1' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.14 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.16 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 0.63 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 0.38 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.22 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 2.97 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.59 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 0.47 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.64 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.41 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 0.22 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 1.73 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.3 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 0.46 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 0.23 107.929 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.17 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 0.33 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 57' ' ' ILE . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.27 109.592 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.64 -10.11 59.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 0.48 108.843 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.01 66.89 1.04 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 1.15 109.096 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.85 150.19 96.68 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.233 -0.917 . . . . 1.62 109.091 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.489 1.223 0 C-N-CA 120.726 0.95 . . . . 3.05 112.137 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.446 -0.575 . . . . 22.77 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -70.03 142.0 52.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 20.19 109.254 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.46 15.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.111 -0.993 . . . . 18.43 109.708 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pp -113.52 133.07 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.459 -0.776 . . . . 17.72 109.183 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.51 1.09 40.72 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.359 -0.838 . . . . 17.24 109.97 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' VAL . 25.3 m -110.01 131.71 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.356 -0.84 . . . . 15.09 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.52 -47.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.251 -0.906 . . . . 15.83 108.732 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.125 -0.984 . . . . 14.06 109.455 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.5 -60.03 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 12.57 109.121 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -122.72 122.51 38.92 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.716 -0.846 . . . . 12.83 108.716 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.83 -50.02 68.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.984 -1.072 . . . . 11.05 109.831 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 15.2 t70 -172.56 177.56 2.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 10.08 109.144 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 55.8 mp0 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.07 -1.019 . . . . 9.12 108.631 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 159.51 26.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.398 -0.813 . . . . 5.44 108.836 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.03 160.02 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.313 -0.867 . . . . 5.04 109.719 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -84.66 179.35 7.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 3.45 108.915 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.95 26.54 5.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.431 -0.793 . . . . 2.03 109.948 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -110.91 -39.16 4.9 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.349 -0.844 . . . . 2.24 110.47 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -61.24 -39.4 90.16 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.102 -0.999 . . . . 0.8 110.663 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.09 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 0.27 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 0.23 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.23 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 0.34 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 0.78 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.2 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.22 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 3.73 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.39 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 0.43 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.14 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 1.78 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.25 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.36 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' TYR . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 0.71 108.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.56 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.35 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 1.51 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 0.94 110.457 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.14 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.16 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 0.63 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 0.38 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.22 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 2.97 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.59 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 50' ' ' VAL . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 0.47 109.938 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.64 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.41 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 0.22 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 1.73 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 0.3 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 0.46 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 0.23 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.17 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 0.33 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.27 109.336 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.95 66.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 0.48 109.207 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.31 88.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 1.15 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.64 149.73 95.39 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.62 108.612 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 CA-C-O 118.042 -0.899 . . . . 3.05 111.864 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.358 -0.608 . . . . 22.77 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -66.88 141.61 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.319 -0.863 . . . . 20.19 109.475 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.04 71.43 1.3 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.1 -1.0 . . . . 18.43 109.376 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -97.58 -1.2 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.4 -0.813 . . . . 17.72 109.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 7' ' ' LEU . 54.9 p90 -67.05 -9.96 44.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.965 -1.085 . . . . 17.24 109.676 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' A' ' 8' ' ' ASN . 28.9 m -50.25 -9.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 15.09 109.821 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' PHE . 90.1 mt -73.0 12.44 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.07 -1.019 . . . . 15.83 109.474 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 6' ' ' VAL . 97.6 m-20 -59.98 139.99 57.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.177 -0.952 . . . . 14.06 108.816 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.73 105.65 17.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.23 -0.919 . . . . 12.57 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -61.46 -39.89 92.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 12.83 108.873 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -78.26 -171.63 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.467 -0.771 . . . . 11.05 109.342 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -120.49 74.31 1.05 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.633 -0.667 . . . . 10.08 109.318 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -90.9 71.05 6.51 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.217 -0.927 . . . . 9.12 109.398 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 111.21 19.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.06 -1.025 . . . . 5.44 109.785 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 16' ' ' ASP . 10.0 p -60.71 -40.57 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.5 -0.75 . . . . 5.04 109.807 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 15' ' ' VAL . 33.7 p-10 -99.83 135.2 41.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.219 -0.926 . . . . 3.45 109.327 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' ASN . . . -171.88 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 2.03 109.378 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' ALA . 14.1 t-20 -60.02 -44.83 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.258 -0.901 . . . . 2.24 109.519 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t -61.61 -46.93 87.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.8 109.42 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 ' NZ ' ' A' ' 24' ' ' LYS . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.09 109.603 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 0.27 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 0.23 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' NZ ' HD11 ' A' ' 20' ' ' LEU . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.23 109.125 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 0.34 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 0.78 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.2 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.22 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 3.73 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.39 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 0.43 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.14 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 1.78 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.25 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.36 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 0.71 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.56 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.35 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 1.51 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 0.94 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.14 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.16 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 0.63 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 0.38 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.22 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 2.97 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 52' ' ' GLY . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.59 110.114 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' GLU . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.47 110.423 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' VAL . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.64 109.269 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' H ' HG23 ' A' ' 49' ' ' THR . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.41 110.759 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 0.22 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 1.73 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 0.3 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.46 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 0.23 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.17 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 0.33 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.27 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.36 82.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.48 110.306 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 64' ' ' LEU . . . -64.52 -38.82 92.35 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.982 -1.074 . . . . 1.15 108.561 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -134.44 79.17 55.19 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.762 -0.586 . . . . 1.62 109.504 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 C--N 1.314 -1.238 0 C-N-CA 120.985 1.123 . . . . 3.05 111.889 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.113 -0.699 . . . . 22.77 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.73 120.0 37.32 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.397 -0.814 . . . . 20.19 109.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.69 148.59 26.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 18.43 109.544 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.59 -40.51 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.324 -0.86 . . . . 17.72 109.21 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.71 110.55 3.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 17.24 109.225 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.3 t -138.73 127.68 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.8 . . . . 15.09 109.548 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -70.38 132.79 46.16 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.294 -1.002 . . . . 15.83 108.294 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -59.92 139.7 57.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 14.06 108.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.67 159.34 27.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 12.57 109.647 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -76.65 -17.62 59.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.896 . . . . 12.83 108.94 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.0 -39.99 68.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 11.05 110.348 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -110.08 121.92 46.38 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.305 -0.872 . . . . 10.08 110.802 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -168.54 162.36 12.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 9.12 109.307 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.78 54.28 2.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.161 -0.962 . . . . 5.44 109.434 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 15' ' ' VAL . 7.6 p -81.73 -8.49 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.35 -0.844 . . . . 5.04 109.574 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -48.06 113.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 3.45 109.364 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.05 16.78 21.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.702 . . . . 2.03 109.995 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.4 -41.66 8.12 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.005 -1.059 . . . . 2.24 109.579 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m -78.0 -53.43 7.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.319 -0.863 . . . . 0.8 109.862 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.09 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 0.27 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 0.23 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.23 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 0.34 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 0.78 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 0.2 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.22 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 3.73 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.39 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 0.43 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.14 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 1.78 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.25 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.36 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 0.71 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.48 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.56 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.35 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 1.51 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 0.94 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.14 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.16 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 0.63 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 HD23 ' A' ' 56' ' ' LEU . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 0.38 109.23 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.22 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 2.97 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.59 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 0.47 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.64 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.41 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 0.22 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 1.73 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 0.3 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 44' ' ' ILE . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 0.46 109.212 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 HD11 ' A' ' 44' ' ' ILE . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 0.23 108.995 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.17 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 0.33 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 61' ' ' LEU . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.27 109.224 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.91 2.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.48 109.996 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.1 -59.88 2.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.97 -1.081 . . . . 1.15 108.886 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -72.69 155.68 90.67 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 108.649 -0.871 . . . . 1.62 108.649 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.754 0.969 . . . . 3.05 111.954 179.801 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.364 -0.606 . . . . 22.77 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -80.19 133.31 36.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 20.19 109.191 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' ILE . . . -164.78 -6.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.251 -0.906 . . . . 18.43 109.417 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' PHE . 33.8 pt -93.07 157.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.16 -0.962 . . . . 17.72 109.523 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' A' ' 6' ' ' VAL . 29.6 t80 -60.0 -119.8 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 17.24 109.2 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 5' ' ' PHE . 1.1 m -152.05 112.21 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.663 -1.273 . . . . 15.09 109.293 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 8' ' ' ASN . 2.8 pp -169.37 -44.26 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.119 -0.988 . . . . 15.83 110.207 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' N ' HD12 ' A' ' 7' ' ' LEU . 77.6 m-20 -67.12 -39.86 86.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.906 -1.121 . . . . 14.06 109.373 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 99.27 8.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.533 -0.73 . . . . 12.57 109.999 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -70.28 -30.04 66.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 12.83 109.64 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 41.5 p-80 -93.47 113.23 25.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.208 -0.932 . . . . 11.05 110.261 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -113.1 10.79 18.75 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.593 -0.692 . . . . 10.08 109.36 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.95 140.21 57.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.259 -0.9 . . . . 9.12 110.082 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.4 -11.57 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 5.44 109.178 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.17 -39.91 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.546 -0.721 . . . . 5.04 109.266 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -138.25 156.03 48.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -0.821 . . . . 3.45 109.441 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.45 -35.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.507 -0.745 . . . . 2.03 109.074 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.04 -39.88 87.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.851 . . . . 2.24 109.342 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -40.2 88.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.404 -0.81 . . . . 0.8 109.599 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.09 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 0.27 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 0.23 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.23 108.841 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 0.34 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 0.78 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 0.2 109.753 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.22 110.128 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 3.73 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.39 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 0.43 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.14 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 1.78 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.25 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.36 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 36' ' ' VAL . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 0.71 108.972 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.56 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.35 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 1.51 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 0.94 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.14 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.16 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 0.63 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 0.38 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.22 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 2.97 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.59 109.89 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 0.47 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.64 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.493 ' H ' HG23 ' A' ' 49' ' ' THR . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.41 109.354 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 0.22 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 1.73 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 0.3 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 0.46 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 HD11 ' HB1' ' A' ' 27' ' ' ALA . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 0.23 109.257 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.17 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 0.33 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.27 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.86 87.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.48 109.334 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.64 -4.07 10.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 1.15 109.523 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.3 mt -129.99 77.54 76.43 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.457 -0.777 . . . . 1.62 109.443 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo . . . . . 0 N--CA 1.491 1.374 0 C-N-CA 120.963 1.109 . . . . 3.05 112.174 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.791 -0.818 . . . . 22.77 108.791 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.98 -39.94 91.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.508 -0.745 . . . . 20.19 109.414 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.94 154.02 23.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.544 -0.723 . . . . 18.43 109.411 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.8 mp -102.31 142.48 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.314 -0.866 . . . . 17.72 109.151 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.91 127.14 15.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.369 -0.832 . . . . 17.24 109.268 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.8 p -166.48 36.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 108.144 -1.058 . . . . 15.09 108.144 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' ALA . 91.9 mt -65.83 157.96 29.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 15.83 109.336 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 8' ' ' ASN . 2.4 p-10 -69.65 64.5 0.19 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.36 -0.838 . . . . 14.06 109.606 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -158.81 160.0 35.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 12.57 109.28 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -100.19 136.8 39.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.254 -0.904 . . . . 12.83 109.641 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' CD2' ' OD1' ' A' ' 12' ' ' ASP . 41.4 p-80 -61.99 -39.64 92.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.131 -0.981 . . . . 11.05 109.224 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -76.21 140.79 41.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.341 -0.85 . . . . 10.08 109.448 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -63.82 -40.06 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 9.12 109.744 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.25 138.02 53.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 5.44 109.569 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 16' ' ' ASP . 8.0 p -61.16 -39.93 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.232 -0.918 . . . . 5.04 109.59 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 15' ' ' VAL . 94.3 m-20 -129.36 140.38 51.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.473 -0.767 . . . . 3.45 109.598 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.96 -80.88 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.21 -0.931 . . . . 2.03 109.505 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 2.24 109.498 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -56.43 -30.78 63.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.363 -0.835 . . . . 0.8 110.203 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.09 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 0.27 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 0.23 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.23 108.682 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 0.34 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.78 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.2 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.22 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 3.73 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.39 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 0.43 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.14 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 1.78 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.25 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.36 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 0.71 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.56 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.35 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 1.51 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 0.94 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.14 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.16 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.63 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.38 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.22 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 2.97 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.59 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.47 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.64 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.41 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 0.22 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 1.73 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 0.3 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 0.46 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 0.23 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.17 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 0.33 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.22 67.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.48 109.404 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.4 82.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.345 -0.847 . . . . 1.15 110.083 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 mt -60.29 148.03 80.29 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.171 -0.955 . . . . 1.62 109.281 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 118.014 -0.911 . . . . 3.05 111.94 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.447 -0.575 . . . . 22.77 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -99.74 120.33 39.55 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.166 -0.959 . . . . 20.19 109.136 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 -35.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.238 -0.914 . . . . 18.43 109.465 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.3 pp -133.14 159.05 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.428 -0.795 . . . . 17.72 109.763 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -108.28 -29.64 8.77 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.323 -0.861 . . . . 17.24 109.442 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -114.95 121.65 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.622 -0.673 . . . . 15.09 110.437 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 8' ' ' ASN . 2.3 tt -147.7 119.66 8.19 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.684 -0.858 . . . . 15.83 108.684 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' HD23 ' A' ' 7' ' ' LEU . 82.8 m-20 -86.84 137.53 32.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.882 -1.136 . . . . 14.06 109.146 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.18 93.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 12.57 110.204 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.647 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -68.06 -19.6 64.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.168 -0.957 . . . . 12.83 109.877 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -0.06 56.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 11.05 109.575 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 9.9 t70 -153.39 -121.22 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 10.08 109.796 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 52.6 tp10 -60.56 139.9 57.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 9.12 109.938 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.09 151.11 27.63 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.807 -0.812 . . . . 5.44 108.807 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 54.5 t -60.04 -49.95 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.16 -0.962 . . . . 5.04 109.474 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 69.7 m-20 -154.35 84.54 1.12 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.254 -0.904 . . . . 3.45 109.587 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.91 -18.05 28.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.219 -0.925 . . . . 2.03 109.437 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -70.5 -19.35 62.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 2.24 109.956 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.8 109.936 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.09 108.861 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 0.27 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 0.23 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.23 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.34 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.78 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 0.2 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.22 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 3.73 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.39 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 0.43 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.14 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 1.78 109.909 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.25 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.36 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 36' ' ' VAL . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 0.71 108.668 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.56 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.35 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 1.51 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.94 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.14 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.16 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 0.63 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.38 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.22 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 2.97 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.59 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 0.47 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.64 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.41 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 0.22 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 1.73 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.3 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 0.46 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 0.23 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.17 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 0.33 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 57' ' ' ILE . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.27 109.538 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.25 84.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 0.48 109.053 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.99 87.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.8 . . . . 1.15 109.902 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.5 mt -70.04 148.21 96.02 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 1.62 108.712 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 117.993 -0.919 . . . . 3.05 111.903 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 22.77 108.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -87.08 123.04 31.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 20.19 108.718 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.94 -173.01 1.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.105 -0.997 . . . . 18.43 109.92 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' VAL . 97.3 mt -64.67 -20.48 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.791 . . . . 17.72 109.698 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -64.51 72.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 17.24 109.578 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 7' ' ' LEU . 89.0 t -105.29 169.57 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.522 -0.918 . . . . 15.09 108.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.584 ' N ' HG12 ' A' ' 6' ' ' VAL . 95.6 mt -60.06 -40.35 89.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.049 -1.032 . . . . 15.83 109.247 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -159.31 113.72 2.38 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.893 -0.78 . . . . 14.06 108.893 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 42.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.122 -0.986 . . . . 12.57 110.129 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -101.25 109.44 21.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.19 -0.944 . . . . 12.83 109.358 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.09 -41.3 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.863 -1.148 . . . . 11.05 110.151 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -173.58 19.15 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.197 -0.939 . . . . 10.08 109.515 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.89 -40.06 87.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.239 -0.913 . . . . 9.12 109.848 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.38 -142.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.049 -1.032 . . . . 5.44 110.073 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.93 150.56 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.536 -0.727 . . . . 5.04 109.584 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' OD1' ' OG ' ' A' ' 19' ' ' SER . 12.1 p-10 -138.77 159.71 41.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.393 -0.817 . . . . 3.45 109.462 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 19' ' ' SER . . . -67.04 -38.4 85.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.186 -0.946 . . . . 2.03 109.536 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.93 -0.28 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.333 -0.854 . . . . 2.24 109.523 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' OD1' ' A' ' 16' ' ' ASP . 58.6 m -60.02 -40.22 88.53 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.239 -0.913 . . . . 0.8 109.549 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.09 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 0.27 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 0.23 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.23 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.34 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 0.78 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 0.2 110.104 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.22 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 3.73 109.157 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.39 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 0.43 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.14 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.78 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.25 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.36 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 0.71 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.56 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.35 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 1.51 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.94 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.14 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.16 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 HD21 ' A' ' 56' ' ' LEU . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 0.63 109.058 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 0.38 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.22 110.211 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 2.97 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.59 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.47 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.64 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.41 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 0.22 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 1.73 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 0.3 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD21 HD23 ' A' ' 43' ' ' LEU . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 0.46 109.598 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.609 HD11 ' HB1' ' A' ' 27' ' ' ALA . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 0.23 111.159 -178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.17 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 0.33 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.27 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.97 86.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 0.48 109.16 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.53 67.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 1.15 109.376 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.3 mt -129.96 77.72 76.16 Favored Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.486 -0.759 . . . . 1.62 109.405 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.938 1.092 . . . . 3.05 112.187 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.353 -0.61 . . . . 22.77 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -69.98 149.58 47.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 20.19 109.149 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.66 49.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 18.43 109.25 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.908 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -130.21 157.31 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.498 -0.751 . . . . 17.72 109.851 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -151.87 -38.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 17.24 109.09 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.0 p -162.13 86.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 15.09 109.148 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' C ' HD23 ' A' ' 7' ' ' LEU . 5.0 tt -69.63 -59.24 3.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.032 -1.043 . . . . 15.83 109.213 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 12.8 m120 -160.8 -26.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.136 -0.977 . . . . 14.06 109.412 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 169.41 24.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 12.57 109.576 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -78.44 159.95 28.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.85 . . . . 12.83 109.329 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 t-80 -63.56 157.76 22.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.87 . . . . 11.05 109.557 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.67 42.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.388 -0.82 . . . . 10.08 109.47 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' HIS . 86.0 tt0 -59.97 -40.04 87.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.127 -0.983 . . . . 9.12 108.977 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 158.39 13.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.384 -0.822 . . . . 5.44 109.313 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -114.29 148.51 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.563 -0.711 . . . . 5.04 109.662 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.05 159.06 32.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 3.45 110.06 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.19 -23.2 65.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 2.03 109.493 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -53.67 -30.41 43.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.24 109.285 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -51.87 -29.84 21.38 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.307 -0.87 . . . . 0.8 109.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.09 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.27 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 0.23 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.23 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.34 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 HD23 HH21 ' A' ' 29' ' ' ARG . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 0.78 110.043 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 0.2 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.22 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.528 HH21 HD23 ' A' ' 26' ' ' LEU . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 3.73 110.071 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.39 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.43 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.14 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 1.78 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.25 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.36 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 0.71 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.56 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.35 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 1.51 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.584 ' CD2' HG22 ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 0.94 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.14 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.16 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 0.63 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 0.38 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.22 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 2.97 109.638 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.59 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 0.47 110.258 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 50' ' ' VAL . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.64 107.431 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.41 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 0.22 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 1.73 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 0.3 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 0.46 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 0.23 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.17 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 0.33 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.27 109.085 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.25 -19.24 65.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 0.48 109.258 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.15 109.562 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.46 149.67 96.87 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 1.62 108.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 120.729 0.953 . . . . 3.05 111.893 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.06 -0.719 . . . . 22.77 109.06 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -68.52 -38.7 81.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.917 -1.114 . . . . 20.19 109.542 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.21 -70.5 0.1 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.865 . . . . 18.43 110.165 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -120.05 126.26 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.372 -0.83 . . . . 17.72 109.538 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.65 -18.84 10.77 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.705 -0.85 . . . . 17.24 108.705 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.04 159.94 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.448 -0.782 . . . . 15.09 109.148 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.02 139.92 57.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 15.83 109.426 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -160.04 157.52 28.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 14.06 109.23 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.61 -130.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.133 -0.979 . . . . 12.57 109.699 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -80.07 160.02 25.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.354 -0.841 . . . . 12.83 109.605 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -61.73 -6.07 2.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 11.05 109.643 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.98 148.53 35.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.213 -0.929 . . . . 10.08 109.327 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.37 133.36 56.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.908 . . . . 9.12 109.398 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.53 -5.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.384 -0.822 . . . . 5.44 109.224 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 16' ' ' ASP . 13.1 p -63.51 -41.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 5.04 109.707 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 57.3 t0 -159.34 141.36 13.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 3.45 109.393 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -91.87 1.29 57.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 2.03 108.936 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -83.94 0.47 47.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 2.24 109.986 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t -60.04 -44.86 94.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.94 -1.1 . . . . 0.8 109.141 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.09 108.731 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.27 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 0.23 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.23 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 0.34 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.78 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 0.2 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.22 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 3.73 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.39 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.43 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.14 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 1.78 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.25 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.36 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 0.71 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.56 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.35 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 1.51 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 0.94 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.14 108.88 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.16 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.63 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.22 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 2.97 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.59 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 0.47 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.64 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.41 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 0.22 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 1.73 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.3 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 0.46 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 0.23 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.17 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 0.33 110.028 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.27 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.65 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.48 110.347 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.52 64.11 1.56 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.352 -0.843 . . . . 1.15 109.477 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.02 137.33 87.24 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.231 -0.918 . . . . 1.62 108.556 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.491 1.336 0 CA-C-N 119.727 0.938 . . . . 3.05 112.114 179.753 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.32 -0.622 . . . . 22.77 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.234 -0.916 . . . . 20.19 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.89 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.601 -0.687 . . . . 18.43 110.545 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.3 mt -82.7 142.16 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.497 -0.752 . . . . 17.72 110.111 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -59.97 142.69 53.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 17.24 109.097 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.17 -147.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 15.09 109.578 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.733 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.63 135.92 57.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.81 -1.181 . . . . 15.83 108.87 -179.425 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.562 ' H ' HD13 ' A' ' 7' ' ' LEU . 11.4 m120 -128.05 155.31 44.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.396 -0.815 . . . . 14.06 109.646 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.88 14.01 9.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.31 -0.869 . . . . 12.57 109.339 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -59.93 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.208 -0.932 . . . . 12.83 109.579 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.46 -67.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.207 -0.933 . . . . 11.05 109.936 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.8 174.74 14.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.194 -0.941 . . . . 10.08 109.829 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.57 27.94 0.59 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.827 . . . . 9.12 108.933 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.1 -16.63 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.42 -0.8 . . . . 5.44 109.859 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.08 106.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.197 -0.939 . . . . 5.04 109.214 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -83.86 -24.65 30.79 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.352 -0.843 . . . . 3.45 109.898 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.9 94.02 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.16 -0.963 . . . . 2.03 109.845 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.04 -41.92 93.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 2.24 109.652 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.8 p -67.39 -41.18 85.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.31 -0.869 . . . . 0.8 110.087 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.09 109.259 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 0.27 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 0.23 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.23 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 0.34 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 0.78 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.2 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.22 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 3.73 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.39 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.14 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 1.78 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.25 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.36 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 0.71 108.656 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.56 109.916 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.35 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 1.51 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.94 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.14 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.16 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 0.63 108.963 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 0.38 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.22 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 2.97 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.59 110.951 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 0.47 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.64 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.41 109.221 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 0.22 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 1.73 110.845 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.3 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 43' ' ' LEU . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 0.46 108.959 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 61' ' ' LEU . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 0.23 108.174 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.17 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 0.33 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 61' ' ' LEU . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.27 108.911 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.12 68.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 0.48 109.39 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.02 87.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 1.15 109.899 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.7 148.07 98.84 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.149 -0.97 . . . . 1.62 109.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 117.992 -0.92 . . . . 3.05 111.929 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 tpp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.007 -0.738 . . . . 22.77 109.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.695 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -100.04 19.99 15.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.789 . . . . 20.19 108.986 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.46 -38.0 76.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.32 -0.862 . . . . 18.43 108.948 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -107.89 140.01 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 108.903 -0.777 . . . . 17.72 108.903 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -140.53 150.17 43.37 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.215 -0.928 . . . . 17.24 110.225 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' ASN . 82.7 t -129.56 130.58 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 109.17 -0.678 . . . . 15.09 109.17 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.1 mm? -67.12 72.33 0.11 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.333 -0.854 . . . . 15.83 109.168 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' VAL . 43.2 t30 -60.42 -42.84 96.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.411 -0.805 . . . . 14.06 109.725 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.26 131.3 40.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.1 -1.0 . . . . 12.57 109.43 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.637 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.5 pm0 -79.02 150.7 31.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.381 -0.824 . . . . 12.83 109.998 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.5 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 51.6 t-80 -141.78 63.87 1.41 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.436 -0.79 . . . . 11.05 109.419 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.9 -19.58 63.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 10.08 109.618 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -150.0 158.54 44.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.06 -1.025 . . . . 9.12 109.934 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.84 63.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.288 -0.883 . . . . 5.44 110.98 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 17' ' ' ALA . 39.2 t -120.37 124.14 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 121.587 -0.696 . . . . 5.04 109.679 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 18' ' ' ASN . 96.1 m-20 -70.48 -20.24 62.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.214 -0.928 . . . . 3.45 110.232 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' H ' HG12 ' A' ' 15' ' ' VAL . . . -55.38 -5.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.125 -0.984 . . . . 2.03 109.671 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 16' ' ' ASP . 24.6 m120 -61.12 -40.05 92.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.26 -0.9 . . . . 2.24 109.949 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -59.94 -40.24 88.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.021 -1.05 . . . . 0.8 109.042 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.09 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 0.27 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 0.23 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.23 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 0.34 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 0.78 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 0.2 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.22 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 3.73 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.39 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 0.43 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.14 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 1.78 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.25 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.36 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 36' ' ' VAL . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 0.71 109.176 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.56 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.35 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 1.51 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 0.94 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.14 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.16 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 0.63 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 0.38 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.22 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 2.97 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.59 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.47 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.64 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.41 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 0.22 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 1.73 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 0.3 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.46 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 0.23 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.17 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 0.33 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.27 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.08 91.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 0.48 109.441 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.37 89.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 1.15 108.95 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.77 150.01 83.65 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.846 -0.798 . . . . 1.62 108.846 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 CA-C-O 117.995 -0.919 . . . . 3.05 111.875 179.695 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.197 0.522 . . . . 22.77 109.755 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -94.48 116.55 28.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.212 -0.93 . . . . 20.19 108.832 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.13 112.85 0.46 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.33 -0.856 . . . . 18.43 109.377 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -168.12 -32.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.113 -0.992 . . . . 17.72 109.725 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.61 139.59 57.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.09 -1.006 . . . . 17.24 108.401 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.05 -47.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.133 -0.979 . . . . 15.09 110.189 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.0 mt -81.46 161.03 23.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.215 -0.928 . . . . 15.83 109.014 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -56.6 145.99 26.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.156 -0.965 . . . . 14.06 109.37 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . -68.21 -20.36 64.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.27 -0.894 . . . . 12.57 109.933 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.02 129.98 44.44 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.123 -0.986 . . . . 12.83 109.422 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 9' ' ' ALA . 79.5 m80 -110.36 113.76 26.68 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.518 -0.739 . . . . 11.05 109.396 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.0 t0 -170.14 -117.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.196 -0.94 . . . . 10.08 109.704 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 98.9 mt-10 -60.05 -39.43 85.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 9.12 109.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 141.69 54.45 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.839 . . . . 5.44 109.401 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 16' ' ' ASP . 33.0 m -130.01 160.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 109.016 -0.735 . . . . 5.04 109.016 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' A' ' 15' ' ' VAL . 95.6 m-20 -56.92 -118.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.789 . . . . 3.45 109.688 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.59 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.806 -1.184 . . . . 2.03 110.021 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.94 -22.75 63.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.445 -0.784 . . . . 2.24 110.274 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.09 -41.41 92.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.079 -1.013 . . . . 0.8 110.076 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.09 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 0.27 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 0.23 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.23 109.618 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.34 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 0.78 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 0.2 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.22 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 3.73 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.39 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 0.43 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 1.78 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.25 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.36 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 0.71 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.56 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.35 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.51 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 0.94 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.14 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.16 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.63 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.38 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.22 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 2.97 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.59 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 0.47 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.64 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.41 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 0.22 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 1.73 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.3 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD21 HD23 ' A' ' 43' ' ' LEU . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.46 109.157 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 0.23 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.17 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 0.33 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.27 109.221 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 0.48 109.875 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.27 21.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.208 -0.932 . . . . 1.15 110.769 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.1 pp -70.33 149.99 95.84 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 1.62 109.014 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' C ' HD12 ' A' ' 64' ' ' LEU . 20.9 Cg_exo . . . . . 0 N--CA 1.49 1.297 0 C-N-CA 120.693 0.928 . . . . 3.05 112.333 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.189 -0.671 . . . . 22.77 109.189 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -69.37 140.48 54.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.191 -0.943 . . . . 20.19 109.276 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.38 -164.98 1.04 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 18.43 109.274 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 5' ' ' PHE . 15.9 tt -59.97 -40.03 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.253 -0.904 . . . . 17.72 109.119 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' N ' HG23 ' A' ' 4' ' ' ILE . 89.9 m-85 -67.14 138.55 57.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.3 -0.875 . . . . 17.24 109.242 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 m -134.68 159.81 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.49 -0.756 . . . . 15.09 109.366 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -68.55 -40.06 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 15.83 109.447 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -78.73 160.32 27.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 14.06 109.581 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.39 -16.75 38.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.942 . . . . 12.57 109.275 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -159.63 160.35 34.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.43 -0.794 . . . . 12.83 109.167 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -103.69 109.21 20.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.366 -0.834 . . . . 11.05 109.424 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -171.05 118.2 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 10.08 109.235 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -140.64 -80.03 0.27 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.212 -0.93 . . . . 9.12 109.783 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.11 158.49 26.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 5.44 110.113 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.68 142.01 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.526 -0.734 . . . . 5.04 109.06 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.02 -22.54 63.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.13 -0.981 . . . . 3.45 109.762 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 2.03 109.981 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.42 -11.9 58.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.191 -0.943 . . . . 2.24 110.294 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -59.98 -43.39 95.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.973 -1.08 . . . . 0.8 110.355 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.09 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 0.27 109.372 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 0.23 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 47' ' ' ALA . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.23 108.825 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 0.34 109.12 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.78 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 0.2 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.22 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 3.73 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.39 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 0.43 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.14 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 1.78 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.25 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.36 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 0.71 109.166 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.401 ' H ' HG12 ' A' ' 36' ' ' VAL . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.56 109.718 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.35 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.51 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 0.94 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.14 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.16 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 0.63 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 0.38 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.22 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 24' ' ' LYS . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 2.97 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 52' ' ' GLY . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.59 110.287 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 0.47 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.64 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HG23 ' A' ' 49' ' ' THR . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.41 109.377 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 0.22 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 1.73 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 0.3 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 0.46 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 0.23 108.354 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.17 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 0.33 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.27 109.372 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.11 -10.59 59.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 0.48 109.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.84 68.32 1.0 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.232 -0.918 . . . . 1.15 109.87 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 64' ' ' LEU . 6.2 mp -67.26 149.85 98.21 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 1.62 108.852 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 118.071 -0.887 . . . . 3.05 111.822 179.412 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.208 0.528 . . . . 22.77 109.719 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.99 -41.33 91.81 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 20.19 109.234 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.69 16.1 0.78 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.233 -0.917 . . . . 18.43 109.248 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.3 mm -106.73 140.14 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.477 -0.764 . . . . 17.72 109.531 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -47.28 155.06 0.35 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.21 -0.931 . . . . 17.24 109.573 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.092 -1.005 . . . . 15.09 109.56 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.8 mp -76.61 130.02 37.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.945 . . . . 15.83 109.053 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.35 -42.15 95.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 14.06 109.811 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.19 146.71 30.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 12.57 109.033 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.0 -30.83 70.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 12.83 109.218 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 81.3 t60 -144.04 -101.69 0.11 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.398 -0.814 . . . . 11.05 109.079 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 11' ' ' HIS . 10.8 t70 -70.56 152.18 44.23 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.219 -0.925 . . . . 10.08 109.649 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 37.9 mp0 -60.33 -39.96 88.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 9.12 109.204 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.85 145.78 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.898 -0.779 . . . . 5.44 108.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.3 m -89.2 120.48 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.026 -1.046 . . . . 5.04 109.597 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.17 170.03 13.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 3.45 109.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.73 -34.12 0.18 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.238 -0.914 . . . . 2.03 109.581 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -61.01 -40.24 92.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 2.24 109.861 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p -69.8 -40.89 75.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.088 -1.008 . . . . 0.8 109.356 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.09 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 0.27 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 0.23 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.23 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.34 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 0.78 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 0.2 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.22 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 3.73 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.39 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 0.43 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.14 108.121 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 1.78 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.25 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.36 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 0.71 109.137 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.56 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.35 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 1.51 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 36' ' ' VAL . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 0.94 109.493 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.14 108.519 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.16 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 0.63 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 57' ' ' ILE . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.38 108.688 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.22 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 2.97 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.59 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 0.47 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.64 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.41 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 44' ' ' ILE . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 0.22 109.535 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 1.73 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.3 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.46 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 44' ' ' ILE . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 0.23 109.638 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.17 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 0.33 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.27 109.303 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.68 -20.94 37.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 0.48 109.321 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -3.41 58.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.19 -0.944 . . . . 1.15 109.579 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.02 77.1 77.14 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.471 -0.768 . . . . 1.62 109.434 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.49 1.267 0 C-N-CA 120.968 1.112 . . . . 3.05 111.952 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.48 -0.563 . . . . 22.77 109.48 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.36 -40.03 92.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 20.19 109.927 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.94 133.61 28.74 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.245 -0.909 . . . . 18.43 109.863 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -60.65 -40.54 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.281 -0.887 . . . . 17.72 109.048 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.64 160.68 37.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.405 -0.809 . . . . 17.24 109.234 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.62 131.44 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.602 -0.687 . . . . 15.09 109.226 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.95 -43.57 94.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.233 -0.917 . . . . 15.83 109.719 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -96.72 -121.13 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 14.06 109.796 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.94 115.64 3.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.024 -1.047 . . . . 12.57 109.317 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -68.18 -39.98 82.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 12.83 110.339 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 67.67 5.81 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.972 -1.08 . . . . 11.05 109.941 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.014 -1.054 . . . . 10.08 109.784 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -151.6 159.93 43.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.231 -0.918 . . . . 9.12 109.558 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.06 21.74 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 5.44 109.628 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 160.0 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.55 -0.719 . . . . 5.04 109.198 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -83.97 120.4 26.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.098 -1.002 . . . . 3.45 109.231 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.26 10.21 41.87 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.309 -0.87 . . . . 2.03 109.684 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.93 -79.88 0.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.193 -0.942 . . . . 2.24 109.931 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 0.8 110.106 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.09 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 0.27 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 0.23 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.23 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.34 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 0.78 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.2 109.338 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.22 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 3.73 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.39 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 0.43 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.14 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 1.78 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.25 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.36 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.71 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.56 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.35 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 1.51 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 0.94 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.14 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.16 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 0.63 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 0.38 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.22 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 2.97 110.87 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.59 109.362 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 0.47 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.64 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.41 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 0.22 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 1.73 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 0.3 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 0.46 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 ' HB1' ' A' ' 27' ' ' ALA . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 0.23 108.188 178.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.17 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 0.33 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.27 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.53 73.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 0.48 109.383 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 1.15 109.649 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 mt -70.12 148.63 96.03 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 1.62 108.606 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.493 1.486 0 CA-C-O 118.018 -0.909 . . . . 3.05 111.874 179.927 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.2 -0.667 . . . . 22.77 109.2 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -60.04 -40.38 89.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 20.19 109.62 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.04 160.03 35.37 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 18.43 109.62 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.08 -42.54 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 17.72 109.181 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -63.28 140.02 58.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.304 -0.873 . . . . 17.24 109.044 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.75 117.93 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.152 -0.967 . . . . 15.09 109.648 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 -40.8 9.86 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.586 -0.894 . . . . 15.83 108.586 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -152.82 157.94 41.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 14.06 109.148 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.32 146.81 50.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 12.57 109.428 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.95 -40.88 90.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.954 . . . . 12.83 109.083 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -140.24 168.77 19.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.43 -0.793 . . . . 11.05 109.104 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.35 77.13 0.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 10.08 109.416 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -79.87 131.88 35.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 9.12 109.381 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.11 -129.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 5.44 109.373 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.8 t -70.81 131.91 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.055 -1.028 . . . . 5.04 109.307 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.61 77.1 9.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 3.45 109.695 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.03 -20.78 62.35 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.24 -0.912 . . . . 2.03 109.248 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.09 -40.03 88.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.468 -0.77 . . . . 2.24 109.945 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p -60.03 -43.28 95.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.077 -1.014 . . . . 0.8 109.369 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.09 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 0.27 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 0.23 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.23 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 0.34 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 0.78 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 0.2 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.22 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 3.73 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.39 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 44' ' ' ILE . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 0.43 109.499 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 1.78 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.25 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.36 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 36' ' ' VAL . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 0.71 109.527 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.56 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.35 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 1.51 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 0.94 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.14 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.16 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 0.63 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 31' ' ' LEU . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 0.38 109.018 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.22 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 2.97 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.59 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.47 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.64 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.41 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 0.22 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 1.73 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.3 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 0.46 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 0.23 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.17 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 0.33 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 64' ' ' LEU . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.27 109.209 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.45 67.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.48 109.548 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.08 76.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.229 -0.92 . . . . 1.15 109.477 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.7 pp -126.6 149.98 69.59 Favored Pre-proline 0 N--CA 1.5 2.049 0 N-CA-C 108.821 -0.807 . . . . 1.62 108.821 -179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.431 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.3 Cg_endo . . . . . 0 N--CA 1.494 1.5 0 CA-C-O 117.989 -0.921 . . . . 3.05 111.878 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.407 -0.59 . . . . 22.77 109.407 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -69.25 145.6 53.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 20.19 109.584 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.02 139.98 57.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 18.43 109.86 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.56 126.27 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 109.168 -0.679 . . . . 17.72 109.168 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -80.69 109.72 15.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.017 -1.052 . . . . 17.24 109.359 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.96 138.54 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.269 -0.894 . . . . 15.09 108.915 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.723 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -159.96 160.02 32.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.204 -0.935 . . . . 15.83 109.761 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -153.92 2.06 0.24 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 14.06 109.587 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.67 -80.02 0.34 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.184 -0.948 . . . . 12.57 109.648 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -85.55 148.24 26.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 12.83 109.018 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 12' ' ' ASP . 27.6 t-80 -159.12 169.61 23.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.139 -0.976 . . . . 11.05 109.374 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 53.1 t0 -55.81 -21.61 20.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.425 -0.797 . . . . 10.08 109.723 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -51.31 139.85 18.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.044 -1.035 . . . . 9.12 109.771 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.69 -58.72 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.468 -0.77 . . . . 5.44 109.473 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.36 122.06 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 109.297 -0.631 . . . . 5.04 109.297 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 29.1 p-10 -108.33 139.22 43.36 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.529 -0.732 . . . . 3.45 109.656 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.69 2.05 49.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 2.03 109.517 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -90.01 -79.95 0.33 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.12 -0.988 . . . . 2.24 110.237 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.331 -0.855 . . . . 0.8 110.021 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.09 108.703 -179.859 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.27 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 0.23 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.23 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 0.34 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 0.78 109.644 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 0.2 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.22 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 3.73 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.39 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 0.43 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.14 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 1.78 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.25 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.36 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 0.71 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.56 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.35 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 1.51 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 0.94 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.14 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.16 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 0.63 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 0.38 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.22 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 2.97 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.59 109.397 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 0.47 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.64 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.41 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 49' ' ' THR . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 0.22 110.66 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 1.73 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 0.3 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.46 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 0.23 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.17 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 0.33 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 57' ' ' ILE . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.27 109.486 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.89 75.86 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 0.48 108.983 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.7 76.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 1.15 109.518 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -72.19 148.43 91.31 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.307 -0.87 . . . . 1.62 108.879 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 CA-C-O 117.95 -0.937 . . . . 3.05 111.908 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.207 0.527 . . . . 22.77 109.591 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.64 140.02 55.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.313 -0.867 . . . . 20.19 109.242 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.48 -52.83 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.118 -0.989 . . . . 18.43 109.73 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 4' ' ' ILE . 18.0 tt -136.39 131.52 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.462 -0.773 . . . . 17.72 110.156 -179.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 8.7 m-85 -90.19 -168.78 2.21 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.245 -0.909 . . . . 17.24 108.959 179.046 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.09 -39.96 81.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 15.09 109.885 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 59.8 tp -136.01 129.74 32.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.245 -0.91 . . . . 15.83 109.663 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 35.0 m120 -154.63 101.73 2.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 14.06 109.426 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.9 -104.24 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.33 -0.856 . . . . 12.57 109.574 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.638 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.3 pm0 -80.34 151.21 29.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 12.83 109.355 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.479 ' NE2' ' OE1' ' A' ' 13' ' ' GLU . 3.5 t60 -135.0 106.4 6.8 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.625 -0.88 . . . . 11.05 108.625 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -70.12 -21.5 63.1 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.193 -0.942 . . . . 10.08 110.383 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' OE1' ' NE2' ' A' ' 11' ' ' HIS . 98.9 mt-10 -60.06 -40.02 88.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.993 -1.067 . . . . 9.12 110.004 -179.473 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.08 44.69 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.079 -1.013 . . . . 5.44 109.875 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.76 157.92 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.419 -0.8 . . . . 5.04 109.193 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' ASN . 36.1 p-10 -137.15 -138.03 0.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.101 -0.999 . . . . 3.45 110.402 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.4 -29.93 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.749 -0.594 . . . . 2.03 111.086 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ASP . 45.4 t30 -59.98 -39.99 87.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.002 -1.061 . . . . 2.24 109.156 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -60.08 -41.03 91.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.8 110.295 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.09 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 0.27 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.23 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.23 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 0.34 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 0.78 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 0.2 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.22 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 3.73 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.39 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 0.43 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.14 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 1.78 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.25 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.36 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 0.71 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.56 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.35 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 1.51 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 0.94 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.14 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.16 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 0.63 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 0.38 108.774 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.22 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 2.97 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.59 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 0.47 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.64 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.41 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 0.22 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 1.73 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.3 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 0.46 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 44' ' ' ILE . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 0.23 107.935 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.17 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 0.33 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.27 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.71 86.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 0.48 109.221 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.95 -5.52 17.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 1.15 109.541 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 mt -130.06 77.21 76.9 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.483 -0.761 . . . . 1.62 109.211 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 C-N-CA 121.017 1.145 . . . . 3.05 112.275 -179.805 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.922 -0.769 . . . . 22.77 108.922 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.34 6.57 47.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.495 -0.753 . . . . 20.19 109.847 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.07 2.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 18.43 109.223 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.31 132.89 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 17.72 109.107 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.51 148.31 49.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 17.24 109.85 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.7 129.95 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.651 -0.87 . . . . 15.09 108.651 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.4 mp -56.53 127.9 33.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 15.83 109.125 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 14.06 109.642 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.44 170.27 8.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.792 . . . . 12.57 109.725 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.74 150.45 46.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.362 -0.837 . . . . 12.83 109.535 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 12' ' ' ASP . 41.7 p-80 -60.02 -40.04 87.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 11.05 109.824 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -101.31 100.81 11.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.306 -0.871 . . . . 10.08 109.569 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.197 -0.939 . . . . 9.12 109.188 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.12 146.58 24.54 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.392 -0.817 . . . . 5.44 109.391 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 60.7 t -60.91 -49.97 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 5.04 108.757 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 79.0 m-20 -147.93 149.61 32.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.39 -0.819 . . . . 3.45 109.621 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.15 -6.53 14.58 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.351 -0.843 . . . . 2.03 109.774 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -134.54 -43.74 0.76 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.331 -0.856 . . . . 2.24 109.901 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -40.96 90.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.979 -1.076 . . . . 0.8 109.863 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.09 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 0.27 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 0.23 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.23 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.34 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.78 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 0.2 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.22 110.962 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.466 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 3.73 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.39 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 0.43 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.14 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 1.78 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.25 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.36 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 0.71 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.56 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.35 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 1.51 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 0.94 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.14 109.113 -178.334 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.16 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 0.63 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.38 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.22 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 2.97 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.59 109.629 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 0.47 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.64 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' HG23 ' A' ' 49' ' ' THR . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 0.22 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 1.73 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 0.3 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 0.46 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 0.23 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.17 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 0.33 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.27 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.7 21.25 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 0.48 109.699 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.58 -25.89 0.37 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.014 . . . . 1.15 110.153 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.62 112.96 3.53 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 1.62 108.847 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-N 120.125 1.08 . . . . 3.05 112.103 179.652 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.463 0.649 . . . . 22.77 109.306 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -153.44 171.89 17.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 20.19 109.196 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.74 146.34 4.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.171 -0.955 . . . . 18.43 109.358 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 pt -94.17 -166.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 17.72 109.978 -179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.95 -45.86 91.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.915 . . . . 17.24 109.636 -179.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.991 HG22 ' H ' ' A' ' 7' ' ' LEU . 8.4 p -95.96 -154.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 15.09 108.667 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.991 ' H ' HG22 ' A' ' 6' ' ' VAL . 46.6 tp -55.6 148.18 16.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.749 -1.219 . . . . 15.83 109.382 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.94 20.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 14.06 110.446 -179.2 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -55.33 141.45 35.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.105 -0.997 . . . . 12.57 109.243 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 11' ' ' HIS . 4.9 pp0? -67.4 -26.42 66.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 12.83 109.951 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 10' ' ' GLN . 85.2 t60 -59.7 136.1 57.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 11.05 109.648 -179.5 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.4 t0 -146.66 138.53 24.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.337 -0.852 . . . . 10.08 109.229 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 87.1 tt0 -139.97 131.52 27.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -0.903 . . . . 9.12 109.551 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.6 -160.02 0.2 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.415 -0.803 . . . . 5.44 108.856 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.41 112.09 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.021 -1.05 . . . . 5.04 109.023 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.4 -5.15 50.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.278 -0.889 . . . . 3.45 109.705 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.44 40.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 2.03 110.41 -179.425 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -101.27 -22.59 14.59 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.231 -0.918 . . . . 2.24 110.923 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -67.71 -43.16 80.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.839 -1.163 . . . . 0.8 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.09 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 0.27 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 0.23 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.23 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 0.34 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 0.78 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 0.2 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.22 111.234 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 3.73 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.39 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.14 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.78 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.25 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.36 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 0.71 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.56 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.35 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 1.51 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 0.94 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.14 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.16 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 0.63 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 0.38 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.22 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 2.97 110.561 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.59 109.536 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 0.47 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.64 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.41 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 0.22 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 1.73 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 0.3 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 0.46 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 0.23 107.996 179.2 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.17 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 0.33 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.27 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.81 -12.96 60.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.48 109.513 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.3 4.85 41.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 1.15 110.596 -179.195 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -144.63 149.53 43.89 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 120.915 -1.116 . . . . 1.62 109.335 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.493 1.471 0 CA-C-O 117.941 -0.941 . . . . 3.05 112.019 179.679 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tmm? . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.195 0.521 . . . . 22.77 109.87 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -69.02 134.94 50.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -0.942 . . . . 20.19 109.707 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 158.74 38.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 18.43 109.282 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 tp -170.0 -24.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.394 -0.816 . . . . 17.72 109.017 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -75.46 -12.74 60.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.549 -0.72 . . . . 17.24 110.091 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.0 -39.95 83.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.218 -0.926 . . . . 15.09 108.757 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.7 mt -115.6 147.24 40.99 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.163 -0.68 . . . . 15.83 109.163 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.47 170.09 14.67 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.52 -0.737 . . . . 14.06 109.292 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 98.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 12.57 109.544 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.68 153.94 28.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 12.83 109.177 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -68.16 121.85 17.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.126 -0.984 . . . . 11.05 109.334 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -115.8 -120.05 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.583 -0.698 . . . . 10.08 109.633 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.95 -42.3 93.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 9.12 109.553 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.89 171.29 4.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.372 -0.83 . . . . 5.44 109.276 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.86 152.48 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 5.04 108.836 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -75.88 109.04 9.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 3.45 109.472 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.67 9.44 21.01 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.023 -0.732 . . . . 2.03 109.023 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -60.01 -40.24 88.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.149 -0.969 . . . . 2.24 109.38 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.204 -0.935 . . . . 0.8 109.271 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.09 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 0.27 109.453 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.23 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.23 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.34 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 26' ' ' LEU . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 0.78 108.166 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 0.2 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.22 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 3.73 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.39 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 0.43 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.14 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 1.78 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.25 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.36 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 37' ' ' SER . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 0.71 109.368 179.692 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.56 109.831 -179.77 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.35 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 1.51 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 0.94 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.14 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.16 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 0.63 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 0.38 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.22 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 2.97 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 52' ' ' GLY . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.59 110.831 -178.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' GLU . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 0.47 110.483 -179.469 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' VAL . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.64 108.737 -179.121 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' H ' HG23 ' A' ' 49' ' ' THR . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.41 108.605 178.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 0.22 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 1.73 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 0.3 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 0.46 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 0.23 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.17 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 0.33 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.27 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.91 22.06 0.64 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.48 109.861 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.44 18.21 2.56 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.207 -0.933 . . . . 1.15 109.843 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -69.99 149.84 96.32 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.092 -1.005 . . . . 1.62 108.96 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 CA-C-O 117.949 -0.938 . . . . 3.05 111.95 179.715 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.258 0.552 . . . . 22.77 109.547 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.26 -40.03 92.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 20.19 109.398 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.26 150.9 41.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.345 -0.847 . . . . 18.43 109.51 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -136.41 75.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.371 -0.831 . . . . 17.72 108.788 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -60.96 -48.03 83.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.244 -0.91 . . . . 17.24 109.284 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 m -149.24 151.14 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.415 -0.803 . . . . 15.09 109.308 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.7 pt? -151.02 -33.11 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.218 -0.926 . . . . 15.83 109.591 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' HIS . 25.4 m120 -141.28 119.82 12.4 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.135 -0.978 . . . . 14.06 109.259 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.8 79.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.825 . . . . 12.57 110.154 -179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 15.8 pt20 -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 12.83 110.141 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 97.4 m-70 -156.19 172.99 17.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.077 -1.015 . . . . 11.05 109.09 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -100.02 3.5 44.23 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.294 -0.879 . . . . 10.08 110.194 -179.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -146.5 10.31 1.09 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.858 -1.151 . . . . 9.12 110.924 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 87.55 6.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.662 -1.274 . . . . 5.44 109.698 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.83 -40.07 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 5.04 108.991 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.57 161.25 38.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 3.45 109.369 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.71 -9.64 10.16 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.517 -0.739 . . . . 2.03 109.311 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.98 -20.66 63.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -0.877 . . . . 2.24 109.825 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.8 110.076 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.09 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 0.27 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.23 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.23 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.34 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 0.78 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.2 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.22 109.691 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 3.73 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.39 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 0.43 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.14 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 1.78 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.25 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.36 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 36' ' ' VAL . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 0.71 109.426 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.56 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.35 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 1.51 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 0.94 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.14 108.702 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.16 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 0.63 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 0.38 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.22 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 2.97 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.59 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 0.47 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.64 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.41 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 0.22 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 1.73 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 0.3 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 0.46 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 0.23 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.17 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' N ' HD13 ' A' ' 60' ' ' ILE . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 0.33 108.945 -179.47 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.27 110.856 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' ASP . . . -59.99 -39.3 85.29 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 0.48 109.337 -179.724 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.04 87.84 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.212 -0.93 . . . . 1.15 109.592 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 mt -72.79 148.45 89.74 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.158 -0.964 . . . . 1.62 108.628 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 117.974 -0.928 . . . . 3.05 112.223 179.765 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 22.77 109.462 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.94 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 20.19 109.604 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 101.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.86 . . . . 18.43 108.973 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.5 mp -60.92 -49.98 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.116 -0.99 . . . . 17.72 109.378 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.484 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 58.8 t80 -172.41 -11.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 17.24 109.462 179.776 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.46 119.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.097 -1.002 . . . . 15.09 109.703 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.1 tp -120.43 -44.62 2.46 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.57 -0.707 . . . . 15.83 109.185 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.85 155.75 32.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 14.06 109.519 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.76 130.04 50.66 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.536 -0.728 . . . . 12.57 109.2 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -90.03 0.04 57.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.256 -0.903 . . . . 12.83 109.344 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.313 -0.867 . . . . 11.05 109.446 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 53.3 t0 -59.27 138.11 57.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -0.958 . . . . 10.08 109.299 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 75.1 mm-40 -119.14 143.78 47.01 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.635 -0.665 . . . . 9.12 109.374 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.86 157.95 44.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.527 -0.733 . . . . 5.44 109.397 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -110.11 127.83 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.594 -0.691 . . . . 5.04 109.348 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 56.2 t0 -123.42 131.11 53.55 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.58 -0.7 . . . . 3.45 109.562 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -173.2 -75.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.03 109.154 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -74.39 -11.04 60.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.332 -0.855 . . . . 2.24 109.406 179.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -60.0 -37.25 79.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.8 109.627 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.09 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 0.27 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 0.23 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 47' ' ' ALA . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.23 108.854 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.34 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.78 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 0.2 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.22 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 3.73 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.39 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 0.43 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.14 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 1.78 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.25 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.36 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 0.71 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.56 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.35 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 1.51 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 0.94 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.14 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.16 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.63 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 0.38 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.22 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 2.97 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.59 109.949 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.47 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.64 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.41 108.596 178.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 0.22 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 1.73 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.3 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 0.46 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 0.23 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.17 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 0.33 109.369 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.27 109.357 179.657 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.95 -20.36 15.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.48 109.306 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.06 -4.06 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 1.15 109.51 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.5 mt -130.08 77.18 76.92 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 121.47 -0.769 . . . . 1.62 109.248 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 C-N-CA 120.977 1.118 . . . . 3.05 112.153 -179.869 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.015 -0.735 . . . . 22.77 109.015 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -137.98 44.5 2.17 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.379 -0.826 . . . . 20.19 109.196 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.17 140.77 58.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.211 -0.931 . . . . 18.43 109.623 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.426 HG13 ' H ' ' A' ' 6' ' ' VAL . 36.7 pt -137.07 -141.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 17.72 109.436 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -60.02 -34.25 73.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.057 -1.027 . . . . 17.24 109.273 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' H ' HG13 ' A' ' 4' ' ' ILE . 33.1 m -129.12 159.69 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.891 -0.781 . . . . 15.09 108.891 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.5 pt? -73.22 137.77 45.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.126 -0.984 . . . . 15.83 109.849 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -80.07 135.26 36.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.137 -0.977 . . . . 14.06 109.103 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.25 14.11 0.05 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 12.57 109.542 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.56 139.94 57.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.273 -0.892 . . . . 12.83 109.324 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 14.6 t-160 -87.12 110.2 19.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 11.05 109.383 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 95.9 m-20 -139.4 150.02 44.79 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.532 -0.73 . . . . 10.08 109.473 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -154.1 159.53 41.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 9.12 109.355 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.86 99.6 12.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.175 -0.953 . . . . 5.44 109.169 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.0 p -146.23 142.79 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.284 -0.885 . . . . 5.04 109.432 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -84.18 110.03 18.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 3.45 109.093 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.87 71.63 8.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 2.03 109.442 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -159.9 -51.66 0.05 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.319 -0.863 . . . . 2.24 109.331 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -61.12 -52.31 65.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.8 109.47 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.09 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 0.27 110.14 -179.778 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 0.23 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.23 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' ALA . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 0.34 109.134 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 0.78 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 0.2 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.22 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 3.73 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.39 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.43 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.14 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.686 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 1.78 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.25 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.36 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 0.71 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.56 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.529 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.35 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 40' ' ' TYR . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 1.51 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 0.94 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.14 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.16 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 0.63 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 0.38 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.653 HD21 HD12 ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.22 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 2.97 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.59 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 0.47 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.64 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.41 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 0.22 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 1.73 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 0.3 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 0.46 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 0.23 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.17 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 0.33 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.27 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.1 93.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 0.48 109.094 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.03 75.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 1.15 109.569 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 150.01 95.33 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 1.62 108.777 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 117.931 -0.945 . . . . 3.05 111.924 179.847 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.205 -0.665 . . . . 22.77 109.205 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 4' ' ' ILE . 35.5 ttpt -149.23 158.96 44.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.794 . . . . 20.19 109.125 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.83 60.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 18.43 109.649 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 2' ' ' LYS . 18.6 tt -130.01 130.05 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.64 -0.874 . . . . 17.72 108.64 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -107.3 6.13 28.18 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.411 -0.806 . . . . 17.24 110.079 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.41 149.68 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.48 -0.762 . . . . 15.09 109.637 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.68 -108.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 15.83 109.332 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -101.07 59.9 0.92 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -0.898 . . . . 14.06 109.385 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -27.04 68.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.167 -0.958 . . . . 12.57 109.523 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.619 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 5.0 pm0 -85.64 41.83 0.93 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.305 -0.872 . . . . 12.83 109.383 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.0 -43.22 95.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.142 -0.974 . . . . 11.05 108.811 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -93.05 87.63 5.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.267 -0.896 . . . . 10.08 109.267 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -70.66 145.38 50.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.119 . . . . 9.12 109.82 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.75 170.0 8.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.593 -0.692 . . . . 5.44 109.911 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 135.28 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.374 -0.829 . . . . 5.04 109.773 -179.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.92 138.22 57.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 3.45 109.268 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 2.03 110.103 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.76 -40.05 91.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 2.24 110.158 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.0 -40.28 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.964 -1.085 . . . . 0.8 109.841 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.09 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 0.27 110.088 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 0.23 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.23 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.34 109.736 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 0.78 109.539 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 0.2 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.22 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 3.73 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.39 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 0.43 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 1.78 109.583 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.25 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.36 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 0.71 108.893 179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.56 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.35 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 1.51 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CD1' HD12 ' A' ' 60' ' ' ILE . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.94 110.649 -178.826 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.14 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.16 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.63 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 0.38 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.22 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.97 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.59 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.47 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.64 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 0.22 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 1.73 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.3 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 0.46 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 0.23 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.17 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 40' ' ' TYR . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 0.33 109.4 -178.661 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 61' ' ' LEU . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.27 109.283 179.46 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 -10.04 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.48 109.49 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.43 -56.07 11.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.15 109.453 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.03 150.02 96.25 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 1.62 109.179 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 118.0 -0.917 . . . . 3.05 111.927 179.651 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.039 -1.097 . . . . 0.8 108.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.09 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.27 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 0.23 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.23 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.34 110.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 0.78 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 0.2 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.22 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 3.73 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.39 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 0.43 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.14 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 1.78 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.25 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.36 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 0.71 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.56 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.35 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 1.51 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 0.94 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.14 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.16 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 0.63 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 0.38 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.22 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 2.97 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.59 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 0.47 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.64 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.41 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 0.22 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 1.73 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 0.3 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 0.46 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 0.23 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.17 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 0.33 110.072 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 61' ' ' LEU . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.27 109.205 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.48 109.803 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.182 0.515 . . . . 0.8 109.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.09 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.27 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.23 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.23 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.34 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.78 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.2 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 HD21 ' HE2' ' A' ' 41' ' ' LYS . 24.4 t-20 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.22 109.652 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 3.73 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.39 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 0.43 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.14 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 1.78 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.25 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.36 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 0.71 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.56 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.35 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 1.51 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 0.94 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.14 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.16 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 0.63 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.38 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.22 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 2.97 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.59 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 0.47 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.64 108.133 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.41 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 0.22 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 1.73 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.3 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 0.46 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 0.23 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.17 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 0.33 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.27 108.91 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 0.48 109.727 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.238 0.542 . . . . 0.8 110.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.09 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 0.27 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.23 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.23 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.34 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 26' ' ' LEU . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 0.78 109.526 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 0.2 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.22 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 3.73 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.39 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 0.43 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.14 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 1.78 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.25 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.36 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 0.71 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.56 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.35 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 1.51 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 0.94 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' CE ' HD21 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.14 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.16 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.63 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 57' ' ' ILE . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.38 109.544 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.22 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 2.97 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.59 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 0.47 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.64 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 0.22 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 1.73 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 0.3 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.46 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 44' ' ' ILE . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 0.23 108.159 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.17 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 0.33 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 61' ' ' LEU . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.27 109.531 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 0.48 109.58 179.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.233 0.54 . . . . 0.8 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 20' ' ' LEU . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.09 108.192 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 0.27 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 0.23 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.23 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 0.34 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 0.78 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.2 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.22 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 3.73 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.39 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 0.43 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 1.78 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.25 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.36 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 0.71 109.096 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.56 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.35 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 1.51 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 0.94 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.14 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.16 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.63 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 0.38 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.22 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 2.97 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.59 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 0.47 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.64 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.41 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 0.22 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 1.73 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 0.3 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 0.46 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 0.23 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.17 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 0.33 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 61' ' ' LEU . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.27 109.33 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 0.48 109.688 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.225 0.536 . . . . 0.8 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.09 109.441 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 0.27 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 0.23 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.23 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 0.34 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 0.78 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.2 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.22 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 3.73 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.39 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 0.43 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 1.78 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.25 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.36 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 0.71 108.828 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.56 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.35 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 1.51 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CD2' HG12 ' A' ' 36' ' ' VAL . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 0.94 110.527 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HZ1' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.14 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.16 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 0.63 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 0.38 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.22 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 2.97 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.59 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 0.47 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.64 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.41 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 0.22 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 1.73 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.3 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 0.46 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 0.23 107.929 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.17 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 0.33 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 57' ' ' ILE . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.27 109.592 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 0.48 108.843 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.025 0.441 . . . . 0.8 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.09 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 0.27 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 0.23 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.23 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 0.34 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 0.78 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.2 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.22 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 3.73 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.39 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 0.43 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.14 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 1.78 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.25 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.36 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' TYR . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 0.71 108.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.56 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.35 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 1.51 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 0.94 110.457 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.14 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.16 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 0.63 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 0.38 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.22 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 2.97 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.59 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 50' ' ' VAL . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 0.47 109.938 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.64 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.41 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 0.22 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 1.73 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 0.3 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 0.46 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 0.23 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.17 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 0.33 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.27 109.336 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 0.48 109.207 -179.635 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.42 -0.585 . . . . 0.8 109.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 ' NZ ' ' A' ' 24' ' ' LYS . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.09 109.603 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 0.27 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 0.23 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' NZ ' HD11 ' A' ' 20' ' ' LEU . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.23 109.125 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 0.34 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 0.78 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.2 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.22 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 3.73 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.39 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 0.43 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.14 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 1.78 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.25 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.36 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 0.71 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.56 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.35 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 1.51 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 0.94 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.14 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.16 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 0.63 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 0.38 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.22 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 2.97 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 52' ' ' GLY . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.59 110.114 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' GLU . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.47 110.423 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' VAL . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.64 109.269 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' H ' HG23 ' A' ' 49' ' ' THR . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.41 110.759 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 0.22 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 1.73 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 0.3 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.46 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 0.23 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.17 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 0.33 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.27 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.48 110.306 -179.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 121.142 0.496 . . . . 0.8 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.09 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 0.27 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 0.23 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.23 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 0.34 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 0.78 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 0.2 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.22 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 3.73 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.39 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 0.43 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.14 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 1.78 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.25 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.36 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 0.71 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.48 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.56 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.35 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 1.51 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 0.94 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.14 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.16 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 0.63 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 HD23 ' A' ' 56' ' ' LEU . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 0.38 109.23 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.22 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 2.97 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.59 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 0.47 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.64 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.41 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 0.22 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 1.73 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 0.3 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 44' ' ' ILE . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 0.46 109.212 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 HD11 ' A' ' 44' ' ' ILE . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 0.23 108.995 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.17 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 0.33 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 61' ' ' LEU . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.27 109.224 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.48 109.996 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.599 -0.519 . . . . 0.8 109.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.09 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 0.27 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 0.23 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.23 108.841 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 0.34 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 0.78 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 0.2 109.753 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.22 110.128 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 3.73 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.39 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 0.43 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.14 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 1.78 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.25 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.36 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 36' ' ' VAL . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 0.71 108.972 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.56 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.35 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 1.51 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 0.94 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.14 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.16 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 0.63 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 0.38 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.22 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 2.97 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.59 109.89 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 0.47 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.64 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.493 ' H ' HG23 ' A' ' 49' ' ' THR . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.41 109.354 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 0.22 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 1.73 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 0.3 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 0.46 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.42 HD11 ' HB1' ' A' ' 27' ' ' ALA . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 0.23 109.257 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.17 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 0.33 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.27 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.48 109.334 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.975 0.417 . . . . 0.8 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.09 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 0.27 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 0.23 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.23 108.682 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 0.34 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.78 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.2 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.22 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 3.73 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.39 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 0.43 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.14 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 1.78 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.25 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.36 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 0.71 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.56 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.35 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 1.51 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 0.94 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.14 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.16 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.63 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.38 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.22 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 2.97 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.59 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.47 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.64 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.41 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 0.22 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 1.73 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 0.3 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 0.46 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 0.23 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.17 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 0.33 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.48 109.404 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.221 0.534 . . . . 0.8 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.09 108.861 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 0.27 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 0.23 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.23 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.34 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.78 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 0.2 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.22 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 3.73 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.39 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 0.43 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.14 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 1.78 109.909 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.25 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.36 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 36' ' ' VAL . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 0.71 108.668 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.56 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.35 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 1.51 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.94 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.14 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.16 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 0.63 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.38 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.22 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 2.97 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.59 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 0.47 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.64 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.41 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 0.22 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 1.73 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.3 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 0.46 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 0.23 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.17 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 0.33 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 57' ' ' ILE . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.27 109.538 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 0.48 109.053 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.549 -0.537 . . . . 0.8 109.549 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.09 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 0.27 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 0.23 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.23 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.34 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 0.78 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 0.2 110.104 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.22 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 3.73 109.157 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.39 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 0.43 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.14 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.78 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.25 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.36 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 0.71 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.56 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.35 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 1.51 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.94 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.14 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.16 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 HD21 ' A' ' 56' ' ' LEU . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 0.63 109.058 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 0.38 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' A' ' 42' ' ' ASN . 80.7 m-20 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.22 110.211 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 2.97 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.59 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.47 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.64 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.41 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 0.22 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 1.73 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 0.3 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD21 HD23 ' A' ' 43' ' ' LEU . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 0.46 109.598 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.609 HD11 ' HB1' ' A' ' 27' ' ' ALA . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 0.23 111.159 -178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.17 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 0.33 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.27 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 0.48 109.16 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 109.292 -0.633 . . . . 0.8 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.09 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.27 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 0.23 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.23 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.34 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 HD23 HH21 ' A' ' 29' ' ' ARG . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 0.78 110.043 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 0.2 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.22 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.528 HH21 HD23 ' A' ' 26' ' ' LEU . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 3.73 110.071 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.39 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.43 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.14 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 1.78 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.25 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.36 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 0.71 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.56 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.35 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 1.51 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.584 ' CD2' HG22 ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 0.94 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.14 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.16 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 0.63 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 0.38 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.22 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 2.97 109.638 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.59 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 0.47 110.258 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 50' ' ' VAL . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.64 107.431 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.41 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 0.22 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 1.73 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 0.3 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 0.46 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 0.23 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.17 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 0.33 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.27 109.085 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 0.48 109.258 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.141 -0.689 . . . . 0.8 109.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.09 108.731 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.27 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 0.23 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.23 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 0.34 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.78 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 0.2 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 HD21 ' CE ' ' A' ' 41' ' ' LYS . 17.9 t-20 -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.22 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 3.73 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.39 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.43 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.14 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 1.78 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.25 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.36 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 0.71 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.56 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.35 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 1.51 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 0.94 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.491 ' CE ' HD21 ' A' ' 28' ' ' ASN . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.14 108.88 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.16 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.63 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.22 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 2.97 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.59 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 0.47 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.64 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.41 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 0.22 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 1.73 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.3 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 0.46 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 0.23 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.17 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 0.33 110.028 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.27 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.48 110.347 -179.331 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.134 0.492 . . . . 0.8 110.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.09 109.259 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 0.27 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 0.23 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.23 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 0.34 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 0.78 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.2 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.22 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 3.73 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.39 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.14 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 1.78 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.25 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.36 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 0.71 108.656 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.56 109.916 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.35 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 1.51 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.94 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.14 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.16 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 0.63 108.963 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 0.38 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.22 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 2.97 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.59 110.951 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 0.47 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.64 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.41 109.221 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 0.22 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 1.73 110.845 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.3 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 43' ' ' LEU . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 0.46 108.959 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 61' ' ' LEU . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 0.23 108.174 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.17 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 0.33 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 61' ' ' LEU . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.27 108.911 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 0.48 109.39 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.042 -0.725 . . . . 0.8 109.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.09 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 0.27 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 0.23 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.23 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 0.34 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 0.78 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 0.2 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.22 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 3.73 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.39 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 0.43 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.14 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 1.78 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.25 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.36 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 36' ' ' VAL . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 0.71 109.176 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.56 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.35 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 1.51 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 0.94 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.14 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.16 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 0.63 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 0.38 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.22 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 2.97 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.59 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.47 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.64 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.41 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 0.22 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 1.73 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 0.3 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.46 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 0.23 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.17 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 0.33 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.27 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 0.48 109.441 -179.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.076 -0.342 . . . . 0.8 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.09 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 0.27 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 0.23 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.23 109.618 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.34 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 0.78 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 0.2 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.22 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 3.73 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.39 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 0.43 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 1.78 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.25 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.36 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 0.71 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.56 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.35 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.51 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 0.94 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.14 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.16 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.63 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.38 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.22 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 2.97 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.59 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 0.47 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.64 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.41 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 0.22 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 1.73 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.3 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 HD21 HD23 ' A' ' 43' ' ' LEU . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.46 109.157 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 0.23 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.17 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 0.33 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.27 109.221 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 0.48 109.875 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.952 0.406 . . . . 0.8 110.355 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.09 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 0.27 109.372 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 0.23 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 47' ' ' ALA . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.23 108.825 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 0.34 109.12 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.78 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 0.2 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.22 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 3.73 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.39 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 0.43 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.14 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 1.78 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.25 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.36 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 0.71 109.166 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.401 ' H ' HG12 ' A' ' 36' ' ' VAL . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.56 109.718 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.35 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.51 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 0.94 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.14 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.16 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 0.63 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 0.38 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.22 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 24' ' ' LYS . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 2.97 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 52' ' ' GLY . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.59 110.287 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 0.47 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.64 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HG23 ' A' ' 49' ' ' THR . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.41 109.377 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 0.22 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 1.73 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 0.3 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 0.46 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 0.23 108.354 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.17 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 0.33 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.27 109.372 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 0.48 109.349 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 0.8 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.09 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 0.27 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 0.23 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.23 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.34 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 0.78 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 0.2 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.22 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 3.73 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.39 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 0.43 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.14 108.121 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 1.78 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.25 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.36 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 0.71 109.137 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.56 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.35 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 1.51 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 36' ' ' VAL . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 0.94 109.493 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.14 108.519 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.16 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 0.63 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 57' ' ' ILE . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.38 108.688 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.22 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 2.97 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.59 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 0.47 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.64 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.41 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 44' ' ' ILE . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 0.22 109.535 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 1.73 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.3 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.46 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 44' ' ' ILE . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 0.23 109.638 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.17 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 0.33 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.27 109.303 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 0.48 109.321 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.18 0.514 . . . . 0.8 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.09 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 0.27 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 0.23 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.23 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.34 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 0.78 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.2 109.338 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.22 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 3.73 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.39 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 0.43 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.14 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 1.78 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.25 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.36 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.71 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.56 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.35 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 1.51 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 0.94 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.14 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.16 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 0.63 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 0.38 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.22 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 2.97 110.87 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.59 109.362 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 0.47 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.64 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.41 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 0.22 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 1.73 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 0.3 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 0.46 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 ' HB1' ' A' ' 27' ' ' ALA . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 0.23 108.188 178.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.17 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 0.33 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.27 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 0.48 109.383 179.68 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.8 109.369 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.09 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 0.27 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 0.23 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.23 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 0.34 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 0.78 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 0.2 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.22 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 3.73 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.39 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 44' ' ' ILE . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 0.43 109.499 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 1.78 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.25 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.36 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 36' ' ' VAL . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 0.71 109.527 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.56 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.35 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 1.51 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 0.94 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.14 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.16 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 0.63 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 31' ' ' LEU . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 0.38 109.018 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.22 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 2.97 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.59 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.47 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.64 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.41 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 0.22 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 1.73 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.3 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 0.46 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 0.23 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.17 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 0.33 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.27 109.209 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.48 109.548 179.929 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.094 0.473 . . . . 0.8 110.021 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.542 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.09 108.703 -179.859 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.27 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 0.23 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.23 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 0.34 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 0.78 109.644 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 0.2 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.22 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 3.73 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.39 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 0.43 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.14 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 1.78 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.25 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.36 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 0.71 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.56 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.35 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 1.51 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 0.94 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.14 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.16 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 0.63 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 0.38 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.22 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 2.97 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.59 109.397 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 0.47 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.64 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.41 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 49' ' ' THR . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 0.22 110.66 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 1.73 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 0.3 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.46 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 0.23 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.17 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 0.33 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 57' ' ' ILE . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.27 109.486 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 0.48 108.983 179.641 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.052 0.453 . . . . 0.8 110.295 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.09 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 0.27 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.23 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.23 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 0.34 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 0.78 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 0.2 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.22 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 3.73 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.39 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 0.43 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.14 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 1.78 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.25 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.36 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 0.71 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.56 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.35 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 1.51 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 0.94 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.14 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.16 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 0.63 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 0.38 108.774 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.22 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 2.97 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.59 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 0.47 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.64 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.41 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 0.22 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 1.73 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.3 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 0.46 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 44' ' ' ILE . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 0.23 107.935 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.17 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 0.33 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.27 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 0.48 109.221 179.72 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.021 0.439 . . . . 0.8 109.863 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.09 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 0.27 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 0.23 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.23 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.34 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.78 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 0.2 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.402 HD21 ' HE2' ' A' ' 41' ' ' LYS . 27.6 t-20 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.22 110.962 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.466 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 3.73 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.39 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 0.43 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.14 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 1.78 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.25 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.36 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 0.71 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.56 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.35 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 1.51 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 0.94 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HE2' HD21 ' A' ' 28' ' ' ASN . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.14 109.113 -178.334 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.16 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 0.63 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.38 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.22 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 2.97 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.59 109.629 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 0.47 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.64 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' HG23 ' A' ' 49' ' ' THR . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 0.22 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 1.73 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 0.3 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 0.46 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 0.23 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.17 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 0.33 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.27 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 0.48 109.699 179.923 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.002 0.43 . . . . 0.8 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.09 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 0.27 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 0.23 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.23 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 0.34 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 0.78 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 0.2 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.419 HD21 ' HE3' ' A' ' 41' ' ' LYS . 28.1 t-20 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.22 111.234 -179.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 3.73 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.39 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.14 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.78 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.25 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.36 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 0.71 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.56 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.35 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 1.51 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 0.94 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.14 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.16 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 0.63 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 0.38 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.22 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 2.97 110.561 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.59 109.536 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 0.47 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.64 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.41 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 0.22 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 1.73 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 0.3 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 0.46 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 0.23 107.996 179.2 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.17 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 0.33 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.27 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.48 109.513 -179.989 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.271 -0.64 . . . . 0.8 109.271 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.09 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 0.27 109.453 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.23 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.23 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.34 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 26' ' ' LEU . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 0.78 108.166 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 0.2 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.22 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 3.73 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.39 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 0.43 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.14 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 1.78 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.25 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.36 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 37' ' ' SER . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 0.71 109.368 179.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.56 109.831 -179.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.35 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 1.51 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 0.94 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.14 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.16 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 0.63 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 0.38 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.22 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 2.97 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 52' ' ' GLY . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.59 110.831 -178.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' GLU . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 0.47 110.483 -179.469 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' VAL . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.64 108.737 -179.121 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' H ' HG23 ' A' ' 49' ' ' THR . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.41 108.605 178.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 0.22 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 1.73 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 0.3 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 0.46 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 0.23 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.17 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 0.33 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.27 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.48 109.861 -179.869 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.135 0.493 . . . . 0.8 110.076 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.09 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 0.27 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.23 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.23 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.34 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 0.78 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.2 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.446 HD21 ' CE ' ' A' ' 41' ' ' LYS . 21.4 t-20 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.22 109.691 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 3.73 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.39 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 0.43 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.14 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 1.78 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.25 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.36 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 36' ' ' VAL . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 0.71 109.426 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.56 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.35 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 1.51 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 0.94 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' CE ' HD21 ' A' ' 28' ' ' ASN . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.14 108.702 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.16 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 0.63 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 0.38 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.22 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 2.97 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.59 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 0.47 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.64 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.41 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 0.22 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 1.73 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 0.3 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 0.46 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 0.23 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.17 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 0.33 108.945 -179.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.27 110.856 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 0.48 109.337 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.627 -0.508 . . . . 0.8 109.627 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.09 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 0.27 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 0.23 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 47' ' ' ALA . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.23 108.854 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.34 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.78 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 0.2 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.22 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 3.73 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.39 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 0.43 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.14 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 1.78 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.25 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.36 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 0.71 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.56 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.35 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 1.51 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 0.94 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.14 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.16 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.63 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 0.38 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.22 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 2.97 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.59 109.949 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.47 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.64 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.41 108.596 178.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 0.22 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 1.73 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.3 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 0.46 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 0.23 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.17 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 0.33 109.369 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.27 109.357 179.657 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.48 109.306 179.869 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.382 0.61 . . . . 0.8 109.47 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.09 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 0.27 110.14 -179.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 0.23 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.23 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' ALA . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 0.34 109.134 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 0.78 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 0.2 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.22 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 3.73 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.495 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.39 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.43 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.14 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.686 ' HZ2' ' HB2' ' A' ' 33' ' ' LYS . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 1.78 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.25 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.36 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 0.71 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.56 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.529 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.35 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 40' ' ' TYR . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 1.51 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 0.94 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.14 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.16 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 0.63 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 0.38 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.653 HD21 HD12 ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.22 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 2.97 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.59 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 0.47 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.64 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.41 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 0.22 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 1.73 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 0.3 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 0.46 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 0.23 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.17 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 0.33 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.27 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 0.48 109.094 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.219 0.533 . . . . 0.8 109.841 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.09 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 0.27 110.088 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 0.23 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.23 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.34 109.736 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 0.78 109.539 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 0.2 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.22 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 3.73 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.39 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 0.43 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 1.78 109.583 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.25 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.36 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 0.71 108.893 179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.56 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.35 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 1.51 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CD1' HD12 ' A' ' 60' ' ' ILE . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.94 110.649 -178.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.14 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.16 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.63 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 0.38 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.22 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.97 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.59 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.47 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.64 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 0.22 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 1.73 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.3 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 0.46 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 0.23 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.17 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 40' ' ' TYR . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 0.33 109.4 -178.661 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 61' ' ' LEU . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.27 109.283 179.46 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.48 109.49 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.604 -0.517 . . . . 22.77 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.81 140.0 57.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 20.19 109.397 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.86 -37.85 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 18.43 109.239 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.1 mt -88.41 138.07 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.469 -0.769 . . . . 17.72 109.704 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.1 150.29 45.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 17.24 108.956 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -51.5 -54.82 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 15.09 110.021 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.96 125.83 30.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.075 -1.016 . . . . 15.83 109.01 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -157.98 162.42 38.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.274 -0.891 . . . . 14.06 109.307 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.17 0.64 51.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.267 -0.895 . . . . 12.57 109.82 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 59.9 tt0 -60.01 -50.04 75.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.008 -1.057 . . . . 12.83 109.73 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 41.4 m-70 -163.0 158.97 22.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.049 -1.032 . . . . 11.05 109.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -158.4 -176.82 6.12 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.732 -0.84 . . . . 10.08 108.732 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.93 -40.06 87.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.916 -1.115 . . . . 9.12 108.632 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.34 126.8 39.83 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.299 -1.001 . . . . 5.44 108.299 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.23 -178.14 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.386 -0.821 . . . . 5.04 110.135 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.23 -10.04 4.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.638 -0.664 . . . . 3.45 110.201 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.93 -59.69 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.038 -1.039 . . . . 2.03 109.351 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -89.89 70.0 7.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.056 -1.027 . . . . 2.24 109.0 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.4 t -157.86 -49.26 0.07 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.039 -1.097 . . . . 0.8 108.039 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.4 -40.09 89.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.717 -1.216 . . . . 1.09 107.717 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.12 -54.56 44.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.27 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.41 -41.33 98.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.025 -1.047 . . . . 1.27 109.05 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.46 90.08 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.43 -0.794 . . . . 0.23 109.377 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.33 -39.99 77.85 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.337 -0.852 . . . . 1.23 109.21 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -65.25 -45.07 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.34 110.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.62 -39.81 84.68 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.13 -0.981 . . . . 0.78 110.025 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.03 65.38 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.713 -1.242 . . . . 0.2 109.915 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -62.37 -41.38 98.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.22 111.733 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.32 -36.15 79.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.607 -1.308 . . . . 3.73 110.567 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.0 -40.27 88.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.841 -1.162 . . . . 1.39 109.277 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.02 -49.96 75.63 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.087 -1.079 . . . . 0.43 108.087 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -60.02 -39.98 87.69 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.535 -0.913 . . . . 1.14 108.535 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.93 -49.56 76.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.494 -0.754 . . . . 1.78 109.176 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -70.07 -35.11 73.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.208 -0.933 . . . . 1.25 109.781 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.97 29.11 16.18 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.591 -1.404 . . . . 0.36 109.591 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -70.84 -175.61 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.165 -1.197 . . . . 0.71 109.092 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -69.98 160.05 32.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.963 -1.085 . . . . 1.56 109.843 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -82.92 -2.89 56.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.451 -0.781 . . . . 2.35 109.36 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -69.31 -40.0 77.92 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.909 -1.119 . . . . 1.51 108.936 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -67.44 -39.35 85.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.508 -0.745 . . . . 0.94 111.021 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.2 -35.9 80.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.656 -1.278 . . . . 2.14 108.954 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -66.05 -39.95 90.56 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.469 -0.937 . . . . 1.16 108.469 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.523 -0.736 . . . . 0.63 109.428 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -60.05 -43.02 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 108.349 -0.982 . . . . 0.38 108.349 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -51.4 -30.21 18.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.385 -0.822 . . . . 1.46 109.499 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -90.45 2.26 55.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.264 -0.898 . . . . 1.22 110.511 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.03 136.62 58.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.833 -1.167 . . . . 1.49 109.255 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -100.5 -3.66 30.31 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.342 -0.849 . . . . 2.97 110.872 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -157.21 153.58 27.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.658 -1.276 . . . . 1.59 110.374 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.66 -41.32 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.494 -0.754 . . . . 0.47 109.701 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -59.96 -34.51 73.37 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.06 -1.089 . . . . 2.64 108.06 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.77 73.55 Favored Glycine 0 N--CA 1.481 1.693 0 N-CA-C 108.178 -1.969 . . . . 0.41 108.178 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.96 -49.91 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.427 -1.043 . . . . 0.22 109.861 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -69.62 -39.93 76.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.168 -0.957 . . . . 1.73 110.818 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.99 -28.48 65.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.159 -0.963 . . . . 0.3 110.708 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -70.09 -41.16 74.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.924 -1.11 . . . . 0.46 108.96 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.94 -37.39 79.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.58 -0.896 . . . . 0.23 108.58 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.01 -40.11 88.09 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.513 -0.875 . . . . 1.17 109.203 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.249 -0.907 . . . . 1.04 108.699 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.46 -43.25 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 121.532 -0.73 . . . . 0.33 110.072 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 61' ' ' LEU . 63.1 mt -70.0 -36.12 74.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.999 -1.063 . . . . 1.27 109.205 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 64' ' ' LEU . . . -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.48 109.803 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 12.33 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.208 -0.933 . . . . 1.15 109.999 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 62' ' ' ALA . 82.0 mt -130.06 76.46 78.0 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.364 -0.835 . . . . 1.62 109.513 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 C-N-CA 120.956 1.104 . . . . 3.05 111.95 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.307 -0.627 . . . . 22.77 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -80.01 -10.4 59.77 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.02 -1.05 . . . . 20.19 109.629 -179.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.81 68.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 18.43 109.3 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.8 mt -121.01 130.08 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 109.395 -0.594 . . . . 17.72 109.395 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -127.78 98.05 5.04 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.41 -0.806 . . . . 17.24 109.446 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -148.47 -13.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 15.09 108.92 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.0 mp -70.01 -17.86 63.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.397 -0.814 . . . . 15.83 109.373 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -49.56 135.15 18.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.403 -0.811 . . . . 14.06 109.91 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.92 139.93 53.47 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.437 0.636 . . . . 12.57 109.574 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -71.0 147.9 48.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.37 -0.831 . . . . 12.83 109.026 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.92 97.22 0.1 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.026 -1.046 . . . . 11.05 109.292 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 56.4 t0 -152.1 140.21 20.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 10.08 109.083 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 99.3 mt-10 -79.25 130.06 35.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 9.12 109.502 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.41 138.3 47.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 5.44 109.075 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -101.84 128.77 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.226 -0.921 . . . . 5.04 109.059 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -101.06 171.08 7.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.374 -0.829 . . . . 3.45 109.357 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.38 60.42 6.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.953 . . . . 2.03 109.093 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.7 -52.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 2.24 109.654 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -62.53 -39.29 93.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.8 109.677 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 29.9 tp -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.09 109.485 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -41.67 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.27 109.84 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -40.03 87.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 1.27 109.986 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.01 93.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.23 109.718 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 30.0 mtmm -69.31 -39.98 77.94 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 1.23 108.842 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -49.94 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.34 109.063 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -39.99 96.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.78 109.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.42 75.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.2 109.64 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 HD21 ' HE2' ' A' ' 41' ' ' LYS . 24.4 t-20 -59.92 -40.04 87.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.184 -0.947 . . . . 0.22 109.652 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -69.1 -35.09 76.09 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.114 -0.991 . . . . 3.73 110.479 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.685 -1.259 . . . . 1.39 110.652 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' C ' ' OG ' ' A' ' 37' ' ' SER . 9.9 mt -69.91 -26.92 64.38 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.832 -1.168 . . . . 0.43 108.362 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.08 -43.22 95.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.748 -0.595 . . . . 1.14 110.035 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -69.73 -40.15 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.653 -1.279 . . . . 1.78 108.828 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.25 109.218 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.15 -6.35 78.66 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 110.168 -1.173 . . . . 0.36 110.168 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.8 30.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.249 . . . . 0.71 109.609 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.9 m -80.02 -69.41 0.59 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.315 -0.866 . . . . 1.56 110.681 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 37' ' ' SER . 95.9 m-20 -0.61 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 113.518 0.933 . . . . 2.35 113.518 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.99 -47.16 86.98 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.942 -1.099 . . . . 1.51 110.878 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.34 -20.62 66.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.048 -1.033 . . . . 0.94 111.129 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 37' ' ' SER . 1.9 ptmm? -69.44 -40.05 77.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.66 -1.275 . . . . 2.14 108.846 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -67.63 -38.29 83.67 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.528 -0.732 . . . . 1.16 109.311 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.0 -40.5 89.41 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.465 -0.772 . . . . 0.63 109.373 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.9 -42.15 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.38 108.668 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.34 -30.52 66.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 1.46 109.616 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.34 7.94 23.52 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.29 -0.881 . . . . 1.22 110.042 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.96 133.61 56.26 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.05 -1.031 . . . . 1.49 110.086 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -112.73 -10.02 13.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.5 -0.75 . . . . 2.97 109.862 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 p -130.95 142.28 50.34 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.309 -0.869 . . . . 1.59 109.532 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.47 -42.47 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.32 -0.863 . . . . 0.47 109.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 38.0 mp0 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.133 -1.062 . . . . 2.64 108.133 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.51 -35.12 90.61 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 109.442 -1.463 . . . . 0.41 109.442 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.18 -50.01 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.0 -1.294 . . . . 0.22 109.842 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -36.7 60.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.069 -1.019 . . . . 1.73 110.581 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.81 77.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.3 109.951 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.96 -47.62 85.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.458 -0.941 . . . . 0.46 108.458 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.7 -37.91 77.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.719 -0.845 . . . . 0.23 108.719 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.94 87.56 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.203 -0.999 . . . . 1.17 108.765 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -70.08 -39.91 75.3 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.366 -0.834 . . . . 1.04 108.771 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.62 -43.09 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.434 -0.791 . . . . 0.33 109.869 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 61' ' ' LEU . 64.4 mt -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.078 -1.014 . . . . 1.27 108.91 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.61 66.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.209 -0.932 . . . . 0.48 109.727 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.51 44.45 2.97 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.363 -0.836 . . . . 1.15 110.317 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.01 149.98 96.29 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.892 -1.13 . . . . 1.62 108.202 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 CA-C-O 117.993 -0.92 . . . . 3.05 111.889 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.605 -0.517 . . . . 22.77 109.605 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.65 140.4 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.149 -0.969 . . . . 20.19 109.006 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 -172.05 3.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 18.43 109.46 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' CG1' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -110.01 -97.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.626 -0.671 . . . . 17.72 109.381 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' H ' ' CG1' ' A' ' 4' ' ' ILE . 86.6 m-85 -66.87 -38.0 85.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.291 -0.88 . . . . 17.24 110.532 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 t -79.1 108.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.919 -1.113 . . . . 15.09 109.346 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -159.98 -41.41 0.05 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 15.83 109.404 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.51 121.44 10.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.167 -0.958 . . . . 14.06 109.902 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.42 -40.02 74.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.491 -0.756 . . . . 12.57 109.704 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -67.18 140.04 57.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.402 -0.811 . . . . 12.83 109.572 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 12' ' ' ASP . 4.2 t60 -159.6 163.23 35.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -0.895 . . . . 11.05 109.105 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 94.6 m-20 -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.177 -0.952 . . . . 10.08 110.146 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 140.02 57.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.204 -0.935 . . . . 9.12 109.913 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -152.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 5.44 109.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.55 -38.6 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 5.04 109.341 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -130.65 121.09 24.95 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.352 -0.843 . . . . 3.45 109.585 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.89 -10.77 38.4 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 2.03 109.733 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.01 -41.09 91.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 2.24 110.199 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -59.88 -44.05 94.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.8 110.034 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.06 -49.87 75.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.243 -0.911 . . . . 1.09 108.964 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -42.22 67.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.471 -0.768 . . . . 0.27 110.735 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.51 -40.03 93.12 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.055 -1.028 . . . . 1.27 109.888 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.78 90.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.222 -0.924 . . . . 0.23 108.759 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.25 -40.02 78.12 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.346 -0.846 . . . . 1.23 109.417 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.19 -50.11 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.34 109.693 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 26' ' ' LEU . 91.1 mt -66.03 -39.78 90.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.433 -0.792 . . . . 0.78 109.526 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.27 86.04 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.215 -0.928 . . . . 0.2 109.973 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' CE ' ' A' ' 41' ' ' LYS . 33.5 t-20 -60.21 -40.17 89.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.215 -0.928 . . . . 0.22 110.424 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -64.9 -35.43 81.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.181 -0.949 . . . . 3.73 110.425 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.021 -1.049 . . . . 1.39 109.972 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.97 -50.71 72.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.937 -1.102 . . . . 0.43 108.124 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.03 -40.01 87.85 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.048 -0.723 . . . . 1.14 109.048 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.96 -49.45 77.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.519 -0.738 . . . . 1.78 109.423 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.99 -39.6 75.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.107 -0.995 . . . . 1.25 109.667 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.94 26.66 4.89 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.566 -1.414 . . . . 0.36 109.566 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.26 166.6 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.277 -1.131 . . . . 0.71 109.289 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.1 p -60.02 160.14 8.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.238 -0.914 . . . . 1.56 109.461 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -89.03 13.36 13.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 2.35 109.893 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -83.01 -45.11 14.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.049 -1.032 . . . . 1.51 109.825 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -61.21 -33.2 73.1 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.84 . . . . 0.94 111.284 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' CE ' HD21 ' A' ' 28' ' ' ASN . 17.3 ptmt -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.7 -1.25 . . . . 2.14 108.206 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.7 t30 -63.08 -40.0 96.37 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.672 -0.811 . . . . 1.16 108.984 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.96 -43.24 95.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.63 109.362 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 57' ' ' ILE . 81.4 mt -60.51 -40.03 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.044 -1.035 . . . . 0.38 109.544 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -67.12 -20.58 65.8 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.222 -0.924 . . . . 1.46 108.959 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -99.61 7.69 45.03 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.318 -0.864 . . . . 1.22 109.709 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 136.5 57.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.06 -1.025 . . . . 1.49 109.785 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -2.15 57.66 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.247 -0.908 . . . . 2.97 109.715 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -160.02 149.96 18.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.978 -1.076 . . . . 1.59 109.878 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.64 -25.15 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.335 -0.853 . . . . 0.47 109.582 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.98 -39.9 87.27 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.127 -1.064 . . . . 2.64 108.127 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.39 66.69 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.17 -49.55 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.936 -1.332 . . . . 0.22 110.295 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -69.99 -33.06 71.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.927 -1.108 . . . . 1.73 110.069 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.76 69.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 0.3 109.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.9 -39.27 76.32 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.46 109.21 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 44' ' ' ILE . 34.9 mm -73.41 -38.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.324 -1.485 . . . . 0.23 108.159 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.459 -0.775 . . . . 1.17 110.44 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.0 -38.46 75.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.943 -1.098 . . . . 1.04 108.603 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -70.09 -40.22 78.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.527 -0.733 . . . . 0.33 109.459 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 61' ' ' LEU . 80.2 mt -80.56 -11.01 59.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.27 109.531 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.94 94.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.037 -1.039 . . . . 0.48 109.58 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.87 78.61 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 1.15 109.693 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.15 149.99 89.7 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 1.62 109.101 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 117.909 -0.955 . . . . 3.05 111.919 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.237 -0.653 . . . . 22.77 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.98 -40.55 89.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 20.19 109.637 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.3 158.49 29.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 18.43 109.355 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.512 HG12 ' H ' ' A' ' 6' ' ' VAL . 11.4 tt -150.4 149.14 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.141 -0.975 . . . . 17.72 109.379 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -60.18 -40.2 89.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.179 -0.951 . . . . 17.24 109.958 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 4' ' ' ILE . 4.0 m -103.15 126.94 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.369 -0.832 . . . . 15.09 109.353 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 9' ' ' ALA . 7.4 tt -106.84 115.8 30.82 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.38 -0.825 . . . . 15.83 108.792 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.65 -6.5 12.75 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.77 . . . . 14.06 109.49 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 7' ' ' LEU . . . -120.46 110.11 16.1 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.971 -0.751 . . . . 12.57 108.971 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -111.78 127.32 55.77 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.472 -0.767 . . . . 12.83 109.275 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -140.04 10.32 2.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.348 -0.845 . . . . 11.05 109.394 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -60.58 -39.94 89.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.92 . . . . 10.08 109.771 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -168.51 -50.08 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 9.12 109.057 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.01 78.18 9.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.377 -0.827 . . . . 5.44 109.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.44 -45.14 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.301 -0.874 . . . . 5.04 108.972 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -141.27 162.57 35.17 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.226 -0.921 . . . . 3.45 109.536 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.74 -0.92 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 2.03 109.147 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -60.08 -40.26 88.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.422 -0.799 . . . . 2.24 109.792 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.9 t -60.11 -46.47 89.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.114 -0.991 . . . . 0.8 109.685 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 20' ' ' LEU . 5.7 tt -59.98 -49.4 77.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.034 -1.041 . . . . 1.09 108.192 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -31.15 71.39 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.479 -0.763 . . . . 0.27 109.728 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.289 -0.882 . . . . 1.27 109.212 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.88 89.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.069 -1.019 . . . . 0.23 108.333 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.61 -41.15 93.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.345 -0.847 . . . . 1.23 108.752 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.58 -46.93 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.427 -0.796 . . . . 0.34 109.335 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.87 -40.18 96.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -0.915 . . . . 0.78 109.483 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.3 -31.99 66.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.2 109.73 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.02 -45.38 92.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.243 -0.911 . . . . 0.22 110.254 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.01 -30.06 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 3.73 109.954 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -40.21 88.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.39 109.886 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.12 -48.71 80.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.768 -1.207 . . . . 0.43 108.269 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.76 -31.08 69.32 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.322 -0.861 . . . . 1.78 109.35 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -92.74 -5.38 51.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 1.25 109.448 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.92 25.74 61.7 Favored Glycine 0 N--CA 1.493 2.496 0 C-N-CA 120.075 -1.06 . . . . 0.36 110.86 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -66.65 160.01 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.381 . . . . 0.71 109.096 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -52.22 146.02 9.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 1.56 109.533 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 34.4 p-10 -69.99 -16.47 63.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -0.777 . . . . 2.35 110.088 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.95 -40.6 89.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 1.51 110.922 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -59.88 -35.36 74.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.13 -0.981 . . . . 0.94 111.484 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -61.27 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.472 -1.393 . . . . 2.14 108.507 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -66.93 -38.58 86.43 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.493 -0.754 . . . . 1.16 109.688 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.5 tp -59.95 -42.3 93.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.63 109.746 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.29 -40.05 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.86 -1.15 . . . . 0.38 109.501 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -44.81 -23.27 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.447 -0.783 . . . . 1.46 110.721 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 37.5 p-10 -90.23 -1.07 57.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.655 -1.278 . . . . 1.22 110.302 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.18 136.2 47.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.933 -1.104 . . . . 1.49 109.354 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -108.77 -28.06 9.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.384 -0.823 . . . . 2.97 109.484 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -102.6 139.61 37.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.306 -0.871 . . . . 1.59 109.87 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.61 -45.73 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.875 . . . . 0.47 109.433 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -60.09 -37.12 79.0 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.056 -1.09 . . . . 2.64 108.056 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.81 -31.43 75.73 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 108.866 -1.694 . . . . 0.41 108.866 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.13 -54.52 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.118 -1.224 . . . . 0.22 109.621 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -64.23 -39.88 94.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.123 -0.986 . . . . 1.73 109.566 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.451 -0.781 . . . . 0.3 110.488 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.06 -40.13 78.69 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.947 -1.096 . . . . 0.46 108.42 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.09 -40.03 82.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.603 -1.258 . . . . 0.23 107.603 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.02 -40.16 88.32 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.592 -0.843 . . . . 1.17 109.062 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.43 -39.98 74.08 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.233 -0.917 . . . . 1.04 108.703 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.05 -44.02 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.501 -0.749 . . . . 0.33 109.81 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 61' ' ' LEU . 62.3 mt -69.38 -39.86 77.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 1.27 109.33 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.77 -27.64 67.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.293 -0.879 . . . . 0.48 109.688 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.07 91.1 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.15 109.987 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.06 149.96 96.22 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.998 -1.063 . . . . 1.62 109.146 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.493 1.446 0 CA-C-O 118.004 -0.915 . . . . 3.05 111.821 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.43 -0.581 . . . . 22.77 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 0.3 57.57 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.286 -0.884 . . . . 20.19 108.967 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.96 131.43 39.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.415 -0.803 . . . . 18.43 109.668 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 4' ' ' ILE . 27.9 pt -138.48 172.29 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.37 -0.831 . . . . 17.72 108.965 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -49.91 137.58 16.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.952 -1.093 . . . . 17.24 108.962 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.95 134.87 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.86 . . . . 15.09 110.137 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.1 pp -168.45 -12.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.404 -0.81 . . . . 15.83 109.312 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.641 ' N ' HD12 ' A' ' 7' ' ' LEU . 36.1 p-10 -70.6 -39.43 73.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.479 -0.763 . . . . 14.06 110.236 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -91.81 151.97 20.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.256 -0.902 . . . . 12.57 110.467 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASP . 97.8 mt-30 -81.23 165.38 21.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.481 -0.762 . . . . 12.83 109.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -41.89 91.45 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.51 -0.744 . . . . 11.05 110.491 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' GLN . 95.6 m-20 -61.84 -40.01 93.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.509 -0.744 . . . . 10.08 109.8 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 5.5 pm0 -58.19 -19.98 37.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 9.12 110.156 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 126.23 21.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.918 -1.114 . . . . 5.44 108.829 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.32 -49.99 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 5.04 110.066 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 23.6 p-10 -174.85 -166.45 0.24 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.208 -0.933 . . . . 3.45 109.634 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.36 -108.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 2.03 109.488 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.89 -19.62 63.41 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.945 . . . . 2.24 110.214 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -60.03 -39.95 87.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.213 -0.929 . . . . 0.8 109.725 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.5 tt -60.98 -51.72 68.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 1.09 109.441 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.83 96.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 0.27 109.782 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.334 -0.853 . . . . 1.27 109.97 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.198 -0.939 . . . . 0.23 109.271 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.51 -39.97 85.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.992 -1.067 . . . . 1.23 108.451 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.66 -48.6 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.802 . . . . 0.34 109.102 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.96 -40.14 95.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.283 -0.886 . . . . 0.78 109.195 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.63 73.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.2 109.55 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -60.02 -49.97 75.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.381 -0.824 . . . . 0.22 110.071 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -70.07 -22.78 63.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.153 -0.967 . . . . 3.73 109.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -40.4 89.02 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.083 -1.01 . . . . 1.39 109.615 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.94 -31.22 68.85 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.564 -0.902 . . . . 0.43 108.564 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 43.2 t0 -60.04 -40.0 87.9 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.874 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -60.0 -43.35 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.878 -1.139 . . . . 1.78 110.078 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -75.36 -25.41 57.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.088 -1.007 . . . . 1.25 109.668 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.79 28.04 19.91 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.239 -1.144 . . . . 0.36 110.239 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -64.36 160.98 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.967 -1.313 . . . . 0.71 108.828 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 t -60.13 158.27 11.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.23 -0.918 . . . . 1.56 110.026 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -69.98 -15.14 62.99 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.39 -0.819 . . . . 2.35 109.833 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.03 -46.72 88.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.304 -0.873 . . . . 1.51 109.894 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CD2' HG12 ' A' ' 36' ' ' VAL . 98.1 m-85 -59.94 -31.1 69.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.856 . . . . 0.94 110.527 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HZ1' ' N ' ' A' ' 32' ' ' ASP . 62.1 mmtt -59.98 -49.51 77.4 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.518 -1.289 . . . . 2.14 107.518 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -59.96 -37.03 78.41 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.996 -1.002 . . . . 1.16 109.387 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.98 -39.79 86.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.411 -0.806 . . . . 0.63 108.876 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.03 -41.25 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.892 -1.13 . . . . 0.38 108.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -59.91 -39.99 87.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.324 -0.86 . . . . 1.46 109.129 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.395 -0.816 . . . . 1.22 110.059 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.68 127.22 13.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.853 -1.154 . . . . 1.49 109.62 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.09 6.87 44.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.506 -0.746 . . . . 2.97 109.942 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -145.46 137.51 25.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.177 -0.952 . . . . 1.59 109.353 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.15 -31.32 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.502 -0.749 . . . . 0.47 111.205 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.99 -37.42 79.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.822 -1.174 . . . . 2.64 108.011 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.33 -29.88 59.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 109.404 -1.478 . . . . 0.41 109.404 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.14 -49.93 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.091 -1.24 . . . . 0.22 109.8 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -64.21 -39.99 95.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 1.73 109.393 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.49 -33.66 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.3 109.625 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.06 -49.84 76.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.24 -0.912 . . . . 0.46 109.186 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 mp -64.49 -35.54 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.929 -1.137 . . . . 0.23 107.929 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -40.1 88.07 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.576 -0.85 . . . . 1.17 109.099 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.04 108.682 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.05 -48.58 73.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.679 -0.638 . . . . 0.33 109.49 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 57' ' ' ILE . 28.4 mt -70.05 -30.42 67.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.27 -0.894 . . . . 1.27 109.592 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.64 -10.11 59.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.151 -0.968 . . . . 0.48 108.843 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.01 66.89 1.04 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 1.15 109.096 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.85 150.19 96.68 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.233 -0.917 . . . . 1.62 109.091 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.489 1.223 0 C-N-CA 120.726 0.95 . . . . 3.05 112.137 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.446 -0.575 . . . . 22.77 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -70.03 142.0 52.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 20.19 109.254 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.46 15.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.111 -0.993 . . . . 18.43 109.708 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pp -113.52 133.07 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.459 -0.776 . . . . 17.72 109.183 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.51 1.09 40.72 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.359 -0.838 . . . . 17.24 109.97 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' VAL . 25.3 m -110.01 131.71 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.356 -0.84 . . . . 15.09 109.34 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.52 -47.91 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.251 -0.906 . . . . 15.83 108.732 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.125 -0.984 . . . . 14.06 109.455 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.5 -60.03 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.92 . . . . 12.57 109.121 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -122.72 122.51 38.92 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.716 -0.846 . . . . 12.83 108.716 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.83 -50.02 68.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.984 -1.072 . . . . 11.05 109.831 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 15.2 t70 -172.56 177.56 2.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 10.08 109.144 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 55.8 mp0 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.07 -1.019 . . . . 9.12 108.631 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.76 159.51 26.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.398 -0.813 . . . . 5.44 108.836 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.03 160.02 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.313 -0.867 . . . . 5.04 109.719 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -84.66 179.35 7.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 3.45 108.915 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.95 26.54 5.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.431 -0.793 . . . . 2.03 109.948 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -110.91 -39.16 4.9 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.349 -0.844 . . . . 2.24 110.47 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -61.24 -39.4 90.16 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.102 -0.999 . . . . 0.8 110.663 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.99 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 1.09 109.838 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.2 93.37 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.049 -1.032 . . . . 0.27 109.559 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.75 -40.0 90.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 1.27 109.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.18 94.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.004 . . . . 0.23 109.392 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . 48.9 mtmt -69.33 -39.92 77.89 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.126 -0.984 . . . . 1.23 108.907 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.03 -49.97 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.182 -0.948 . . . . 0.34 108.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.58 -40.09 95.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.507 -0.746 . . . . 0.78 109.434 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.06 49.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 0.2 109.994 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . 36.7 t-20 -59.95 -46.68 88.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.155 -0.966 . . . . 0.22 110.329 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -69.62 -26.24 64.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 3.73 109.483 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.06 -40.22 88.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.15 -0.969 . . . . 1.39 109.221 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.34 -30.36 70.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.269 -0.894 . . . . 0.43 108.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.82 -37.66 79.81 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.351 -0.611 . . . . 1.14 109.351 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -59.93 -41.09 91.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.097 -1.002 . . . . 1.78 109.272 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.82 -13.13 58.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.347 -0.846 . . . . 1.25 109.621 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.09 70.41 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.011 -1.236 . . . . 0.36 110.011 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' TYR . 1.9 t -59.96 162.59 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.961 -1.317 . . . . 0.71 108.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.9 p -62.97 161.21 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.162 -0.961 . . . . 1.56 109.822 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 55.9 t0 -67.63 -15.24 63.55 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.411 -0.806 . . . . 2.35 109.777 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.02 -49.74 76.48 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.147 -0.971 . . . . 1.51 109.952 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 97.8 m-85 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.993 -1.067 . . . . 0.94 110.457 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.04 -44.84 96.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 2.14 108.939 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.41 0.624 . . . . 1.16 109.398 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.93 -40.02 87.5 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.271 -0.893 . . . . 0.63 109.285 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.66 -40.1 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.028 -1.045 . . . . 0.38 109.21 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -57.93 -33.27 68.63 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.46 109.071 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -97.46 49.14 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.343 -0.848 . . . . 1.22 109.208 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.99 118.09 11.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.285 -0.884 . . . . 1.49 109.636 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -69.94 -40.0 75.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.351 -0.843 . . . . 2.97 110.154 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -139.56 151.66 46.24 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.149 -0.969 . . . . 1.59 110.024 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 50' ' ' VAL . 8.7 t -60.05 -48.89 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.468 -0.77 . . . . 0.47 109.938 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -59.99 -31.78 70.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.784 -0.821 . . . . 2.64 108.784 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.5 -24.52 72.42 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.477 -1.449 . . . . 0.41 109.477 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.63 -50.98 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -1.187 . . . . 0.22 110.049 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.76 -40.05 69.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.133 -0.98 . . . . 1.73 110.76 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.84 78.75 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.102 -0.998 . . . . 0.3 110.415 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.1 -41.07 91.1 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.304 -0.873 . . . . 0.46 109.778 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.34 -36.54 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 107.544 -1.28 . . . . 0.23 107.544 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -59.96 -40.24 88.39 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.9 -0.72 . . . . 1.17 109.227 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.65 -39.86 76.83 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.246 -1.02 . . . . 1.04 108.246 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.13 -40.14 82.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.799 -0.761 . . . . 0.33 109.23 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.99 -30.05 67.28 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 1.27 109.336 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.95 66.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.219 -0.926 . . . . 0.48 109.207 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.31 88.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 1.15 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.64 149.73 95.39 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.62 108.612 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 CA-C-O 118.042 -0.899 . . . . 3.05 111.864 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.358 -0.608 . . . . 22.77 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -66.88 141.61 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.319 -0.863 . . . . 20.19 109.475 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.04 71.43 1.3 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.1 -1.0 . . . . 18.43 109.376 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -97.58 -1.2 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.4 -0.813 . . . . 17.72 109.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 7' ' ' LEU . 54.9 p90 -67.05 -9.96 44.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.965 -1.085 . . . . 17.24 109.676 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' A' ' 8' ' ' ASN . 28.9 m -50.25 -9.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 15.09 109.821 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' PHE . 90.1 mt -73.0 12.44 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.07 -1.019 . . . . 15.83 109.474 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 6' ' ' VAL . 97.6 m-20 -59.98 139.99 57.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.177 -0.952 . . . . 14.06 108.816 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.73 105.65 17.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.23 -0.919 . . . . 12.57 109.712 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -61.46 -39.89 92.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 12.83 108.873 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -78.26 -171.63 2.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.467 -0.771 . . . . 11.05 109.342 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -120.49 74.31 1.05 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.633 -0.667 . . . . 10.08 109.318 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -90.9 71.05 6.51 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.217 -0.927 . . . . 9.12 109.398 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.85 111.21 19.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.06 -1.025 . . . . 5.44 109.785 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 16' ' ' ASP . 10.0 p -60.71 -40.57 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.5 -0.75 . . . . 5.04 109.807 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 15' ' ' VAL . 33.7 p-10 -99.83 135.2 41.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.219 -0.926 . . . . 3.45 109.327 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' ASN . . . -171.88 -14.18 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 2.03 109.378 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' ALA . 14.1 t-20 -60.02 -44.83 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.258 -0.901 . . . . 2.24 109.519 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.6 t -61.61 -46.93 87.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.8 109.42 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 ' NZ ' ' A' ' 24' ' ' LYS . 58.9 tp -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.09 109.603 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.2 96.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.231 -0.918 . . . . 0.27 110.347 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.97 -40.77 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 1.27 109.73 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.47 95.93 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.102 -0.998 . . . . 0.23 108.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' NZ ' HD11 ' A' ' 20' ' ' LEU . 58.9 mttp -68.96 -40.06 79.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.417 -0.802 . . . . 1.23 109.125 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.09 -48.74 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.382 -0.824 . . . . 0.34 109.151 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.71 -40.02 93.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.338 -0.851 . . . . 0.78 109.174 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.06 -37.32 81.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.2 109.015 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.452 -0.78 . . . . 0.22 109.041 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -63.55 -35.18 79.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.471 -0.768 . . . . 3.73 109.94 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.08 -39.5 86.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.212 -0.93 . . . . 1.39 110.055 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 13.6 mt -59.96 -45.28 93.18 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.33 -0.989 . . . . 0.43 108.33 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.5 -39.96 89.62 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.298 0.57 . . . . 1.14 109.751 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -60.03 -39.89 87.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.289 -0.882 . . . . 1.78 110.616 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -101.73 -2.99 28.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.172 -0.955 . . . . 1.25 109.823 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 65.2 37.3 93.88 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 120.218 -0.991 . . . . 0.36 111.146 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -69.23 162.8 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.767 -1.431 . . . . 0.71 108.866 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -50.0 139.94 13.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 1.56 109.484 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.44 -14.48 62.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 2.35 109.787 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.95 -45.82 91.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 1.51 110.224 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -53.88 -19.95 5.22 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.919 . . . . 0.94 111.25 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -67.99 -40.18 83.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.431 -1.418 . . . . 2.14 108.985 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.44 -39.97 95.91 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.646 -0.872 . . . . 1.16 108.646 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -62.89 -39.98 96.15 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.298 -0.876 . . . . 0.63 108.732 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mm -63.67 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.116 -0.99 . . . . 0.38 108.956 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -52.6 -30.54 31.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.302 -0.874 . . . . 1.46 110.407 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 28.5 p30 -107.84 31.87 5.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.319 -0.863 . . . . 1.22 110.016 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.27 138.63 56.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 1.49 109.563 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -65.67 -40.04 91.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.433 -0.792 . . . . 2.97 110.649 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 52' ' ' GLY . 1.1 t -156.3 170.07 23.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.87 -1.144 . . . . 1.59 110.114 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' GLU . 33.6 m -64.6 -38.63 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.47 110.423 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' VAL . 98.9 mt-10 -59.96 -40.09 87.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.085 -1.009 . . . . 2.64 109.269 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' H ' HG23 ' A' ' 49' ' ' THR . . . -69.85 -28.63 71.71 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.759 -0.937 . . . . 0.41 110.759 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.94 -49.74 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.341 . . . . 0.22 110.2 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -70.05 -39.91 75.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.872 -1.143 . . . . 1.73 109.983 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.1 72.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.419 -0.801 . . . . 0.3 110.963 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.94 -45.82 91.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.017 -1.052 . . . . 0.46 108.462 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.23 -38.71 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.596 -0.89 . . . . 0.23 108.596 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.1 -40.24 88.94 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.266 -0.974 . . . . 1.17 109.424 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.48 -40.07 73.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.969 -1.082 . . . . 1.04 109.03 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.11 -46.91 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.458 -0.776 . . . . 0.33 110.31 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.98 -35.47 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.991 -1.068 . . . . 1.27 109.304 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.36 82.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.48 110.306 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 64' ' ' LEU . . . -64.52 -38.82 92.35 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.982 -1.074 . . . . 1.15 108.561 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -134.44 79.17 55.19 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.762 -0.586 . . . . 1.62 109.504 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 C--N 1.314 -1.238 0 C-N-CA 120.985 1.123 . . . . 3.05 111.889 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.113 -0.699 . . . . 22.77 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.73 120.0 37.32 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.397 -0.814 . . . . 20.19 109.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.69 148.59 26.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.348 -0.845 . . . . 18.43 109.544 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.59 -40.51 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.324 -0.86 . . . . 17.72 109.21 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.71 110.55 3.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 17.24 109.225 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.3 t -138.73 127.68 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.8 . . . . 15.09 109.548 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -70.38 132.79 46.16 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.294 -1.002 . . . . 15.83 108.294 179.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -59.92 139.7 57.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 14.06 108.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.67 159.34 27.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.09 -1.006 . . . . 12.57 109.647 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -76.65 -17.62 59.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.896 . . . . 12.83 108.94 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -72.0 -39.99 68.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 11.05 110.348 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -110.08 121.92 46.38 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.305 -0.872 . . . . 10.08 110.802 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -168.54 162.36 12.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 9.12 109.307 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.78 54.28 2.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.161 -0.962 . . . . 5.44 109.434 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 15' ' ' VAL . 7.6 p -81.73 -8.49 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.35 -0.844 . . . . 5.04 109.574 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -48.06 113.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 3.45 109.364 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.05 16.78 21.64 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.702 . . . . 2.03 109.995 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -97.4 -41.66 8.12 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.005 -1.059 . . . . 2.24 109.579 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.2 m -78.0 -53.43 7.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.319 -0.863 . . . . 0.8 109.862 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.99 -48.98 79.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.37 -0.831 . . . . 1.09 109.671 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -61.6 -50.01 74.33 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.231 -0.918 . . . . 0.27 110.445 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -47.37 86.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.767 -1.208 . . . . 1.27 109.563 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.31 86.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.994 -1.066 . . . . 0.23 108.424 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.98 -40.0 75.62 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.44 -0.787 . . . . 1.23 110.171 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.1 t -66.57 -48.84 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.947 -1.095 . . . . 0.34 109.557 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.19 -40.26 90.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.094 -1.004 . . . . 0.78 109.669 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.71 72.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.074 -1.016 . . . . 0.2 109.711 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.02 -40.4 89.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.365 -0.834 . . . . 0.22 110.253 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' A' ' 29' ' ' ARG . 52.0 mtt-85 -69.73 -32.08 70.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.894 . . . . 3.73 109.867 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.97 -39.96 87.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.172 -0.955 . . . . 1.39 109.656 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.24 -39.99 93.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.139 -0.976 . . . . 0.43 108.802 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.98 -40.04 87.76 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.447 -0.575 . . . . 1.14 109.447 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.11 -49.88 75.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 1.78 109.16 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.96 -34.9 74.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.366 -0.834 . . . . 1.25 109.904 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.96 30.88 10.49 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 109.592 -1.403 . . . . 0.36 109.592 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 37' ' ' SER . 1.8 t -68.93 177.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.307 -1.113 . . . . 0.71 108.699 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.48 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -60.07 139.99 57.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.926 -1.109 . . . . 1.56 109.823 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.7 t0 -64.92 -20.14 66.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.511 -0.743 . . . . 2.35 109.712 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.53 -39.95 85.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.993 -1.067 . . . . 1.51 110.135 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -59.97 -36.83 77.98 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.123 -0.986 . . . . 0.94 111.134 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.537 -1.352 . . . . 2.14 108.321 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.67 -40.02 90.57 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.21 -1.033 . . . . 1.16 108.21 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 58.9 tp -61.92 -40.01 94.02 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.647 -0.872 . . . . 0.63 108.647 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD13 HD23 ' A' ' 56' ' ' LEU . 7.6 mm -62.17 -39.39 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.36 -0.837 . . . . 0.38 109.23 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.85 -40.03 87.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 1.46 110.15 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 51.4 p30 -101.15 25.19 8.44 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.227 -0.921 . . . . 1.22 110.076 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.94 138.03 25.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 1.49 108.766 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.07 -40.33 89.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.389 -0.82 . . . . 2.97 110.455 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.7 169.39 23.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 1.59 109.483 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.26 -39.94 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.355 -0.841 . . . . 0.47 109.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.207 -1.034 . . . . 2.64 108.207 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.64 -32.7 78.99 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 109.134 -1.587 . . . . 0.41 109.134 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.33 -49.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.03 -1.276 . . . . 0.22 109.328 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.86 -39.98 91.23 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.1 -1.0 . . . . 1.73 109.694 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.68 -37.23 79.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.192 -0.942 . . . . 0.3 109.073 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 44' ' ' ILE . 40.0 tp -60.02 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.569 -0.707 . . . . 0.46 109.212 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD11 HD11 ' A' ' 44' ' ' ILE . 39.5 mm -66.78 -40.02 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.406 -0.809 . . . . 0.23 108.995 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.94 -40.01 87.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 1.17 109.369 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.11 -39.99 75.16 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.3 mt -68.08 -49.97 62.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.464 -0.773 . . . . 0.33 109.472 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 61' ' ' LEU . 63.3 mt -64.08 -39.89 95.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 1.27 109.224 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.91 2.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.48 109.996 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.1 -59.88 2.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.97 -1.081 . . . . 1.15 108.886 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -72.69 155.68 90.67 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 108.649 -0.871 . . . . 1.62 108.649 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.754 0.969 . . . . 3.05 111.954 179.801 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.364 -0.606 . . . . 22.77 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -80.19 133.31 36.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 20.19 109.191 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 4' ' ' ILE . . . -164.78 -6.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.251 -0.906 . . . . 18.43 109.417 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' PHE . 33.8 pt -93.07 157.96 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.16 -0.962 . . . . 17.72 109.523 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' A' ' 6' ' ' VAL . 29.6 t80 -60.0 -119.8 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 17.24 109.2 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 5' ' ' PHE . 1.1 m -152.05 112.21 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.663 -1.273 . . . . 15.09 109.293 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 8' ' ' ASN . 2.8 pp -169.37 -44.26 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.119 -0.988 . . . . 15.83 110.207 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' N ' HD12 ' A' ' 7' ' ' LEU . 77.6 m-20 -67.12 -39.86 86.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.906 -1.121 . . . . 14.06 109.373 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 99.27 8.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.533 -0.73 . . . . 12.57 109.999 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -70.28 -30.04 66.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 12.83 109.64 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 41.5 p-80 -93.47 113.23 25.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.208 -0.932 . . . . 11.05 110.261 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -113.1 10.79 18.75 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.593 -0.692 . . . . 10.08 109.36 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.95 140.21 57.82 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.259 -0.9 . . . . 9.12 110.082 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.4 -11.57 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.836 . . . . 5.44 109.178 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.17 -39.91 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.546 -0.721 . . . . 5.04 109.266 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -138.25 156.03 48.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -0.821 . . . . 3.45 109.441 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.45 -35.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.507 -0.745 . . . . 2.03 109.074 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.04 -39.88 87.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.339 -0.851 . . . . 2.24 109.342 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -59.98 -40.2 88.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.404 -0.81 . . . . 0.8 109.599 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.0 -47.1 87.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.127 -0.983 . . . . 1.09 109.04 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.13 72.66 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.396 -0.815 . . . . 0.27 109.651 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.1 -40.02 92.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.255 -0.903 . . . . 1.27 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.05 86.73 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.2 -0.938 . . . . 0.23 108.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.97 95.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.23 108.841 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.48 -49.69 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.218 -0.926 . . . . 0.34 108.58 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.95 -40.27 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.08 -1.012 . . . . 0.78 108.489 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -73.72 -52.58 12.77 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.608 -0.683 . . . . 0.2 109.753 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.86 -46.22 89.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.911 . . . . 0.22 110.128 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.07 -31.43 72.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 3.73 109.142 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.189 -0.944 . . . . 1.39 109.702 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.23 -36.17 82.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.981 . . . . 0.43 108.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -59.98 -45.21 93.44 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.769 -0.582 . . . . 1.14 111.741 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.36 89.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.361 -1.462 . . . . 1.78 109.936 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -69.98 -30.8 68.22 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.921 -1.112 . . . . 1.25 109.7 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.16 11.18 55.07 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.186 -1.166 . . . . 0.36 110.186 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 36' ' ' VAL . 1.9 t -50.87 169.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.096 -1.238 . . . . 0.71 108.972 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -62.18 159.72 14.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.067 -1.021 . . . . 1.56 109.451 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -89.98 11.4 20.64 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.299 -0.876 . . . . 2.35 109.572 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -85.14 -42.69 14.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.119 -0.988 . . . . 1.51 109.783 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -63.26 -31.91 73.18 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.365 -0.835 . . . . 0.94 111.094 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 18.5 ptmt -60.04 -40.16 88.43 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.704 -1.247 . . . . 2.14 108.627 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 39.9 t30 -62.76 -40.13 96.31 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.699 -0.8 . . . . 1.16 109.02 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.495 -0.753 . . . . 0.63 109.574 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -60.04 -40.21 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.213 -0.929 . . . . 0.38 108.534 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -50.1 -35.22 24.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.441 -0.787 . . . . 1.46 109.023 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LYS . 51.1 t30 -69.98 -28.29 65.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 1.22 109.481 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.93 92.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 1.49 110.022 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ASN . 18.2 ttpp -66.46 -39.92 89.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -0.856 . . . . 2.97 110.212 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -101.11 145.09 29.22 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.282 -0.886 . . . . 1.59 109.89 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.81 -40.01 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.494 -0.754 . . . . 0.47 111.11 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -57.86 -27.86 63.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.572 -1.33 . . . . 2.64 108.977 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.493 ' H ' HG23 ' A' ' 49' ' ' THR . . . -76.6 -21.85 73.91 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.354 -1.498 . . . . 0.41 109.354 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.75 -56.24 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.274 . . . . 0.22 110.122 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -70.1 -39.96 75.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.93 . . . . 1.73 110.476 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.95 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.247 -0.908 . . . . 0.3 110.618 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -68.15 -40.0 82.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.046 -1.034 . . . . 0.46 108.919 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 HD11 ' HB1' ' A' ' 27' ' ' ALA . 96.5 mt -73.5 -28.29 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.355 -0.841 . . . . 0.23 109.257 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.89 -39.64 86.02 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.952 -1.129 . . . . 1.17 107.952 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.94 -39.72 75.9 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.455 -0.943 . . . . 1.04 108.455 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.9 mt -69.44 -40.83 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.537 -0.727 . . . . 0.33 109.832 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.0 -29.86 67.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.102 -0.999 . . . . 1.27 109.304 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.86 87.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.48 109.334 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.64 -4.07 10.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 1.15 109.523 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.3 mt -129.99 77.54 76.43 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.457 -0.777 . . . . 1.62 109.443 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo . . . . . 0 N--CA 1.491 1.374 0 C-N-CA 120.963 1.109 . . . . 3.05 112.174 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.791 -0.818 . . . . 22.77 108.791 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.98 -39.94 91.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.508 -0.745 . . . . 20.19 109.414 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.94 154.02 23.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.544 -0.723 . . . . 18.43 109.411 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.8 mp -102.31 142.48 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.314 -0.866 . . . . 17.72 109.151 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.91 127.14 15.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.369 -0.832 . . . . 17.24 109.268 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.8 p -166.48 36.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 108.144 -1.058 . . . . 15.09 108.144 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' ALA . 91.9 mt -65.83 157.96 29.08 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 15.83 109.336 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -69.65 64.5 0.19 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.36 -0.838 . . . . 14.06 109.606 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -158.81 160.0 35.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 12.57 109.28 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -100.19 136.8 39.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.254 -0.904 . . . . 12.83 109.641 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' CD2' ' OD1' ' A' ' 12' ' ' ASP . 41.4 p-80 -61.99 -39.64 92.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.131 -0.981 . . . . 11.05 109.224 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -76.21 140.79 41.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.341 -0.85 . . . . 10.08 109.448 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -63.82 -40.06 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 9.12 109.744 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.25 138.02 53.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 5.44 109.569 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 16' ' ' ASP . 8.0 p -61.16 -39.93 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.232 -0.918 . . . . 5.04 109.59 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 15' ' ' VAL . 94.3 m-20 -129.36 140.38 51.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.473 -0.767 . . . . 3.45 109.598 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.96 -80.88 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.21 -0.931 . . . . 2.03 109.505 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 2.24 109.498 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -56.43 -30.78 63.24 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.363 -0.835 . . . . 0.8 110.203 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.96 -49.28 78.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.999 -1.063 . . . . 1.09 109.542 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.97 78.08 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.237 -0.914 . . . . 0.27 109.537 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 1.27 109.757 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.99 77.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.109 -0.995 . . . . 0.23 109.095 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.99 -40.01 83.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.228 -0.92 . . . . 1.23 108.682 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.05 -49.92 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.406 -0.809 . . . . 0.34 109.401 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.16 -40.03 96.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.78 109.645 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.2 109.4 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.87 . . . . 0.22 109.946 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.03 -39.79 87.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 3.73 110.345 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.07 -1.019 . . . . 1.39 109.81 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.0 -50.27 74.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.765 -1.21 . . . . 0.43 108.533 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.06 -39.93 87.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.466 -0.939 . . . . 1.14 108.466 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.02 -50.48 73.55 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.95 -0.759 . . . . 1.78 108.95 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.46 -40.02 73.95 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 1.25 109.746 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.27 27.48 15.55 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.213 -1.555 . . . . 0.36 109.213 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.43 -177.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -1.126 . . . . 0.71 109.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -59.95 139.96 57.04 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.338 -0.851 . . . . 1.56 109.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.02 -18.84 63.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 2.35 110.043 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 1.51 110.719 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -55.5 -20.71 13.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.041 -1.037 . . . . 0.94 111.438 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -69.93 -40.03 75.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.455 -1.403 . . . . 2.14 109.306 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 29.2 p30 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.336 -0.852 . . . . 1.16 109.663 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.538 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 58.5 tp -65.47 -40.12 92.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.63 109.644 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.1 -39.93 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.38 109.088 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.13 -37.43 80.02 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.394 -0.965 . . . . 1.46 108.394 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.0 -20.74 63.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -0.832 . . . . 1.22 109.593 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.87 133.01 50.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.931 . . . . 1.49 109.392 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -109.41 12.38 24.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.479 -0.763 . . . . 2.97 109.751 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -145.84 143.72 29.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.11 -0.994 . . . . 1.59 109.723 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.58 -34.8 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.47 110.937 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.47 -38.44 71.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.782 -1.199 . . . . 2.64 107.835 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.07 -35.71 64.4 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 109.416 -1.474 . . . . 0.41 109.416 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.09 -48.23 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.981 -1.305 . . . . 0.22 109.581 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.15 -40.04 93.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 1.73 109.804 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -16.35 63.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.378 -0.826 . . . . 0.3 109.645 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLU . 13.8 tp -80.08 -69.93 0.55 Allowed 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 118.639 -1.224 . . . . 0.46 108.403 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' LEU . 12.0 mm -45.1 -41.54 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.785 -1.197 . . . . 0.23 109.744 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.94 -40.06 87.65 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.504 -0.878 . . . . 1.17 108.683 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' LEU . 4.2 pt-20 -81.86 -30.03 32.24 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.134 -0.979 . . . . 1.04 110.11 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.5 mm -66.95 -50.01 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.474 -1.391 . . . . 0.33 107.907 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 -40.02 96.48 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.014 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.22 67.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.48 109.404 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.4 82.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.345 -0.847 . . . . 1.15 110.083 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 mt -60.29 148.03 80.29 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.171 -0.955 . . . . 1.62 109.281 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.492 1.433 0 CA-C-O 118.014 -0.911 . . . . 3.05 111.94 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.447 -0.575 . . . . 22.77 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -99.74 120.33 39.55 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.166 -0.959 . . . . 20.19 109.136 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 -35.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.238 -0.914 . . . . 18.43 109.465 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.3 pp -133.14 159.05 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.428 -0.795 . . . . 17.72 109.763 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -108.28 -29.64 8.77 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.323 -0.861 . . . . 17.24 109.442 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t -114.95 121.65 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.622 -0.673 . . . . 15.09 110.437 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 8' ' ' ASN . 2.3 tt -147.7 119.66 8.19 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.684 -0.858 . . . . 15.83 108.684 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' N ' HD23 ' A' ' 7' ' ' LEU . 82.8 m-20 -86.84 137.53 32.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.882 -1.136 . . . . 14.06 109.146 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.18 93.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 12.57 110.204 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.647 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -68.06 -19.6 64.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.168 -0.957 . . . . 12.83 109.877 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -0.06 56.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 11.05 109.575 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 9.9 t70 -153.39 -121.22 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.029 -1.045 . . . . 10.08 109.796 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 52.6 tp10 -60.56 139.9 57.59 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.132 -0.98 . . . . 9.12 109.938 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.09 151.11 27.63 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.807 -0.812 . . . . 5.44 108.807 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 54.5 t -60.04 -49.95 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.16 -0.962 . . . . 5.04 109.474 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 69.7 m-20 -154.35 84.54 1.12 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.254 -0.904 . . . . 3.45 109.587 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.91 -18.05 28.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.219 -0.925 . . . . 2.03 109.437 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -70.5 -19.35 62.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 2.24 109.956 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.4 m -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.113 -0.992 . . . . 0.8 109.936 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.6 tt -60.92 -48.6 81.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.13 -0.981 . . . . 1.09 108.861 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.16 84.72 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.336 -0.852 . . . . 0.27 110.416 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.04 -40.54 89.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.003 -1.06 . . . . 1.27 110.031 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.54 92.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.917 -1.114 . . . . 0.23 108.513 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 30.2 mttp -69.68 -40.05 76.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.381 -0.824 . . . . 1.23 109.358 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.52 -44.38 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.34 109.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.59 -41.26 94.33 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.78 109.429 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.173 -0.955 . . . . 0.2 109.355 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.1 -47.95 83.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.468 -0.77 . . . . 0.22 110.254 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.98 -28.42 65.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.905 -1.122 . . . . 3.73 110.821 -179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.01 -45.4 92.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.412 -1.43 . . . . 1.39 110.066 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.98 -31.86 69.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.74 -1.225 . . . . 0.43 108.34 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.04 -42.59 94.76 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.844 -0.535 . . . . 1.14 110.373 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 15.4 ptmt -69.94 -38.76 76.27 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.756 -1.215 . . . . 1.78 109.909 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.0 -30.05 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 1.25 109.52 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.87 34.72 29.97 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.836 -1.173 . . . . 0.36 110.665 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 36' ' ' VAL . 6.8 m -82.81 -176.7 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.989 -1.301 . . . . 0.71 108.668 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.1 m -59.14 139.99 56.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 1.56 109.905 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.92 -15.58 63.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.447 -0.783 . . . . 2.35 109.494 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -59.05 -40.01 83.78 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.373 -0.83 . . . . 1.51 109.162 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -58.14 -40.1 80.46 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.367 -0.833 . . . . 0.94 110.018 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -59.97 -45.52 92.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.835 -1.166 . . . . 2.14 108.101 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.36 -40.63 91.42 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 120.047 -0.661 . . . . 1.16 109.612 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.65 -40.27 91.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.187 -0.946 . . . . 0.63 109.289 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.15 -39.92 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.38 108.934 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -57.53 -38.06 74.09 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.441 -0.787 . . . . 1.46 109.098 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -69.95 -19.84 63.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 1.22 109.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . -56.93 128.6 37.67 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.049 -1.032 . . . . 1.49 109.831 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -101.72 0.66 36.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.268 -0.895 . . . . 2.97 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.0 p -130.03 141.25 50.75 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.364 -0.835 . . . . 1.59 109.461 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -70.0 -36.92 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.197 -0.939 . . . . 0.47 109.564 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.95 -40.32 88.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 2.64 109.662 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.35 -31.11 79.38 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.258 -1.137 . . . . 0.41 110.258 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -49.69 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.267 . . . . 0.22 110.32 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.52 -40.03 77.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.801 -1.187 . . . . 1.73 110.299 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.24 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.3 110.43 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.22 -44.27 72.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.021 -1.05 . . . . 0.46 108.853 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 mp -60.25 -39.22 80.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 107.728 -1.212 . . . . 0.23 107.728 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -40.36 88.96 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.452 -0.899 . . . . 1.17 108.891 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.76 -40.05 69.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.196 -0.94 . . . . 1.04 109.066 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.69 -48.89 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.435 -0.791 . . . . 0.33 110.153 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 57' ' ' ILE . 46.8 mt -69.54 -39.98 77.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.089 -1.007 . . . . 1.27 109.538 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.25 84.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.045 -1.035 . . . . 0.48 109.053 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.99 87.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.8 . . . . 1.15 109.902 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.5 mt -70.04 148.21 96.02 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 1.62 108.712 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 117.993 -0.919 . . . . 3.05 111.903 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 22.77 108.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -87.08 123.04 31.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 20.19 108.718 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.94 -173.01 1.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.105 -0.997 . . . . 18.43 109.92 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' VAL . 97.3 mt -64.67 -20.48 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.791 . . . . 17.72 109.698 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -64.51 72.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 17.24 109.578 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 7' ' ' LEU . 89.0 t -105.29 169.57 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.522 -0.918 . . . . 15.09 108.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.584 ' N ' HG12 ' A' ' 6' ' ' VAL . 95.6 mt -60.06 -40.35 89.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.049 -1.032 . . . . 15.83 109.247 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 33.8 m120 -159.31 113.72 2.38 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.893 -0.78 . . . . 14.06 108.893 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 42.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.122 -0.986 . . . . 12.57 110.129 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 1.3 pm0 -101.25 109.44 21.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.19 -0.944 . . . . 12.83 109.358 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.09 -41.3 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.863 -1.148 . . . . 11.05 110.151 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -173.58 19.15 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.197 -0.939 . . . . 10.08 109.515 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.89 -40.06 87.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.239 -0.913 . . . . 9.12 109.848 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.38 -142.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.049 -1.032 . . . . 5.44 110.073 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.93 150.56 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.536 -0.727 . . . . 5.04 109.584 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' OD1' ' OG ' ' A' ' 19' ' ' SER . 12.1 p-10 -138.77 159.71 41.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.393 -0.817 . . . . 3.45 109.462 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 19' ' ' SER . . . -67.04 -38.4 85.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.186 -0.946 . . . . 2.03 109.536 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.93 -0.28 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.333 -0.854 . . . . 2.24 109.523 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' OD1' ' A' ' 16' ' ' ASP . 58.6 m -60.02 -40.22 88.53 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.239 -0.913 . . . . 0.8 109.549 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.43 -50.02 75.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.104 -0.998 . . . . 1.09 109.779 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.71 62.44 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.034 -1.041 . . . . 0.27 109.465 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.509 -0.744 . . . . 1.27 109.336 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.72 85.3 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.472 -0.891 . . . . 0.23 109.023 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.77 -39.98 76.33 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.876 -1.14 . . . . 1.23 109.027 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.09 -50.05 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.2 -0.938 . . . . 0.34 109.691 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.06 -40.05 90.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.015 -1.053 . . . . 0.78 109.376 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -59.89 -48.16 82.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.222 -0.924 . . . . 0.2 110.104 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -59.98 -40.57 89.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.22 109.952 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.7 mtt-85 -69.21 -34.59 75.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.08 -1.012 . . . . 3.73 109.157 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.93 -39.09 84.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.516 -0.74 . . . . 1.39 110.395 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.9 -39.97 87.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.795 -1.191 . . . . 0.43 108.604 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -51.63 -30.84 22.9 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.42 -0.585 . . . . 1.14 109.42 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -62.79 -40.03 96.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.78 109.033 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.498 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 26.4 m-85 -98.17 -25.47 14.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.403 -0.811 . . . . 1.25 109.799 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' VAL . . . 69.93 35.32 72.11 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.849 -1.167 . . . . 0.36 110.23 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.6 m -57.07 -167.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 120.999 -1.295 . . . . 0.71 109.613 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 149.72 47.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.56 109.677 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.45 -10.55 59.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.364 -0.835 . . . . 2.35 109.236 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -68.29 -40.08 81.89 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.855 -1.153 . . . . 1.51 110.332 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -69.91 -35.25 74.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.94 112.463 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 42' ' ' ASN . 8.1 ptmm? -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.325 -1.485 . . . . 2.14 108.377 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' A' ' 46' ' ' ASN . 40.1 t30 -61.56 -39.91 92.83 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.906 -0.775 . . . . 1.16 108.906 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 HD21 ' A' ' 56' ' ' LEU . 53.8 tp -60.02 -38.26 82.15 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.058 -0.719 . . . . 0.63 109.058 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.89 -44.56 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.165 -0.96 . . . . 0.38 108.446 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.9 -19.98 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 1.46 109.87 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' A' ' 42' ' ' ASN . 80.7 m-20 -98.71 5.3 47.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.104 -0.998 . . . . 1.22 110.211 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.23 129.56 42.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.921 -1.112 . . . . 1.49 109.697 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.37 -0.29 38.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.322 -0.861 . . . . 2.97 109.757 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.3 p -129.97 141.98 50.69 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.339 -0.851 . . . . 1.59 108.943 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.25 -50.88 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 0.47 109.781 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.321 -0.992 . . . . 2.64 108.321 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.47 -30.75 50.59 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.592 -1.403 . . . . 0.41 109.592 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.06 -50.08 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.819 -1.401 . . . . 0.22 109.47 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -80.1 -36.07 35.95 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.029 -1.044 . . . . 1.73 110.546 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -70.07 -17.65 63.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.019 . . . . 0.3 109.739 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD21 HD23 ' A' ' 43' ' ' LEU . 22.1 tp -81.8 -53.49 6.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.289 -0.882 . . . . 0.46 109.598 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.609 HD11 ' HB1' ' A' ' 27' ' ' ALA . 85.3 mt -69.99 -39.9 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.575 -0.703 . . . . 0.23 111.159 -178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 59' ' ' GLU . 36.3 p-10 -55.05 -34.57 63.67 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.798 -1.161 . . . . 1.17 108.428 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 64.6 mm-40 -70.1 -39.94 75.24 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.929 -1.138 . . . . 1.04 107.929 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.03 -40.32 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.661 -0.649 . . . . 0.33 109.609 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.96 -27.6 64.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 1.27 109.651 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.97 86.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -0.934 . . . . 0.48 109.16 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.9 -22.53 67.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 1.15 109.376 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.3 mt -129.96 77.72 76.16 Favored Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.486 -0.759 . . . . 1.62 109.405 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.491 1.362 0 C-N-CA 120.938 1.092 . . . . 3.05 112.187 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.353 -0.61 . . . . 22.77 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -69.98 149.58 47.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 20.19 109.149 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.66 49.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 18.43 109.25 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.908 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -130.21 157.31 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.498 -0.751 . . . . 17.72 109.851 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -151.87 -38.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 17.24 109.09 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.0 p -162.13 86.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 15.09 109.148 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' C ' HD23 ' A' ' 7' ' ' LEU . 5.0 tt -69.63 -59.24 3.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.032 -1.043 . . . . 15.83 109.213 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 12.8 m120 -160.8 -26.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.136 -0.977 . . . . 14.06 109.412 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 169.41 24.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 12.57 109.576 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.44 159.95 28.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.85 . . . . 12.83 109.329 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLU . 59.4 t-80 -63.56 157.76 22.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.87 . . . . 11.05 109.557 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.67 42.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.388 -0.82 . . . . 10.08 109.47 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' HIS . 86.0 tt0 -59.97 -40.04 87.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.127 -0.983 . . . . 9.12 108.977 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 158.39 13.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.384 -0.822 . . . . 5.44 109.313 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -114.29 148.51 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.563 -0.711 . . . . 5.04 109.662 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -75.05 159.06 32.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.314 -0.866 . . . . 3.45 110.06 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.19 -23.2 65.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.359 -0.838 . . . . 2.03 109.493 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -53.67 -30.41 43.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.24 109.285 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -51.87 -29.84 21.38 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.307 -0.87 . . . . 0.8 109.292 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.97 -49.5 77.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 1.09 109.215 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.65 83.58 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.27 109.696 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.97 -38.41 85.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.343 -0.848 . . . . 1.27 109.546 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.3 81.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.219 -0.925 . . . . 0.23 109.064 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -64.02 -40.01 95.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.171 -0.956 . . . . 1.23 109.25 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.96 -47.79 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.34 109.08 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 HD23 HH21 ' A' ' 29' ' ' ARG . 85.4 mt -65.93 -40.02 91.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.536 -0.727 . . . . 0.78 110.043 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.25 84.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.143 -0.973 . . . . 0.2 110.114 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -59.95 -41.02 90.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.235 -0.916 . . . . 0.22 110.176 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.528 HH21 HD23 ' A' ' 26' ' ' LEU . 68.1 mtm180 -70.07 -30.12 67.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.916 -1.115 . . . . 3.73 110.071 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.934 -1.104 . . . . 1.39 109.443 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.43 109.648 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.97 -40.81 90.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.509 -0.745 . . . . 1.14 109.595 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.81 -1.181 . . . . 1.78 108.545 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.0 -32.01 69.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.38 -0.825 . . . . 1.25 109.724 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 94.93 -6.7 69.74 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.313 -1.515 . . . . 0.36 109.313 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 p -74.29 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 0.71 109.079 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' GLY . 2.2 m -81.05 100.0 8.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.586 -0.696 . . . . 1.56 110.314 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 37' ' ' SER . 41.0 m-20 -167.78 -107.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.392 -1.336 . . . . 2.35 107.392 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.93 -41.02 90.89 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.532 -1.284 . . . . 1.51 107.532 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.584 ' CD2' HG22 ' A' ' 36' ' ' VAL . 89.6 m-85 -61.75 -35.04 76.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.875 -0.515 . . . . 0.94 110.565 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -40.03 96.39 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.867 -1.145 . . . . 2.14 108.464 -178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -67.68 -35.17 78.34 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.929 -0.767 . . . . 1.16 108.929 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.0 -40.09 88.0 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.293 -0.88 . . . . 0.63 108.702 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mm -59.93 -40.37 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.092 . . . . 0.38 108.439 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.99 -38.47 82.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 1.46 108.605 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -70.03 -19.76 63.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 1.22 109.737 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.31 134.22 56.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.061 -1.024 . . . . 1.49 110.053 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -121.49 9.36 10.26 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.634 -0.666 . . . . 2.97 109.638 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.51 117.27 12.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.327 -0.858 . . . . 1.59 109.251 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.6 p -59.99 -37.71 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.451 -0.781 . . . . 0.47 110.258 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 50' ' ' VAL . 75.2 mm-40 -59.99 -39.92 87.38 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.431 -1.322 . . . . 2.64 107.431 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.81 -29.89 62.47 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 109.859 -1.296 . . . . 0.41 109.859 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -49.95 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.731 -1.452 . . . . 0.22 110.101 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.83 -40.01 91.39 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.896 -1.128 . . . . 1.73 109.812 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -24.96 61.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.088 -1.007 . . . . 0.3 109.942 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.4 -40.12 77.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.199 -0.938 . . . . 0.46 109.415 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.92 -36.55 77.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.023 -1.103 . . . . 0.23 108.023 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.95 87.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 119.46 -0.896 . . . . 1.17 108.947 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.95 -40.03 75.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 1.04 108.79 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.16 -40.55 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 119.864 -0.734 . . . . 0.33 109.556 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 77.6 mt -69.01 -39.8 79.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.129 -0.982 . . . . 1.27 109.085 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.25 -19.24 65.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.263 -0.898 . . . . 0.48 109.258 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.0 87.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.15 109.562 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.46 149.67 96.87 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 1.62 108.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 120.729 0.953 . . . . 3.05 111.893 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.06 -0.719 . . . . 22.77 109.06 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -68.52 -38.7 81.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.917 -1.114 . . . . 20.19 109.542 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.21 -70.5 0.1 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.865 . . . . 18.43 110.165 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -120.05 126.26 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.372 -0.83 . . . . 17.72 109.538 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.65 -18.84 10.77 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.705 -0.85 . . . . 17.24 108.705 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.04 159.94 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.448 -0.782 . . . . 15.09 109.148 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.02 139.92 57.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 15.83 109.426 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -160.04 157.52 28.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 14.06 109.23 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.61 -130.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.133 -0.979 . . . . 12.57 109.699 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.07 160.02 25.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.354 -0.841 . . . . 12.83 109.605 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -61.73 -6.07 2.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 11.05 109.643 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.98 148.53 35.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.213 -0.929 . . . . 10.08 109.327 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.37 133.36 56.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.908 . . . . 9.12 109.398 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.53 -5.56 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.384 -0.822 . . . . 5.44 109.224 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 16' ' ' ASP . 13.1 p -63.51 -41.67 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 5.04 109.707 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 57.3 t0 -159.34 141.36 13.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 3.45 109.393 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -91.87 1.29 57.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 2.03 108.936 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -83.94 0.47 47.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.453 -0.779 . . . . 2.24 109.986 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 t -60.04 -44.86 94.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.94 -1.1 . . . . 0.8 109.141 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 20' ' ' LEU . 3.9 tt -60.25 -49.98 75.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.898 . . . . 1.09 108.731 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.06 92.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.27 109.771 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.93 -40.03 87.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 1.27 109.575 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.51 86.52 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.037 . . . . 0.23 108.415 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -62.61 -39.98 95.5 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.582 -0.896 . . . . 1.23 108.582 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' CG1' HH12 ' A' ' 29' ' ' ARG . 59.2 t -68.88 -48.28 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.503 -0.748 . . . . 0.34 109.4 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.99 -40.33 88.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.78 109.766 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.12 84.06 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.168 -0.958 . . . . 0.2 108.773 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 HD21 ' CE ' ' A' ' 41' ' ' LYS . 17.9 t-20 -61.72 -39.91 93.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.538 -0.727 . . . . 0.22 109.292 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.898 . . . . 3.73 109.679 179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.46 81.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.221 -0.924 . . . . 1.39 109.584 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 mt -65.56 -37.56 87.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.43 108.599 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.0 -38.94 84.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.191 -0.67 . . . . 1.14 109.191 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -60.01 -49.42 77.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.935 . . . . 1.78 109.079 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.02 -31.43 69.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 1.25 109.273 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 37' ' ' SER . . . 101.29 -9.36 57.61 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.74 -1.344 . . . . 0.36 109.74 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -77.56 17.03 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.133 -1.216 . . . . 0.71 109.358 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 28.1 t -80.34 109.97 15.33 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.465 -0.772 . . . . 1.56 109.991 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 37' ' ' SER . 45.4 m-20 -165.33 -100.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.556 -0.905 . . . . 2.35 108.556 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -42.95 95.23 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.947 -1.096 . . . . 1.51 108.467 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.98 -33.0 71.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.604 -0.685 . . . . 0.94 110.142 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' CE ' HD21 ' A' ' 28' ' ' ASN . 4.7 ptmt -66.93 -39.37 87.31 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.96 -1.088 . . . . 2.14 108.88 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -68.85 -39.99 79.61 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.398 -0.814 . . . . 1.16 109.505 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.84 -40.43 92.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.63 109.339 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.82 -41.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -57.39 -26.76 61.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.46 108.716 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -89.25 -1.58 58.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 1.22 110.19 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.49 135.58 57.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.898 -1.126 . . . . 1.49 109.19 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -97.95 -1.29 43.13 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.177 -0.952 . . . . 2.97 110.386 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -151.29 151.06 31.27 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.825 -1.172 . . . . 1.59 109.984 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.77 -39.97 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.418 -0.801 . . . . 0.47 109.756 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.63 -35.49 74.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.066 -1.021 . . . . 2.64 108.547 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.59 -31.54 70.8 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.957 -1.657 . . . . 0.41 108.957 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.19 -50.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.13 -1.217 . . . . 0.22 109.972 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.199 -0.938 . . . . 1.73 110.553 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.79 73.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.3 110.648 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.4 -44.29 95.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.998 -1.064 . . . . 0.46 108.625 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.03 -39.99 81.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.249 -1.019 . . . . 0.23 108.249 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.02 -40.17 88.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.757 . . . . 1.17 109.482 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.01 -39.82 75.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.201 -0.937 . . . . 1.04 108.626 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.39 -40.06 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.563 -0.71 . . . . 0.33 110.028 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.4 -39.78 77.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.145 -0.972 . . . . 1.27 109.914 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.65 65.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.48 110.347 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.52 64.11 1.56 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.352 -0.843 . . . . 1.15 109.477 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.02 137.33 87.24 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.231 -0.918 . . . . 1.62 108.556 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.491 1.336 0 CA-C-N 119.727 0.938 . . . . 3.05 112.114 179.753 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.32 -0.622 . . . . 22.77 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' ALA . 33.6 mtmm -59.97 -37.14 78.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.234 -0.916 . . . . 20.19 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' LYS . . . -39.89 159.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.601 -0.687 . . . . 18.43 110.545 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.3 mt -82.7 142.16 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.497 -0.752 . . . . 17.72 110.111 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -59.97 142.69 53.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 17.24 109.097 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' N ' ' A' ' 7' ' ' LEU . 2.4 p -67.17 -147.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 15.09 109.578 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.733 ' N ' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -59.63 135.92 57.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.81 -1.181 . . . . 15.83 108.87 -179.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.562 ' H ' HD13 ' A' ' 7' ' ' LEU . 11.4 m120 -128.05 155.31 44.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.396 -0.815 . . . . 14.06 109.646 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.88 14.01 9.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.31 -0.869 . . . . 12.57 109.339 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -59.93 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.208 -0.932 . . . . 12.83 109.579 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 85.5 t60 -49.46 -67.29 0.28 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.207 -0.933 . . . . 11.05 109.936 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 64.6 m-20 -159.8 174.74 14.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.194 -0.941 . . . . 10.08 109.829 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -83.57 27.94 0.59 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.827 . . . . 9.12 108.933 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.1 -16.63 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.42 -0.8 . . . . 5.44 109.859 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.08 106.57 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.197 -0.939 . . . . 5.04 109.214 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -83.86 -24.65 30.79 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.352 -0.843 . . . . 3.45 109.898 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -44.9 94.02 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.16 -0.963 . . . . 2.03 109.845 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.04 -41.92 93.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 2.24 109.652 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.8 p -67.39 -41.18 85.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.31 -0.869 . . . . 0.8 110.087 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.54 -47.87 84.25 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.011 -1.055 . . . . 1.09 109.259 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.56 77.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.184 -0.948 . . . . 0.27 110.261 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -62.55 -41.12 98.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.994 -1.066 . . . . 1.27 110.126 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.98 95.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.076 -1.015 . . . . 0.23 109.118 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.266 -0.896 . . . . 1.23 109.188 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.37 -45.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 0.34 109.517 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.72 -39.99 94.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.228 -0.92 . . . . 0.78 109.982 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.73 84.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.2 109.417 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -59.96 -38.77 83.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -0.866 . . . . 0.22 109.497 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' A' ' 29' ' ' ARG . 17.3 mmm-85 -59.94 -39.84 86.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.386 -0.821 . . . . 3.73 109.887 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.964 -1.085 . . . . 1.39 109.583 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.35 -42.3 83.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.09 -43.15 95.75 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.098 -0.501 . . . . 1.14 110.232 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.42 -39.91 89.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.104 . . . . 1.78 109.455 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 3.7 m-30 -70.14 -38.39 75.5 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.264 -0.897 . . . . 1.25 108.944 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 33.81 6.69 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 109.931 -1.267 . . . . 0.36 109.931 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 37' ' ' SER . 1.3 t -74.62 179.09 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -1.172 . . . . 0.71 108.656 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -69.99 150.5 46.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.083 -1.011 . . . . 1.56 109.916 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 51.1 t0 -64.54 -17.87 64.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.528 -0.733 . . . . 2.35 109.753 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.96 -46.46 89.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.234 -0.916 . . . . 1.51 109.827 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -59.87 -40.4 88.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.945 -1.097 . . . . 0.94 109.762 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -62.48 -43.92 97.64 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.534 -1.284 . . . . 2.14 107.534 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.32 -39.93 88.79 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.484 -0.932 . . . . 1.16 108.484 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD23 HD21 ' A' ' 56' ' ' LEU . 57.2 tp -60.05 -39.79 87.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.464 -0.773 . . . . 0.63 108.963 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.95 -39.96 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.023 -1.048 . . . . 0.38 108.22 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -54.72 -31.07 57.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.46 109.619 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -92.22 2.22 56.74 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.031 -1.043 . . . . 1.22 110.569 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.13 118.61 5.21 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.771 -1.206 . . . . 1.49 109.002 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -69.27 -39.73 78.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 2.97 111.06 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 52' ' ' GLY . 12.2 t -138.99 161.97 36.05 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.023 -1.048 . . . . 1.59 110.951 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.72 -40.04 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.69 -0.631 . . . . 0.47 110.175 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.94 -40.04 60.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.934 -1.104 . . . . 2.64 108.445 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' H ' HG23 ' A' ' 49' ' ' THR . . . -71.57 -32.79 64.21 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.221 -1.552 . . . . 0.41 109.221 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -50.03 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.025 -1.28 . . . . 0.22 110.015 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.76 -1.212 . . . . 1.73 110.845 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.41 79.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.3 109.838 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 43' ' ' LEU . 54.7 tp -69.15 -39.94 78.52 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.322 -0.861 . . . . 0.46 108.959 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 61' ' ' LEU . 35.9 mm -71.82 -39.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.625 -1.297 . . . . 0.23 108.174 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -65.99 -41.27 91.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.588 -0.695 . . . . 1.17 110.356 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' OE2' HD12 ' A' ' 56' ' ' LEU . 16.0 pt-20 -69.93 -38.3 76.17 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.9 -1.125 . . . . 1.04 108.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.98 -41.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.569 -0.853 . . . . 0.33 108.92 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 61' ' ' LEU . 25.9 mt -67.6 -40.04 84.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.179 -0.951 . . . . 1.27 108.911 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.76 -31.12 68.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.917 . . . . 0.48 109.39 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.02 87.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 1.15 109.899 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.7 148.07 98.84 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.149 -0.97 . . . . 1.62 109.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 117.992 -0.92 . . . . 3.05 111.929 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 tpp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.007 -0.738 . . . . 22.77 109.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.695 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -100.04 19.99 15.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.789 . . . . 20.19 108.986 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.46 -38.0 76.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.32 -0.862 . . . . 18.43 108.948 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -107.89 140.01 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 108.903 -0.777 . . . . 17.72 108.903 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -140.53 150.17 43.37 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.215 -0.928 . . . . 17.24 110.225 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' ASN . 82.7 t -129.56 130.58 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 109.17 -0.678 . . . . 15.09 109.17 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.1 mm? -67.12 72.33 0.11 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.333 -0.854 . . . . 15.83 109.168 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' VAL . 43.2 t30 -60.42 -42.84 96.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.411 -0.805 . . . . 14.06 109.725 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.26 131.3 40.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.1 -1.0 . . . . 12.57 109.43 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.637 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.5 pm0 -79.02 150.7 31.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.381 -0.824 . . . . 12.83 109.998 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.5 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 51.6 t-80 -141.78 63.87 1.41 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.436 -0.79 . . . . 11.05 109.419 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -69.9 -19.58 63.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 10.08 109.618 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -150.0 158.54 44.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.06 -1.025 . . . . 9.12 109.934 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.84 63.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.288 -0.883 . . . . 5.44 110.98 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 17' ' ' ALA . 39.2 t -120.37 124.14 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 121.587 -0.696 . . . . 5.04 109.679 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 18' ' ' ASN . 96.1 m-20 -70.48 -20.24 62.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.214 -0.928 . . . . 3.45 110.232 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' H ' HG12 ' A' ' 15' ' ' VAL . . . -55.38 -5.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.125 -0.984 . . . . 2.03 109.671 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 16' ' ' ASP . 24.6 m120 -61.12 -40.05 92.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.26 -0.9 . . . . 2.24 109.949 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -59.94 -40.24 88.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.021 -1.05 . . . . 0.8 109.042 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -62.27 -49.7 74.64 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.369 -0.974 . . . . 1.09 108.369 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.66 74.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.708 -0.62 . . . . 0.27 110.186 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.07 -38.7 83.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 1.27 109.213 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.11 85.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.113 -0.992 . . . . 0.23 108.88 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -69.39 -40.03 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 1.23 109.699 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.96 -49.84 82.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.11 -0.994 . . . . 0.34 108.513 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.8 mt -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.163 -0.961 . . . . 0.78 109.257 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.045 -1.034 . . . . 0.2 108.94 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.55 -40.06 95.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.35 -0.844 . . . . 0.22 109.187 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -63.29 -35.84 81.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.521 -0.737 . . . . 3.73 109.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.96 -40.36 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.948 . . . . 1.39 109.649 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.77 -40.74 97.43 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.036 -1.04 . . . . 0.43 108.491 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.1 t0 -60.05 -36.71 77.91 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.941 -0.572 . . . . 1.14 109.848 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -60.06 -40.39 89.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.139 -0.975 . . . . 1.78 110.12 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -83.84 -11.91 56.32 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.855 -1.153 . . . . 1.25 109.505 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.82 18.17 73.37 Favored Glycine 0 N--CA 1.492 2.433 0 C-N-CA 120.067 -1.064 . . . . 0.36 110.491 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 36' ' ' VAL . 2.6 t -52.38 165.82 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.008 -1.29 . . . . 0.71 109.176 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.7 p -60.23 160.07 8.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.24 -0.912 . . . . 1.56 109.702 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.94 -1.03 41.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 2.35 109.921 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -69.99 -40.05 75.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.865 -1.147 . . . . 1.51 109.769 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.9 -36.61 83.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.331 -0.856 . . . . 0.94 111.823 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -60.04 -39.84 87.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.279 -1.513 . . . . 2.14 108.535 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -60.61 -39.91 89.89 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.566 -0.902 . . . . 1.16 108.566 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.04 -39.39 85.77 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.163 -0.68 . . . . 0.63 109.163 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.05 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.253 -1.017 . . . . 0.38 108.253 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -53.65 -25.83 19.73 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.49 -0.756 . . . . 1.46 109.852 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -89.71 9.23 27.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.074 -1.016 . . . . 1.22 111.141 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 133.24 55.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.648 -1.283 . . . . 1.49 109.694 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -102.21 -20.57 14.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.313 -0.867 . . . . 2.97 110.824 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -140.01 152.5 46.31 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.915 -1.116 . . . . 1.59 109.968 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.9 -42.42 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.47 109.476 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.26 85.14 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.054 -1.091 . . . . 2.64 108.054 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.0 -35.03 90.82 Favored Glycine 0 N--CA 1.484 1.879 0 N-CA-C 109.327 -1.509 . . . . 0.41 109.327 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.09 -49.84 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.962 -1.316 . . . . 0.22 109.331 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -60.49 -45.2 94.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.096 -1.002 . . . . 1.73 110.65 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.46 64.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.084 -1.01 . . . . 0.3 110.178 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 tp -69.96 -40.04 75.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.279 -0.888 . . . . 0.46 109.991 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.9 mm -73.0 -39.21 57.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 120.323 -1.485 . . . . 0.23 107.869 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.57 -40.05 94.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.558 -0.714 . . . . 1.17 110.819 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -36.35 74.98 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.834 -1.167 . . . . 1.04 108.163 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.02 -41.0 79.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.506 -0.747 . . . . 0.33 109.247 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.05 -36.61 75.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 1.27 109.802 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.08 91.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.998 . . . . 0.48 109.441 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.37 89.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 1.15 108.95 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.1 mt -75.77 150.01 83.65 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.846 -0.798 . . . . 1.62 108.846 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 CA-C-O 117.995 -0.919 . . . . 3.05 111.875 179.695 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.197 0.522 . . . . 22.77 109.755 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -94.48 116.55 28.92 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.212 -0.93 . . . . 20.19 108.832 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.13 112.85 0.46 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.33 -0.856 . . . . 18.43 109.377 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -168.12 -32.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.113 -0.992 . . . . 17.72 109.725 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.61 139.59 57.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.09 -1.006 . . . . 17.24 108.401 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.05 -47.14 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.133 -0.979 . . . . 15.09 110.189 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.0 mt -81.46 161.03 23.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.215 -0.928 . . . . 15.83 109.014 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -56.6 145.99 26.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.156 -0.965 . . . . 14.06 109.37 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' CE1' ' A' ' 11' ' ' HIS . . . -68.21 -20.36 64.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.27 -0.894 . . . . 12.57 109.933 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.02 129.98 44.44 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.123 -0.986 . . . . 12.83 109.422 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 9' ' ' ALA . 79.5 m80 -110.36 113.76 26.68 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.518 -0.739 . . . . 11.05 109.396 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.0 t0 -170.14 -117.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.196 -0.94 . . . . 10.08 109.704 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 98.9 mt-10 -60.05 -39.43 85.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 9.12 109.243 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 141.69 54.45 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.839 . . . . 5.44 109.401 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 16' ' ' ASP . 33.0 m -130.01 160.04 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 109.016 -0.735 . . . . 5.04 109.016 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' A' ' 15' ' ' VAL . 95.6 m-20 -56.92 -118.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.789 . . . . 3.45 109.688 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.59 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.806 -1.184 . . . . 2.03 110.021 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.94 -22.75 63.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.445 -0.784 . . . . 2.24 110.274 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.09 -41.41 92.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.079 -1.013 . . . . 0.8 110.076 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.08 -40.59 74.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.868 -1.145 . . . . 1.09 109.035 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -69.15 -46.7 66.93 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 0.27 109.941 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -60.05 -47.21 86.81 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.933 -1.105 . . . . 1.27 109.446 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.89 79.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.186 -0.946 . . . . 0.23 109.013 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.03 -39.95 75.48 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.36 -0.837 . . . . 1.23 109.618 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 21' ' ' ALA . 52.3 t -65.22 -49.85 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.34 110.175 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.57 -40.04 94.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.919 -1.113 . . . . 0.78 110.144 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.76 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.127 -0.983 . . . . 0.2 109.569 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -60.02 -40.34 88.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.472 -0.768 . . . . 0.22 109.686 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 29' ' ' ARG . 50.0 mtt-85 -60.27 -39.25 86.17 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.315 -0.866 . . . . 3.73 110.078 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -39.86 87.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.282 -0.886 . . . . 1.39 109.341 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.96 -39.77 86.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.185 -0.947 . . . . 0.43 108.552 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.89 -38.02 69.64 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.094 -0.706 . . . . 1.14 109.094 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -59.95 -50.22 74.6 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.594 -0.891 . . . . 1.78 108.594 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.16 -36.49 72.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.523 -0.735 . . . . 1.25 109.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.61 12.49 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.957 -1.257 . . . . 0.36 109.957 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.13 -173.5 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -1.212 . . . . 0.71 109.413 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -69.91 159.99 32.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.182 -0.949 . . . . 1.56 109.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -85.8 4.91 34.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.211 -0.931 . . . . 2.35 109.348 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -82.9 -42.97 17.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.51 109.416 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.11 -39.57 86.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.409 -0.807 . . . . 0.94 110.843 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.01 -36.53 77.42 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.734 -1.229 . . . . 2.14 108.238 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -67.96 -34.99 77.62 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.596 -0.69 . . . . 1.16 109.184 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 59.7 tp -60.03 -42.21 93.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.63 109.365 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.6 -39.97 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.38 109.681 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.41 -30.56 52.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -0.853 . . . . 1.46 109.613 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 25.2 p30 -104.81 20.0 19.5 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.391 -0.818 . . . . 1.22 109.847 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.67 137.97 53.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 1.49 109.547 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -68.39 -41.5 80.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.283 -0.885 . . . . 2.97 109.041 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -149.16 158.9 44.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.069 . . . . 1.59 109.778 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.9 p -66.59 -25.11 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.303 -0.873 . . . . 0.47 110.06 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.218 -1.03 . . . . 2.64 108.218 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.92 -28.88 53.53 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 109.712 -1.355 . . . . 0.41 109.712 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -48.41 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.282 . . . . 0.22 109.621 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.62 -39.93 90.03 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.11 -0.994 . . . . 1.73 110.173 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.99 -25.86 59.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.3 110.436 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD21 HD23 ' A' ' 43' ' ' LEU . 36.7 tp -68.69 -40.05 80.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.46 109.157 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -64.84 -37.68 80.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.082 -1.081 . . . . 0.23 108.082 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.08 -39.99 87.98 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.718 -0.793 . . . . 1.17 109.383 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.99 -39.93 75.63 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.331 -0.988 . . . . 1.04 108.331 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.42 -45.8 88.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 C-N-CA 120.034 -0.666 . . . . 0.33 109.339 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 81.7 mt -69.52 -39.14 77.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 1.27 109.221 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.129 -0.982 . . . . 0.48 109.875 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.27 21.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.208 -0.932 . . . . 1.15 110.769 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.1 pp -70.33 149.99 95.84 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 1.62 109.014 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' C ' HD12 ' A' ' 64' ' ' LEU . 20.9 Cg_exo . . . . . 0 N--CA 1.49 1.297 0 C-N-CA 120.693 0.928 . . . . 3.05 112.333 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.189 -0.671 . . . . 22.77 109.189 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -69.37 140.48 54.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.191 -0.943 . . . . 20.19 109.276 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.38 -164.98 1.04 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 18.43 109.274 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 5' ' ' PHE . 15.9 tt -59.97 -40.03 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.253 -0.904 . . . . 17.72 109.119 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' N ' HG23 ' A' ' 4' ' ' ILE . 89.9 m-85 -67.14 138.55 57.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.3 -0.875 . . . . 17.24 109.242 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 m -134.68 159.81 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.49 -0.756 . . . . 15.09 109.366 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -68.55 -40.06 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 15.83 109.447 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -78.73 160.32 27.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 14.06 109.581 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.39 -16.75 38.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.942 . . . . 12.57 109.275 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -159.63 160.35 34.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.43 -0.794 . . . . 12.83 109.167 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -103.69 109.21 20.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.366 -0.834 . . . . 11.05 109.424 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -171.05 118.2 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 10.08 109.235 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -140.64 -80.03 0.27 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.212 -0.93 . . . . 9.12 109.783 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.11 158.49 26.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 5.44 110.113 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.68 142.01 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.526 -0.734 . . . . 5.04 109.06 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.02 -22.54 63.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.13 -0.981 . . . . 3.45 109.762 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 2.03 109.981 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.42 -11.9 58.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.191 -0.943 . . . . 2.24 110.294 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -59.98 -43.39 95.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.973 -1.08 . . . . 0.8 110.355 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -70.0 -39.96 75.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.861 -1.149 . . . . 1.09 108.77 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.02 -50.01 75.42 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.191 -0.943 . . . . 0.27 109.372 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.1 -42.59 98.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 1.27 109.126 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.56 89.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.45 -0.781 . . . . 0.23 109.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 47' ' ' ALA . 32.1 mttm -69.32 -40.08 77.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.288 -0.882 . . . . 1.23 108.825 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -63.82 -49.31 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.337 -0.852 . . . . 0.34 109.12 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.42 -41.85 98.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.78 109.097 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.86 88.69 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.402 -0.962 . . . . 0.2 108.402 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.92 -40.12 87.77 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.605 -0.685 . . . . 0.22 109.219 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 29' ' ' ARG . 10.0 mmt-85 -59.98 -38.99 84.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.373 -0.829 . . . . 3.73 110.021 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -41.79 92.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 1.39 110.081 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.56 -45.32 87.6 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.662 -1.236 . . . . 0.43 107.662 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -59.96 -39.9 87.22 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.716 -0.846 . . . . 1.14 108.716 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -60.06 -49.96 75.61 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.557 -0.714 . . . . 1.78 109.359 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -70.04 -31.06 68.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.124 -0.985 . . . . 1.25 109.665 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.71 30.58 11.38 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.493 -1.443 . . . . 0.36 109.493 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.2 t -66.65 168.27 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.17 -1.194 . . . . 0.71 109.166 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.401 ' H ' HG12 ' A' ' 36' ' ' VAL . 45.2 t -58.07 140.03 53.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.56 109.718 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 56.6 t0 -59.51 -16.52 25.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.469 -0.769 . . . . 2.35 110.153 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.96 -46.18 90.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.51 109.946 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -61.1 -31.47 71.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.144 -0.973 . . . . 0.94 110.377 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -62.49 -41.07 98.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.892 -1.13 . . . . 2.14 109.198 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.32 -36.05 82.85 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.042 -0.725 . . . . 1.16 109.042 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.17 -40.02 92.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.513 -0.742 . . . . 0.63 109.172 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.3 mm -60.07 -41.33 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.072 -1.018 . . . . 0.38 108.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 1.46 109.642 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -69.37 -9.5 53.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.302 -0.874 . . . . 1.22 110.987 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 24' ' ' LYS . . . -56.25 136.52 53.06 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.195 . . . . 1.49 110.213 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.77 -19.58 17.37 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.492 -0.755 . . . . 2.97 110.221 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 52' ' ' GLY . 6.9 t -143.4 148.85 36.81 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.986 -1.071 . . . . 1.59 110.287 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.99 -29.18 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.49 -0.756 . . . . 0.47 110.71 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -58.72 -39.98 82.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.71 -1.218 . . . . 2.64 107.71 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HG23 ' A' ' 49' ' ' THR . . . -73.22 -29.69 64.0 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.377 -1.489 . . . . 0.41 109.377 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.1 t -60.02 -50.0 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.304 . . . . 0.22 109.546 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -61.36 -44.85 96.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.085 -1.01 . . . . 1.73 110.342 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -69.77 -34.35 73.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.273 -0.892 . . . . 0.3 110.323 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.402 -0.811 . . . . 0.46 109.888 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.75 -39.9 87.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.083 -1.011 . . . . 0.23 108.354 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.58 -40.03 90.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 1.17 109.695 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -69.96 -40.04 75.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.17 -0.956 . . . . 1.04 108.708 179.605 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.78 -47.2 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.445 -0.785 . . . . 0.33 109.443 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 61' ' ' LEU . 86.7 mt -69.93 -30.03 67.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 1.27 109.372 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.11 -10.59 59.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.211 -0.931 . . . . 0.48 109.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.84 68.32 1.0 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.232 -0.918 . . . . 1.15 109.87 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 64' ' ' LEU . 6.2 mp -67.26 149.85 98.21 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 1.62 108.852 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 N--CA 1.493 1.476 0 CA-C-O 118.071 -0.887 . . . . 3.05 111.822 179.412 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.208 0.528 . . . . 22.77 109.719 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.99 -41.33 91.81 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 20.19 109.234 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.69 16.1 0.78 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.233 -0.917 . . . . 18.43 109.248 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.3 mm -106.73 140.14 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.477 -0.764 . . . . 17.72 109.531 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -47.28 155.06 0.35 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.21 -0.931 . . . . 17.24 109.573 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.092 -1.005 . . . . 15.09 109.56 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.8 mp -76.61 130.02 37.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.945 . . . . 15.83 109.053 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.35 -42.15 95.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 14.06 109.811 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.19 146.71 30.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 12.57 109.033 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.0 -30.83 70.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.188 -0.945 . . . . 12.83 109.218 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 12' ' ' ASP . 81.3 t60 -144.04 -101.69 0.11 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.398 -0.814 . . . . 11.05 109.079 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 11' ' ' HIS . 10.8 t70 -70.56 152.18 44.23 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.219 -0.925 . . . . 10.08 109.649 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 37.9 mp0 -60.33 -39.96 88.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 9.12 109.204 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.85 145.78 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.898 -0.779 . . . . 5.44 108.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.3 m -89.2 120.48 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.026 -1.046 . . . . 5.04 109.597 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -85.17 170.03 13.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.375 -0.828 . . . . 3.45 109.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.73 -34.12 0.18 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.238 -0.914 . . . . 2.03 109.581 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.01 -40.24 92.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 2.24 109.861 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.3 p -69.8 -40.89 75.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.088 -1.008 . . . . 0.8 109.356 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.9 mm? -67.77 -40.97 83.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 1.09 108.897 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -68.92 -44.41 73.17 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.431 -0.793 . . . . 0.27 110.048 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.98 -46.84 88.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.796 -1.19 . . . . 1.27 109.357 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.54 85.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.204 -0.935 . . . . 0.23 108.74 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mttt -67.84 -40.06 83.78 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.533 -0.73 . . . . 1.23 109.175 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.5 t -66.85 -48.44 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.34 109.604 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.45 -40.85 92.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.074 -1.016 . . . . 0.78 109.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.51 75.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.144 -0.972 . . . . 0.2 108.956 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.0 -39.99 87.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.606 -0.683 . . . . 0.22 109.854 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -59.95 -40.31 88.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.165 -0.959 . . . . 3.73 110.459 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.868 -1.145 . . . . 1.39 109.472 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.06 -46.23 90.24 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.193 -1.04 . . . . 0.43 108.193 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.121 -1.066 . . . . 1.14 108.121 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.16 -46.48 89.54 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.009 -0.737 . . . . 1.78 109.009 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -69.98 -30.98 68.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -0.902 . . . . 1.25 109.319 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.54 30.61 9.6 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.951 -1.26 . . . . 0.36 109.951 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG12 ' CD2' ' A' ' 40' ' ' TYR . 2.2 t -70.72 161.09 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.227 -1.161 . . . . 0.71 109.137 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -59.2 160.31 6.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.216 -0.928 . . . . 1.56 109.744 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.36 -17.02 63.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 2.35 109.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.03 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 1.51 110.29 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CD2' HG12 ' A' ' 36' ' ' VAL . 87.9 m-85 -60.18 -40.86 91.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.99 -1.068 . . . . 0.94 109.493 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -65.85 -39.99 91.29 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.519 -0.919 . . . . 2.14 108.519 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.68 -39.13 93.14 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.91 -0.774 . . . . 1.16 108.91 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.03 -40.45 89.38 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.387 -0.82 . . . . 0.63 109.637 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 57' ' ' ILE . 8.0 mm -60.08 -41.63 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.38 108.688 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.04 -40.07 88.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 1.46 109.157 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.28 -39.92 88.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.43 -0.793 . . . . 1.22 109.506 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . -54.58 130.18 39.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.267 -0.896 . . . . 1.49 109.816 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -102.79 0.03 32.14 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.434 -0.791 . . . . 2.97 109.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.5 p -127.41 136.87 52.44 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.301 -0.874 . . . . 1.59 109.763 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.62 -30.57 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.328 -0.858 . . . . 0.47 110.272 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.94 -40.12 87.89 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.587 -1.264 . . . . 2.64 107.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -33.88 71.7 Favored Glycine 0 N--CA 1.483 1.807 0 N-CA-C 108.702 -1.759 . . . . 0.41 108.702 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG13 HD12 ' A' ' 44' ' ' ILE . 61.4 t -62.41 -50.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.071 -1.253 . . . . 0.22 109.535 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -61.25 -44.83 96.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 1.73 110.134 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . -68.86 -39.88 79.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.3 109.809 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.07 -50.02 75.37 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.46 108.894 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 44' ' ' ILE . 45.1 mm -66.85 -39.3 83.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.428 -0.795 . . . . 0.23 109.638 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.223 -0.991 . . . . 1.17 109.174 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -69.55 -39.98 77.11 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.04 108.267 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.4 mt -70.09 -42.02 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.509 -0.744 . . . . 0.33 109.919 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 61' ' ' LEU . 34.2 mt -61.77 -39.81 92.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 1.27 109.303 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.68 -20.94 37.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.08 -1.013 . . . . 0.48 109.321 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -3.41 58.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.19 -0.944 . . . . 1.15 109.579 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.02 77.1 77.14 Favored Pre-proline 0 N--CA 1.5 2.058 0 O-C-N 121.471 -0.768 . . . . 1.62 109.434 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.49 1.267 0 C-N-CA 120.968 1.112 . . . . 3.05 111.952 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.48 -0.563 . . . . 22.77 109.48 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.36 -40.03 92.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 20.19 109.927 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.94 133.61 28.74 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.245 -0.909 . . . . 18.43 109.863 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -60.65 -40.54 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.281 -0.887 . . . . 17.72 109.048 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.64 160.68 37.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.405 -0.809 . . . . 17.24 109.234 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.62 131.44 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.602 -0.687 . . . . 15.09 109.226 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.95 -43.57 94.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.233 -0.917 . . . . 15.83 109.719 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -96.72 -121.13 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.369 -0.832 . . . . 14.06 109.796 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.94 115.64 3.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.024 -1.047 . . . . 12.57 109.317 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -68.18 -39.98 82.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.401 -0.812 . . . . 12.83 110.339 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.611 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -91.28 67.67 5.81 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.972 -1.08 . . . . 11.05 109.941 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.014 -1.054 . . . . 10.08 109.784 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -151.6 159.93 43.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.231 -0.918 . . . . 9.12 109.558 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.06 21.74 0.57 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 5.44 109.628 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 160.0 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.55 -0.719 . . . . 5.04 109.198 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -83.97 120.4 26.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.098 -1.002 . . . . 3.45 109.231 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.26 10.21 41.87 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.309 -0.87 . . . . 2.03 109.684 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.93 -79.88 0.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.193 -0.942 . . . . 2.24 109.931 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -59.98 -39.97 87.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.308 -0.87 . . . . 0.8 110.106 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.01 -40.29 88.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.09 109.64 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.07 95.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.164 -0.96 . . . . 0.27 110.311 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -40.11 94.07 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.927 -1.108 . . . . 1.27 109.146 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.64 80.87 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.428 -0.909 . . . . 0.23 109.289 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.274 -0.891 . . . . 1.23 108.832 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.04 -49.24 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.34 109.701 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.28 -39.9 88.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.137 -0.977 . . . . 0.78 109.925 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -68.37 -39.33 81.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.2 109.338 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -59.97 -40.07 87.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.46 -0.775 . . . . 0.22 110.003 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -59.96 -38.61 83.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.131 -0.98 . . . . 3.73 109.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 1.39 109.811 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.86 -39.83 91.09 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.085 -1.009 . . . . 0.43 108.353 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.08 -49.68 76.71 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.101 -0.499 . . . . 1.14 111.03 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -39.86 80.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 1.78 109.658 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.17 -39.92 88.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.987 -1.07 . . . . 1.25 108.471 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.11 25.7 25.93 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.901 -1.28 . . . . 0.36 109.901 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -70.68 -170.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -1.163 . . . . 0.71 109.366 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.5 p -69.94 149.41 47.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.045 -1.034 . . . . 1.56 109.562 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.33 -17.39 61.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.362 -0.837 . . . . 2.35 109.922 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.145 -0.972 . . . . 1.51 110.782 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 65.8 m-85 -59.95 -35.86 75.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.19 -0.944 . . . . 0.94 111.702 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -60.01 -40.07 87.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.512 -1.367 . . . . 2.14 108.632 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.37 -39.96 89.1 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.431 -0.793 . . . . 1.16 109.014 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.19 -39.78 93.88 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.474 -0.766 . . . . 0.63 109.186 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.67 -39.98 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 107.953 -1.128 . . . . 0.38 107.953 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -59.97 -39.96 87.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.644 -0.66 . . . . 1.46 109.34 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -94.68 20.43 8.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.37 -0.832 . . . . 1.22 110.504 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 139.53 57.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.854 -1.154 . . . . 1.49 108.829 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.03 -40.5 95.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.244 -0.91 . . . . 2.97 110.87 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -166.88 167.02 15.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.862 -1.148 . . . . 1.59 109.362 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.83 -30.9 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.104 -0.997 . . . . 0.47 109.583 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.97 -34.1 72.82 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.391 -0.966 . . . . 2.64 108.391 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.93 -15.71 62.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.723 -1.351 . . . . 0.41 109.723 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.36 -49.99 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.81 -1.406 . . . . 0.22 111.012 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.61 67.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.436 -1.415 . . . . 1.73 110.371 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.75 -33.43 75.85 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.064 -1.023 . . . . 0.3 109.12 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.68 -39.83 76.75 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.522 -0.918 . . . . 0.46 108.522 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 ' HB1' ' A' ' 27' ' ' ALA . 7.2 mm -70.02 -39.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.627 -1.296 . . . . 0.23 108.188 178.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.62 -40.09 84.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.503 -0.748 . . . . 1.17 110.792 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -70.14 -37.31 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.869 -1.144 . . . . 1.04 108.269 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -69.95 -41.95 79.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.434 -0.791 . . . . 0.33 108.93 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.97 -40.01 75.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.327 -0.858 . . . . 1.27 109.083 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.53 73.3 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 0.48 109.383 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 1.15 109.649 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 mt -70.12 148.63 96.03 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.055 -1.028 . . . . 1.62 108.606 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.493 1.486 0 CA-C-O 118.018 -0.909 . . . . 3.05 111.874 179.927 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.2 -0.667 . . . . 22.77 109.2 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -60.04 -40.38 89.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 20.19 109.62 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.04 160.03 35.37 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 18.43 109.62 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.08 -42.54 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 17.72 109.181 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -63.28 140.02 58.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.304 -0.873 . . . . 17.24 109.044 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.75 117.93 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.152 -0.967 . . . . 15.09 109.648 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.11 -40.8 9.86 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.586 -0.894 . . . . 15.83 108.586 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -152.82 157.94 41.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 14.06 109.148 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.32 146.81 50.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 12.57 109.428 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.95 -40.88 90.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.174 -0.954 . . . . 12.83 109.083 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -140.24 168.77 19.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.43 -0.793 . . . . 11.05 109.104 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.35 77.13 0.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 10.08 109.416 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -79.87 131.88 35.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 9.12 109.381 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.11 -129.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 5.44 109.373 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.8 t -70.81 131.91 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.055 -1.028 . . . . 5.04 109.307 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -82.61 77.1 9.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 3.45 109.695 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.03 -20.78 62.35 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.24 -0.912 . . . . 2.03 109.248 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -60.09 -40.03 88.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.468 -0.77 . . . . 2.24 109.945 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.0 p -60.03 -43.28 95.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.077 -1.014 . . . . 0.8 109.369 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.177 -0.952 . . . . 1.09 109.083 179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.0 83.0 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.485 -0.759 . . . . 0.27 109.792 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.22 -0.925 . . . . 1.27 109.522 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.98 78.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.916 -1.115 . . . . 0.23 108.537 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -66.89 -39.99 87.63 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.392 -0.817 . . . . 1.23 108.821 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.19 -46.2 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.451 -0.78 . . . . 0.34 109.172 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.32 -42.01 99.02 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.217 -0.927 . . . . 0.78 109.202 178.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.94 72.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 0.2 109.227 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.01 -46.34 89.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.569 -0.707 . . . . 0.22 109.992 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -70.03 -27.62 64.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.974 . . . . 3.73 109.61 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -40.13 88.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.39 109.778 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 44' ' ' ILE . 33.3 mt -60.25 -38.01 82.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.807 -1.183 . . . . 0.43 109.499 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.08 -40.21 88.75 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.512 -177.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -64.74 -40.0 94.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.458 -1.401 . . . . 1.78 110.065 -179.251 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 76.9 m-85 -71.65 -38.44 70.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.878 -1.139 . . . . 1.25 109.632 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.08 28.06 19.09 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.552 -1.419 . . . . 0.36 109.552 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 36' ' ' VAL . 7.9 m -70.1 -170.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.144 -1.209 . . . . 0.71 109.527 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.6 t -70.03 150.14 46.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.861 . . . . 1.56 109.994 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -83.37 3.89 29.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.39 -0.819 . . . . 2.35 109.331 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -81.62 -41.98 20.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.236 -0.915 . . . . 1.51 109.792 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.0 -29.98 68.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.445 -0.785 . . . . 0.94 110.641 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -33.87 72.6 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.892 -1.13 . . . . 2.14 108.744 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -69.96 -38.71 76.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.469 -0.769 . . . . 1.16 109.184 179.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -41.74 92.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.38 -0.825 . . . . 0.63 109.514 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 31' ' ' LEU . 81.6 mt -60.57 -39.91 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.995 -1.066 . . . . 0.38 109.018 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.08 -39.59 86.6 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.411 -0.805 . . . . 1.46 109.05 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -69.57 -20.37 63.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.304 -0.873 . . . . 1.22 109.929 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.69 138.85 58.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 1.49 109.137 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -107.65 0.92 22.8 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.505 -0.747 . . . . 2.97 110.629 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 p -136.63 143.51 43.56 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.11 -0.994 . . . . 1.59 109.69 179.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.12 -28.9 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.382 -0.824 . . . . 0.47 109.887 179.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.65 -40.0 86.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.791 -1.193 . . . . 2.64 107.835 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.59 69.95 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.333 -1.507 . . . . 0.41 109.333 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.06 -49.6 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.047 -1.267 . . . . 0.22 109.389 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -66.44 -40.03 89.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.128 -0.982 . . . . 1.73 109.827 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -74.34 -9.99 59.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.3 109.904 -179.309 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -83.48 -50.34 8.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.843 -1.16 . . . . 0.46 109.149 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.2 mm -62.29 -44.32 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.68 -0.637 . . . . 0.23 110.715 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 55' ' ' ALA . 34.6 p-10 -60.1 -40.07 88.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.933 -1.104 . . . . 1.17 109.842 -178.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -70.0 -40.1 75.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.027 -1.046 . . . . 1.04 108.603 179.005 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.37 -49.82 76.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.42 -0.8 . . . . 0.33 109.409 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 64' ' ' LEU . 81.2 mt -69.65 -39.81 76.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 1.27 109.209 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.08 -24.45 67.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.48 109.548 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.01 -36.08 76.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.229 -0.92 . . . . 1.15 109.477 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 64' ' ' LEU . 3.7 pp -126.6 149.98 69.59 Favored Pre-proline 0 N--CA 1.5 2.049 0 N-CA-C 108.821 -0.807 . . . . 1.62 108.821 -179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.431 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.3 Cg_endo . . . . . 0 N--CA 1.494 1.5 0 CA-C-O 117.989 -0.921 . . . . 3.05 111.878 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.407 -0.59 . . . . 22.77 109.407 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -69.25 145.6 53.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 20.19 109.584 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.02 139.98 57.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 18.43 109.86 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.56 126.27 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 109.168 -0.679 . . . . 17.72 109.168 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -80.69 109.72 15.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.017 -1.052 . . . . 17.24 109.359 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.96 138.54 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.269 -0.894 . . . . 15.09 108.915 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.723 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -159.96 160.02 32.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.204 -0.935 . . . . 15.83 109.761 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 7' ' ' LEU . 31.1 m120 -153.92 2.06 0.24 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 14.06 109.587 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.67 -80.02 0.34 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.184 -0.948 . . . . 12.57 109.648 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -85.55 148.24 26.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 12.83 109.018 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 12' ' ' ASP . 27.6 t-80 -159.12 169.61 23.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.139 -0.976 . . . . 11.05 109.374 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 53.1 t0 -55.81 -21.61 20.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.425 -0.797 . . . . 10.08 109.723 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -51.31 139.85 18.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.044 -1.035 . . . . 9.12 109.771 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.69 -58.72 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.468 -0.77 . . . . 5.44 109.473 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.36 122.06 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 109.297 -0.631 . . . . 5.04 109.297 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 29.1 p-10 -108.33 139.22 43.36 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.529 -0.732 . . . . 3.45 109.656 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.69 2.05 49.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 2.03 109.517 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -90.01 -79.95 0.33 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.12 -0.988 . . . . 2.24 110.237 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.331 -0.855 . . . . 0.8 110.021 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.1 -52.68 64.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 1.09 108.703 -179.859 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.37 90.76 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.343 -0.848 . . . . 0.27 109.854 179.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -40.01 87.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.277 -0.889 . . . . 1.27 109.911 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -46.47 88.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.132 -0.98 . . . . 0.23 109.323 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -69.11 -40.04 78.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.975 -1.078 . . . . 1.23 109.173 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.32 -50.03 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.128 -0.982 . . . . 0.34 109.267 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 80.7 mt -61.55 -41.2 97.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.08 -1.013 . . . . 0.78 109.644 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.96 -40.76 75.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 0.2 109.423 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -60.03 -39.98 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.22 109.196 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -60.5 -40.05 89.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.451 -0.78 . . . . 3.73 109.476 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 53.3 tp10 -59.97 -49.13 78.9 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.08 . . . . 1.39 109.637 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -38.22 90.09 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.041 0.924 . . . . 0.43 108.896 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.0 -39.68 86.58 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.811 -0.811 . . . . 1.14 108.811 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 7.6 ttpm? -60.09 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.361 -0.837 . . . . 1.78 109.228 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.37 -39.95 94.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.149 -0.969 . . . . 1.25 109.545 179.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.21 17.23 35.16 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.837 -1.305 . . . . 0.36 109.837 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.8 164.94 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -1.185 . . . . 0.71 108.948 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.4 m -55.56 150.2 12.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.056 -1.028 . . . . 1.56 109.493 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -70.07 -5.89 29.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.392 -0.818 . . . . 2.35 109.898 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -59.91 -48.96 79.58 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.243 -0.91 . . . . 1.51 109.864 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.0 -39.97 87.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 0.94 110.426 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -68.19 -39.92 82.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.63 -1.294 . . . . 2.14 108.647 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.58 -39.98 93.11 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.244 -1.021 . . . . 1.16 108.244 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.65 -40.72 93.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.331 -0.856 . . . . 0.63 109.114 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.81 -42.86 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.171 -0.955 . . . . 0.38 109.119 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -50.94 -28.15 9.12 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.818 . . . . 1.46 108.955 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -97.06 13.79 27.89 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 1.22 109.667 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 140.04 56.98 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.49 109.614 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.17 18.28 14.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.503 -0.748 . . . . 2.97 109.963 -179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 m -151.41 159.44 44.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 1.59 109.397 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -80.58 -68.94 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.096 -1.002 . . . . 0.47 110.13 -179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 7.2 pm0 -58.9 -26.21 64.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.399 -0.813 . . . . 2.64 109.351 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.96 -28.38 71.9 Favored Glycine 0 N--CA 1.484 1.895 0 N-CA-C 108.939 -1.664 . . . . 0.41 108.939 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 49' ' ' THR . 50.9 t -68.35 -51.48 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.26 -1.141 . . . . 0.22 110.66 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -69.97 -30.07 67.33 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.912 -1.118 . . . . 1.73 110.864 -178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.83 69.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.988 -1.07 . . . . 0.3 109.916 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -49.85 76.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.46 108.799 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -60.05 -37.07 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.771 -0.825 . . . . 0.23 108.771 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.04 87.55 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.122 -1.031 . . . . 1.17 108.718 -179.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.39 -40.09 74.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.242 -0.911 . . . . 1.04 109.045 179.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.4 mt -69.94 -40.29 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.534 -0.729 . . . . 0.33 110.188 -179.1 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 57' ' ' ILE . 62.9 mt -80.13 -10.42 59.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.075 -1.016 . . . . 1.27 109.486 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.89 75.86 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.077 -1.014 . . . . 0.48 108.983 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.7 76.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 1.15 109.518 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -72.19 148.43 91.31 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.307 -0.87 . . . . 1.62 108.879 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 CA-C-O 117.95 -0.937 . . . . 3.05 111.908 179.596 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mtp . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.207 0.527 . . . . 22.77 109.591 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.64 140.02 55.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.313 -0.867 . . . . 20.19 109.242 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.48 -52.83 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.118 -0.989 . . . . 18.43 109.73 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 4' ' ' ILE . 18.0 tt -136.39 131.52 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.462 -0.773 . . . . 17.72 110.156 -179.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 8.7 m-85 -90.19 -168.78 2.21 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.245 -0.909 . . . . 17.24 108.959 179.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.09 -39.96 81.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 15.09 109.885 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 59.8 tp -136.01 129.74 32.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.245 -0.91 . . . . 15.83 109.663 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 35.0 m120 -154.63 101.73 2.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.46 -0.775 . . . . 14.06 109.426 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.9 -104.24 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.33 -0.856 . . . . 12.57 109.574 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.638 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 3.3 pm0 -80.34 151.21 29.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 12.83 109.355 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.479 ' NE2' ' OE1' ' A' ' 13' ' ' GLU . 3.5 t60 -135.0 106.4 6.8 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.625 -0.88 . . . . 11.05 108.625 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -70.12 -21.5 63.1 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.193 -0.942 . . . . 10.08 110.383 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' OE1' ' NE2' ' A' ' 11' ' ' HIS . 98.9 mt-10 -60.06 -40.02 88.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.993 -1.067 . . . . 9.12 110.004 -179.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.08 44.69 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.079 -1.013 . . . . 5.44 109.875 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.76 157.92 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.419 -0.8 . . . . 5.04 109.193 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' ASN . 36.1 p-10 -137.15 -138.03 0.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.101 -0.999 . . . . 3.45 110.402 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.4 -29.93 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.749 -0.594 . . . . 2.03 111.086 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ASP . 45.4 t30 -59.98 -39.99 87.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.002 -1.061 . . . . 2.24 109.156 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -60.08 -41.03 91.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.8 110.295 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.0 -41.49 92.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.04 -1.037 . . . . 1.09 109.02 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.61 -46.6 89.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.261 -0.899 . . . . 0.27 110.064 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.91 -48.91 79.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.803 -1.186 . . . . 1.27 109.822 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.54 94.54 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.23 108.549 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -69.96 -39.98 75.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.505 -0.747 . . . . 1.23 109.344 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 21' ' ' ALA . 55.0 t -67.44 -44.87 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -0.964 . . . . 0.34 109.656 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.12 -41.82 93.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.941 -1.1 . . . . 0.78 109.445 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.54 55.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.214 -0.929 . . . . 0.2 109.649 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.96 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.22 109.803 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -72.25 -28.0 62.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.055 . . . . 3.73 110.455 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.99 -41.59 92.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.89 -1.131 . . . . 1.39 109.596 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.98 -39.96 75.65 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.869 -1.16 . . . . 0.43 107.869 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.96 -35.76 80.68 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.996 -1.113 . . . . 1.14 107.996 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ARG . 84.2 tttt -59.93 -48.18 82.75 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.458 -0.571 . . . . 1.78 109.458 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.0 -31.5 69.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.981 -1.074 . . . . 1.25 109.119 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.62 18.33 28.25 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.318 -1.113 . . . . 0.36 110.318 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.3 m -69.62 164.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.309 . . . . 0.71 109.117 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 m -49.97 141.18 11.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.217 -0.927 . . . . 1.56 109.849 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -69.99 -9.97 57.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.345 -0.847 . . . . 2.35 109.641 -179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.96 -40.11 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.212 -0.93 . . . . 1.51 109.235 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -59.83 -35.93 75.75 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.405 -0.81 . . . . 0.94 110.226 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -60.16 -43.6 95.67 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.798 -1.189 . . . . 2.14 108.246 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -59.98 -39.99 87.58 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.597 -0.841 . . . . 1.16 108.885 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.07 -40.04 88.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.186 -0.946 . . . . 0.63 108.91 179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 4.7 mm -60.0 -40.65 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.152 -0.968 . . . . 0.38 108.774 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.95 -39.56 85.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.408 -0.808 . . . . 1.46 109.67 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -84.62 5.79 26.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.311 -0.868 . . . . 1.22 110.6 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.96 137.63 20.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.887 -1.133 . . . . 1.49 109.447 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -107.06 12.1 28.94 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.462 -0.774 . . . . 2.97 110.473 -179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 m -147.55 148.21 30.93 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.93 -1.106 . . . . 1.59 109.835 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.76 -56.91 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.401 -0.812 . . . . 0.47 109.144 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.06 -39.21 89.0 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.895 -0.78 . . . . 2.64 108.895 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.68 -24.29 7.67 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 109.168 -1.573 . . . . 0.41 109.168 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -50.04 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.101 -1.235 . . . . 0.22 110.164 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -77.68 -37.29 50.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.939 -1.101 . . . . 1.73 110.707 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.03 -25.94 68.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.3 109.206 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 tp -70.01 -33.01 71.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.727 -0.842 . . . . 0.46 108.727 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 44' ' ' ILE . 9.5 mm -76.67 -38.92 31.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.657 -1.277 . . . . 0.23 107.935 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.22 -39.97 82.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.59 -0.693 . . . . 1.17 110.531 -178.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.95 -38.44 76.13 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.074 -1.016 . . . . 1.04 108.44 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.91 -40.15 78.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.451 -0.781 . . . . 0.33 109.656 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.92 -34.31 73.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 1.27 109.278 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.71 86.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.186 -0.946 . . . . 0.48 109.221 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.95 -5.52 17.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 1.15 109.541 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 mt -130.06 77.21 76.9 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.483 -0.761 . . . . 1.62 109.211 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 C-N-CA 121.017 1.145 . . . . 3.05 112.275 -179.805 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.922 -0.769 . . . . 22.77 108.922 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.34 6.57 47.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.495 -0.753 . . . . 20.19 109.847 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.07 2.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 18.43 109.223 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.31 132.89 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 17.72 109.107 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -69.51 148.31 49.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 17.24 109.85 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.7 129.95 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 108.651 -0.87 . . . . 15.09 108.651 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.4 mp -56.53 127.9 33.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 15.83 109.125 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -69.97 -40.02 75.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 14.06 109.642 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.44 170.27 8.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.792 . . . . 12.57 109.725 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.74 150.45 46.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.362 -0.837 . . . . 12.83 109.535 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 12' ' ' ASP . 41.7 p-80 -60.02 -40.04 87.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 11.05 109.824 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' CG ' ' CD2' ' A' ' 11' ' ' HIS . 96.2 m-20 -101.31 100.81 11.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.306 -0.871 . . . . 10.08 109.569 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.197 -0.939 . . . . 9.12 109.188 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.12 146.58 24.54 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.392 -0.817 . . . . 5.44 109.391 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 60.7 t -60.91 -49.97 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 5.04 108.757 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 15' ' ' VAL . 79.0 m-20 -147.93 149.61 32.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.39 -0.819 . . . . 3.45 109.621 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.15 -6.53 14.58 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.351 -0.843 . . . . 2.03 109.774 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.54 -43.74 0.76 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.331 -0.856 . . . . 2.24 109.901 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -60.0 -40.96 90.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.979 -1.076 . . . . 0.8 109.863 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 59.8 tp -59.92 -50.06 75.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.969 . . . . 1.09 109.701 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 -41.51 69.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.171 -0.955 . . . . 0.27 109.656 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -60.25 -40.04 88.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.376 -0.827 . . . . 1.27 110.131 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.36 92.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.026 -1.046 . . . . 0.23 109.126 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 29.3 mtmm -69.85 -39.96 76.09 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.157 -0.964 . . . . 1.23 109.444 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.12 -48.85 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -0.946 . . . . 0.34 109.198 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.92 -45.56 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.78 109.669 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.23 68.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.388 -0.82 . . . . 0.2 109.934 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.402 HD21 ' HE2' ' A' ' 41' ' ' LYS . 27.6 t-20 -59.98 -48.68 80.69 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.3 -0.875 . . . . 0.22 110.962 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.466 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -69.93 -27.94 65.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.749 -1.219 . . . . 3.73 110.992 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.0 -43.13 95.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.707 -1.246 . . . . 1.39 109.72 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.76 -49.08 78.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.92 -1.112 . . . . 0.43 108.306 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.9 -40.08 87.57 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.427 -0.953 . . . . 1.14 108.427 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.94 -49.59 77.1 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.942 -0.762 . . . . 1.78 108.942 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.95 -30.04 67.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.34 -0.85 . . . . 1.25 109.352 179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.32 10.24 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.43 -1.068 . . . . 0.36 110.43 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.93 163.5 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.061 -1.258 . . . . 0.71 108.96 179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -60.02 159.6 9.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.095 -1.003 . . . . 1.56 109.645 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.41 -5.15 46.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 2.35 109.607 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.74 -41.18 92.48 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.869 -1.145 . . . . 1.51 110.2 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -66.56 -38.04 86.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.185 -0.947 . . . . 0.94 111.53 -178.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HE2' HD21 ' A' ' 28' ' ' ASN . 0.0 OUTLIER -60.19 -32.56 71.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.786 -1.196 . . . . 2.14 109.113 -178.334 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.95 -40.03 75.7 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.211 -0.931 . . . . 1.16 108.825 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.12 -39.96 88.05 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.635 -0.665 . . . . 0.63 109.504 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.88 -40.1 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.38 108.489 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.47 -19.05 65.29 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.645 -0.659 . . . . 1.46 109.31 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.41 -8.84 56.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.236 -0.915 . . . . 1.22 109.645 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 127.07 30.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.103 -0.998 . . . . 1.49 109.862 -179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -88.73 -19.61 25.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.361 -0.837 . . . . 2.97 109.486 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 52' ' ' GLY . 8.8 t -139.36 149.47 44.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.281 -0.887 . . . . 1.59 109.629 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.15 -23.86 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.485 -0.759 . . . . 0.47 110.588 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.53 -39.98 81.68 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.117 -1.068 . . . . 2.64 108.117 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' H ' HG23 ' A' ' 49' ' ' THR . . . -75.57 -28.27 61.71 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.92 -50.09 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.949 -1.324 . . . . 0.22 110.452 -178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -67.9 -36.63 80.53 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.699 -1.25 . . . . 1.73 109.997 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.67 79.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -0.953 . . . . 0.3 109.85 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.97 -50.38 73.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.292 -0.88 . . . . 0.46 108.99 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.68 -37.34 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.459 -0.776 . . . . 0.23 108.963 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -40.01 87.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.35 -0.94 . . . . 1.17 109.242 -179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.36 -39.97 74.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.325 -0.859 . . . . 1.04 108.868 178.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.39 -44.26 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.466 -0.771 . . . . 0.33 110.428 -179.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.934 -1.104 . . . . 1.27 109.693 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.7 21.25 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.078 -1.014 . . . . 0.48 109.699 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.58 -25.89 0.37 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.014 . . . . 1.15 110.153 -179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.62 112.96 3.53 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 1.62 108.847 -179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-N 120.125 1.08 . . . . 3.05 112.103 179.652 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.463 0.649 . . . . 22.77 109.306 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -153.44 171.89 17.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 20.19 109.196 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.74 146.34 4.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.171 -0.955 . . . . 18.43 109.358 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.0 pt -94.17 -166.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.439 -0.788 . . . . 17.72 109.978 -179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.95 -45.86 91.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.915 . . . . 17.24 109.636 -179.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.991 HG22 ' H ' ' A' ' 7' ' ' LEU . 8.4 p -95.96 -154.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 15.09 108.667 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.991 ' H ' HG22 ' A' ' 6' ' ' VAL . 46.6 tp -55.6 148.18 16.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.749 -1.219 . . . . 15.83 109.382 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.546 HD22 ' C ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -69.94 20.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.373 -0.829 . . . . 14.06 110.446 -179.2 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -55.33 141.45 35.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.105 -0.997 . . . . 12.57 109.243 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 11' ' ' HIS . 4.9 pp0? -67.4 -26.42 66.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 12.83 109.951 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 10' ' ' GLN . 85.2 t60 -59.7 136.1 57.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 11.05 109.648 -179.5 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 58.4 t0 -146.66 138.53 24.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.337 -0.852 . . . . 10.08 109.229 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 87.1 tt0 -139.97 131.52 27.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -0.903 . . . . 9.12 109.551 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.6 -160.02 0.2 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.415 -0.803 . . . . 5.44 108.856 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.41 112.09 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.021 -1.05 . . . . 5.04 109.023 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.4 -5.15 50.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.278 -0.889 . . . . 3.45 109.705 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.44 40.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 2.03 110.41 -179.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -101.27 -22.59 14.59 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.231 -0.918 . . . . 2.24 110.923 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -67.71 -43.16 80.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.839 -1.163 . . . . 0.8 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.99 -47.05 87.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.09 109.298 -179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.5 98.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.276 -0.89 . . . . 0.27 110.212 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -62.11 -40.0 94.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.98 . . . . 1.27 109.492 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.46 92.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.217 -0.927 . . . . 0.23 109.127 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.115 -0.991 . . . . 1.23 109.298 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.81 -47.57 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.06 -1.025 . . . . 0.34 109.045 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.11 -39.99 92.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.483 -0.761 . . . . 0.78 109.451 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.05 -36.12 59.16 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.986 -1.072 . . . . 0.2 109.101 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.419 HD21 ' HE3' ' A' ' 41' ' ' LYS . 28.1 t-20 -60.32 -45.37 93.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.491 -0.756 . . . . 0.22 111.234 -179.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -63.89 -33.23 75.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.848 -1.158 . . . . 3.73 110.335 -178.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 95.9 mt-10 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 1.39 109.644 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.52 -40.05 80.96 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.14 -1.059 . . . . 0.43 108.14 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 32' ' ' ASP . 48.6 t0 -59.99 -46.51 89.23 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.96 -0.564 . . . . 1.14 109.582 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.13 -40.05 86.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.78 109.554 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 5.9 m-30 -66.48 -39.91 89.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 1.25 109.155 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.7 29.44 18.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.154 -1.179 . . . . 0.36 110.154 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -70.23 -171.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.087 -1.243 . . . . 0.71 109.335 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 p -70.0 153.17 43.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.165 -0.959 . . . . 1.56 109.695 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.32 -20.46 63.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 2.35 109.643 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.06 -44.13 94.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.0 -1.062 . . . . 1.51 110.267 -179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.02 -39.76 86.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.233 -0.917 . . . . 0.94 111.17 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -63.18 -39.88 95.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.467 -1.396 . . . . 2.14 108.429 -179.313 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.9 -38.02 86.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.624 -0.88 . . . . 1.16 108.624 178.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.98 -39.77 86.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.485 -0.759 . . . . 0.63 109.186 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.96 -40.01 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 108.173 -1.047 . . . . 0.38 108.173 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -53.85 -30.01 43.64 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.547 -0.721 . . . . 1.46 109.897 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.61 11.44 22.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.139 -0.976 . . . . 1.22 110.708 -179.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.56 128.75 38.63 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.812 -1.18 . . . . 1.49 109.389 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -95.85 -25.67 15.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.181 -0.949 . . . . 2.97 110.561 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.6 p -136.06 150.42 49.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.146 -0.971 . . . . 1.59 109.536 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.67 -33.9 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.816 . . . . 0.47 110.291 -179.157 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.07 87.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.061 -1.024 . . . . 2.64 109.176 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.74 -26.1 74.79 Favored Glycine 0 N--CA 1.488 2.127 0 C-N-CA 119.883 -1.151 . . . . 0.41 110.304 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.14 -50.62 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 120.755 -1.438 . . . . 0.22 110.177 -178.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -73.88 -37.86 64.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.059 . . . . 1.73 111.115 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.12 -27.07 64.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.965 -1.084 . . . . 0.3 110.208 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.63 -41.28 84.15 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.36 -0.838 . . . . 0.46 109.704 -179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.79 -37.34 78.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 107.996 -1.113 . . . . 0.23 107.996 179.2 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.721 -0.792 . . . . 1.17 109.328 -179.277 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -70.06 -39.9 75.4 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.278 -0.889 . . . . 1.04 108.669 179.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.44 -45.3 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.492 -0.755 . . . . 0.33 110.546 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.92 -35.77 74.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.918 -1.114 . . . . 1.27 110.042 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.81 -12.96 60.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.102 -0.999 . . . . 0.48 109.513 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.3 4.85 41.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.882 . . . . 1.15 110.596 -179.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -144.63 149.53 43.89 Favored Pre-proline 0 N--CA 1.501 2.105 0 O-C-N 120.915 -1.116 . . . . 1.62 109.335 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.493 1.471 0 CA-C-O 117.941 -0.941 . . . . 3.05 112.019 179.679 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tmm? . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.195 0.521 . . . . 22.77 109.87 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -69.02 134.94 50.11 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.193 -0.942 . . . . 20.19 109.707 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 158.74 38.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 18.43 109.282 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 tp -170.0 -24.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.394 -0.816 . . . . 17.72 109.017 -179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -75.46 -12.74 60.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.549 -0.72 . . . . 17.24 110.091 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.0 -39.95 83.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.218 -0.926 . . . . 15.09 108.757 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.7 mt -115.6 147.24 40.99 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.163 -0.68 . . . . 15.83 109.163 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.47 170.09 14.67 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.52 -0.737 . . . . 14.06 109.292 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 98.75 0.08 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 12.57 109.544 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -79.68 153.94 28.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 12.83 109.177 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -68.16 121.85 17.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.126 -0.984 . . . . 11.05 109.334 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -115.8 -120.05 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.583 -0.698 . . . . 10.08 109.633 -179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.95 -42.3 93.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 9.12 109.553 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.89 171.29 4.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.372 -0.83 . . . . 5.44 109.276 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.86 152.48 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 5.04 108.836 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -75.88 109.04 9.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.11 -0.994 . . . . 3.45 109.472 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.67 9.44 21.01 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 109.023 -0.732 . . . . 2.03 109.023 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -60.01 -40.24 88.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.149 -0.969 . . . . 2.24 109.38 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 m -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.204 -0.935 . . . . 0.8 109.271 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -40.2 75.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.172 -0.955 . . . . 1.09 108.534 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.98 -50.77 72.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.25 -0.906 . . . . 0.27 109.453 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.03 -44.41 94.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.137 -0.977 . . . . 1.27 109.182 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.81 95.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.23 108.828 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . 98.2 mttt -69.89 -40.0 75.91 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.343 -0.848 . . . . 1.23 109.157 179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 60.0 t -66.7 -52.83 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.098 -1.001 . . . . 0.34 109.051 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 26' ' ' LEU . 86.9 mt -58.19 -39.97 80.34 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.545 -1.347 . . . . 0.78 108.166 179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.85 -59.97 2.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.254 -0.904 . . . . 0.2 109.352 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LYS . 59.2 t-20 -60.28 -41.69 93.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.328 -0.858 . . . . 0.22 110.776 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 29' ' ' ARG . 0.5 OUTLIER -60.02 -38.98 84.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.155 -0.965 . . . . 3.73 109.549 -179.133 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.03 -40.37 89.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.947 -1.096 . . . . 1.39 109.525 -179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.29 -39.57 94.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.146 -0.971 . . . . 0.43 108.555 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -39.67 86.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.421 -0.585 . . . . 1.14 109.421 -179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -59.53 -47.45 85.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 1.78 108.758 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -70.02 -30.89 68.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.069 -1.019 . . . . 1.25 109.506 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.51 19.8 36.92 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 109.913 -1.275 . . . . 0.36 109.913 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 37' ' ' SER . 1.9 t -54.73 170.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.187 -1.184 . . . . 0.71 109.368 179.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' H ' HG12 ' A' ' 36' ' ' VAL . 47.5 t -60.03 140.26 56.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 1.56 109.831 -179.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.05 -13.91 50.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.353 -0.842 . . . . 2.35 109.831 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.96 -49.34 78.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.945 . . . . 1.51 109.951 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -59.88 -39.73 86.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.99 -1.069 . . . . 0.94 109.497 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -60.28 -43.64 96.04 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.652 -1.24 . . . . 2.14 107.652 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -60.45 -39.96 89.45 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.993 -0.743 . . . . 1.16 108.993 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -39.67 86.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.414 -0.804 . . . . 0.63 109.038 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -60.03 -40.01 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.332 -0.988 . . . . 0.38 108.332 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -58.09 -32.41 68.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.584 -0.697 . . . . 1.46 109.834 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -89.09 2.6 53.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.143 -0.973 . . . . 1.22 110.266 -179.253 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.97 139.58 57.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.039 -1.038 . . . . 1.49 109.568 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -88.05 -25.08 23.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.429 -0.794 . . . . 2.97 111.002 -179.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 52' ' ' GLY . 14.7 t -150.88 172.03 16.3 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.626 -1.296 . . . . 1.59 110.831 -178.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' GLU . 16.3 m -67.49 -37.61 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.475 -0.765 . . . . 0.47 110.483 -179.469 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' VAL . 86.4 tt0 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.942 -1.099 . . . . 2.64 108.737 -179.121 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' H ' HG23 ' A' ' 49' ' ' THR . . . -66.52 -40.04 94.16 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.605 -1.798 . . . . 0.41 108.605 178.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.06 -49.93 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -1.024 . . . . 0.22 109.549 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.93 -45.2 93.6 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 1.73 110.919 -179.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.01 -23.62 63.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.082 -1.012 . . . . 0.3 110.28 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.95 -31.79 69.7 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.274 -0.891 . . . . 0.46 109.516 -179.582 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.6 mm -80.04 -34.9 15.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.404 -1.435 . . . . 0.23 107.688 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.81 -40.02 87.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.322 -0.861 . . . . 1.17 109.835 -179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.34 -36.68 71.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.042 -1.036 . . . . 1.04 108.535 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.97 -40.59 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.358 -0.838 . . . . 0.33 109.574 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.5 -39.97 85.17 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 1.27 109.547 179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.91 22.06 0.64 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.172 -0.955 . . . . 0.48 109.861 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.44 18.21 2.56 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.207 -0.933 . . . . 1.15 109.843 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.6 mt -69.99 149.84 96.32 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.092 -1.005 . . . . 1.62 108.96 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 CA-C-O 117.949 -0.938 . . . . 3.05 111.95 179.715 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.258 0.552 . . . . 22.77 109.547 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.26 -40.03 92.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 20.19 109.398 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.26 150.9 41.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.345 -0.847 . . . . 18.43 109.51 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.427 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -136.41 75.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.371 -0.831 . . . . 17.72 108.788 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -60.96 -48.03 83.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.244 -0.91 . . . . 17.24 109.284 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 m -149.24 151.14 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.415 -0.803 . . . . 15.09 109.308 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.7 pt? -151.02 -33.11 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.218 -0.926 . . . . 15.83 109.591 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' HIS . 25.4 m120 -141.28 119.82 12.4 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.135 -0.978 . . . . 14.06 109.259 179.324 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.8 79.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.825 . . . . 12.57 110.154 -179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 15.8 pt20 -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 12.83 110.141 -179.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 97.4 m-70 -156.19 172.99 17.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.077 -1.015 . . . . 11.05 109.09 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -100.02 3.5 44.23 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.294 -0.879 . . . . 10.08 110.194 -179.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -146.5 10.31 1.09 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.858 -1.151 . . . . 9.12 110.924 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 87.55 6.77 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.662 -1.274 . . . . 5.44 109.698 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.83 -40.07 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 5.04 108.991 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.57 161.25 38.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 3.45 109.369 179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.71 -9.64 10.16 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.517 -0.739 . . . . 2.03 109.311 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.98 -20.66 63.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -0.877 . . . . 2.24 109.825 -179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.7 m -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.8 110.076 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.04 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.974 -1.079 . . . . 1.09 109.444 -179.725 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.99 75.35 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.102 -0.999 . . . . 0.27 109.904 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.21 -40.01 96.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.182 -0.949 . . . . 1.27 109.657 -179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.9 95.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.23 109.396 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.64 -40.04 76.75 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.164 -0.96 . . . . 1.23 108.678 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.3 -49.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.34 109.513 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.08 -42.12 93.92 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.117 -0.989 . . . . 0.78 109.158 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.2 86.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.2 109.496 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.446 HD21 ' CE ' ' A' ' 41' ' ' LYS . 21.4 t-20 -60.2 -40.41 89.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.287 -0.883 . . . . 0.22 109.691 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -65.99 -32.03 73.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.286 -0.884 . . . . 3.73 110.349 -179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -40.91 92.19 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.609 -1.307 . . . . 1.39 110.651 -178.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.84 -35.08 74.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.058 -1.026 . . . . 0.43 109.169 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -44.13 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.683 -0.636 . . . . 1.14 109.615 -179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.02 -49.58 77.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.776 -1.202 . . . . 1.78 109.695 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -70.0 -39.86 75.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.267 -0.896 . . . . 1.25 109.541 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 30.72 29.01 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.847 -1.301 . . . . 0.36 109.847 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 36' ' ' VAL . 11.8 m -68.41 -169.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -1.16 . . . . 0.71 109.426 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 79.6 p -69.99 150.04 47.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 1.56 109.82 -179.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -73.33 -16.48 61.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 2.35 109.801 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -59.92 -44.4 94.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.971 -1.08 . . . . 1.51 110.525 -179.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 62.6 m-85 -60.0 -25.82 65.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.09 -1.006 . . . . 0.94 111.082 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' CE ' HD21 ' A' ' 28' ' ' ASN . 10.4 ptmt -68.45 -38.37 81.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.539 -1.351 . . . . 2.14 108.702 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -67.73 -40.01 84.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.392 -0.817 . . . . 1.16 109.349 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -39.95 87.56 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.233 -0.917 . . . . 0.63 109.557 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -41.38 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.928 -1.107 . . . . 0.38 108.784 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.04 -35.56 75.38 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.616 -0.883 . . . . 1.46 108.616 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.04 -20.03 63.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.38 -0.825 . . . . 1.22 109.855 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.37 130.35 46.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.057 -1.027 . . . . 1.49 109.472 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.91 -1.05 38.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.307 -0.871 . . . . 2.97 109.897 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -140.4 158.4 44.07 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.208 -0.933 . . . . 1.59 110.1 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.04 -35.04 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.488 -0.758 . . . . 0.47 109.723 179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.177 -0.952 . . . . 2.64 109.076 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.63 -39.97 97.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.49 -1.444 . . . . 0.41 109.49 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.32 -49.97 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.167 . . . . 0.22 109.533 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.45 -40.01 77.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.397 -0.814 . . . . 1.73 110.009 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -62.02 -14.77 38.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.893 . . . . 0.3 110.347 -179.185 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -84.5 -70.52 0.57 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.845 -1.159 . . . . 0.46 110.494 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 57' ' ' ILE . 1.9 mp -43.98 -43.41 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.646 -0.659 . . . . 0.23 110.463 -177.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 35.0 p-10 -60.04 -38.66 83.41 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 118.17 -1.412 . . . . 1.17 108.078 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 74.9 mm-40 -70.13 -39.96 75.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.183 -0.948 . . . . 1.04 109.5 179.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' N ' HD13 ' A' ' 60' ' ' ILE . 4.1 mm -69.97 -51.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.067 -1.021 . . . . 0.33 108.945 -179.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 79.7 mt -70.01 -29.92 67.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.655 -0.653 . . . . 1.27 110.856 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' ASP . . . -59.99 -39.3 85.29 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.7 -1.25 . . . . 0.48 109.337 -179.724 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.04 87.84 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.212 -0.93 . . . . 1.15 109.592 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 mt -72.79 148.45 89.74 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.158 -0.964 . . . . 1.62 108.628 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 117.974 -0.928 . . . . 3.05 112.223 179.765 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 22.77 109.462 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.94 -47.07 87.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 20.19 109.604 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 101.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.86 . . . . 18.43 108.973 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.5 mp -60.92 -49.98 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.116 -0.99 . . . . 17.72 109.378 -179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.484 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 58.8 t80 -172.41 -11.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 17.24 109.462 179.776 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.46 119.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.097 -1.002 . . . . 15.09 109.703 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.1 tp -120.43 -44.62 2.46 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.57 -0.707 . . . . 15.83 109.185 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.85 155.75 32.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 14.06 109.519 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.76 130.04 50.66 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.536 -0.728 . . . . 12.57 109.2 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -90.03 0.04 57.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.256 -0.903 . . . . 12.83 109.344 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.313 -0.867 . . . . 11.05 109.446 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 13' ' ' GLU . 53.3 t0 -59.27 138.11 57.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -0.958 . . . . 10.08 109.299 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 75.1 mm-40 -119.14 143.78 47.01 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.635 -0.665 . . . . 9.12 109.374 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.86 157.95 44.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.527 -0.733 . . . . 5.44 109.397 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -110.11 127.83 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.594 -0.691 . . . . 5.04 109.348 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 56.2 t0 -123.42 131.11 53.55 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.58 -0.7 . . . . 3.45 109.562 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' OD1' ' A' ' 16' ' ' ASP . . . -173.2 -75.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.03 109.154 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -74.39 -11.04 60.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.332 -0.855 . . . . 2.24 109.406 179.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -60.0 -37.25 79.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.19 -0.944 . . . . 0.8 109.627 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.08 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.992 -1.068 . . . . 1.09 109.177 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.9 75.87 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.16 -0.963 . . . . 0.27 109.822 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.27 -40.36 93.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.184 -0.947 . . . . 1.27 109.403 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.69 89.32 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 0.23 109.556 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 47' ' ' ALA . 59.7 mttm -68.18 -40.07 82.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.146 -0.971 . . . . 1.23 108.854 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -49.92 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.34 109.971 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.22 -40.93 86.44 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.78 110.181 -179.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.32 99.0 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.065 -1.022 . . . . 0.2 109.172 -179.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.621 -0.674 . . . . 0.22 110.182 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.0 mtt-85 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.109 -0.995 . . . . 3.73 110.892 -179.077 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -59.98 -42.68 94.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.773 -1.205 . . . . 1.39 109.883 -179.164 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.1 -29.83 68.85 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.287 -0.883 . . . . 0.43 108.994 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.08 -43.15 95.72 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.753 -0.592 . . . . 1.14 109.786 -179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -69.92 -39.19 76.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.961 -1.087 . . . . 1.78 109.402 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.02 -39.15 76.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 1.25 109.845 -179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.44 29.75 39.12 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.032 -1.08 . . . . 0.36 110.616 179.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.33 -171.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.93 -1.335 . . . . 0.71 109.579 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 40' ' ' TYR . 64.5 p -69.97 152.27 44.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.847 . . . . 1.56 109.732 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.22 -19.53 61.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.407 -0.808 . . . . 2.35 109.969 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -60.01 -48.16 82.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.179 -0.951 . . . . 1.51 110.3 -179.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 58.8 m-85 -60.03 -39.05 84.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.05 -1.031 . . . . 0.94 110.397 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.2 -40.04 94.78 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.971 -1.081 . . . . 2.14 108.935 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.5 -40.01 81.04 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.55 -0.719 . . . . 1.16 109.404 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.04 -40.82 90.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.63 109.706 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.16 -40.0 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 0.38 108.97 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -62.93 -18.83 63.6 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.678 -0.86 . . . . 1.46 108.678 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -99.74 0.0 40.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.457 -0.777 . . . . 1.22 109.783 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . . . -73.49 149.06 42.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 1.49 109.305 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 6.6 6.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.466 -0.771 . . . . 2.97 109.795 -179.648 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.0 p -137.44 148.12 45.88 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.153 -0.967 . . . . 1.59 109.949 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.06 -40.87 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.47 109.394 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -40.19 88.51 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.926 -1.138 . . . . 2.64 107.926 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.57 -39.35 95.47 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.596 -1.801 . . . . 0.41 108.596 178.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.53 -50.02 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -1.112 . . . . 0.22 109.606 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 1.73 109.889 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.76 70.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.3 110.471 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.8 tp -70.01 -59.56 2.84 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.998 -1.064 . . . . 0.46 109.274 -179.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.5 mm -44.75 -36.53 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.899 -0.778 . . . . 0.23 108.899 -179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.04 -40.0 94.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.139 -1.06 . . . . 1.17 108.139 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' LEU . 76.3 mm-40 -71.19 -40.03 71.45 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.526 -0.734 . . . . 1.04 109.658 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.0 mm -69.19 -51.71 40.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 C-N-CA 119.48 -0.888 . . . . 0.33 109.369 -178.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 61' ' ' LEU . 79.5 mt -59.91 -40.08 87.6 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 1.27 109.357 179.657 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.95 -20.36 15.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.48 109.306 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.06 -4.06 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 1.15 109.51 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.5 mt -130.08 77.18 76.92 Favored Pre-proline 0 N--CA 1.5 2.052 0 O-C-N 121.47 -0.769 . . . . 1.62 109.248 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo . . . . . 0 N--CA 1.492 1.403 0 C-N-CA 120.977 1.118 . . . . 3.05 112.153 -179.869 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.015 -0.735 . . . . 22.77 109.015 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -137.98 44.5 2.17 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.379 -0.826 . . . . 20.19 109.196 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.17 140.77 58.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.211 -0.931 . . . . 18.43 109.623 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.426 HG13 ' H ' ' A' ' 6' ' ' VAL . 36.7 pt -137.07 -141.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 17.72 109.436 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -60.02 -34.25 73.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.057 -1.027 . . . . 17.24 109.273 -179.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' H ' HG13 ' A' ' 4' ' ' ILE . 33.1 m -129.12 159.69 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.891 -0.781 . . . . 15.09 108.891 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.5 pt? -73.22 137.77 45.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.126 -0.984 . . . . 15.83 109.849 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -80.07 135.26 36.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.137 -0.977 . . . . 14.06 109.103 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.25 14.11 0.05 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 12.57 109.542 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.56 139.94 57.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.273 -0.892 . . . . 12.83 109.324 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 14.6 t-160 -87.12 110.2 19.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 11.05 109.383 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 11' ' ' HIS . 95.9 m-20 -139.4 150.02 44.79 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.532 -0.73 . . . . 10.08 109.473 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -154.1 159.53 41.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 9.12 109.355 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.86 99.6 12.43 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.175 -0.953 . . . . 5.44 109.169 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.0 p -146.23 142.79 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.284 -0.885 . . . . 5.04 109.432 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -84.18 110.03 18.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 3.45 109.093 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.87 71.63 8.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.342 -0.849 . . . . 2.03 109.442 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -159.9 -51.66 0.05 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.319 -0.863 . . . . 2.24 109.331 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -61.12 -52.31 65.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.8 109.47 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.0 mm? -60.34 -48.55 81.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -0.852 . . . . 1.09 109.226 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -63.62 -50.22 70.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.35 -0.844 . . . . 0.27 110.14 -179.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.06 -41.33 92.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.052 -1.03 . . . . 1.27 109.339 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.53 77.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.295 -0.878 . . . . 0.23 109.113 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -69.6 -39.97 76.94 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.439 -0.788 . . . . 1.23 109.821 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' ALA . 53.8 t -62.98 -47.39 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.972 -1.08 . . . . 0.34 109.134 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.93 -40.02 96.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.098 -1.001 . . . . 0.78 109.443 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.59 80.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.046 -1.034 . . . . 0.2 109.923 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -60.06 -40.24 88.77 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.126 -0.983 . . . . 0.22 109.823 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -62.98 -38.28 90.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.224 -0.923 . . . . 3.73 110.211 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.495 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 75.0 mm-40 -59.95 -40.04 87.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 1.39 109.875 -179.33 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.56 -43.34 89.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.201 -0.937 . . . . 0.43 108.592 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.98 -42.25 93.76 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 1.14 109.576 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.686 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 2.4 ttmp? -59.97 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.897 . . . . 1.78 109.394 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -70.05 -30.03 67.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.874 . . . . 1.25 109.613 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.38 27.83 19.06 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.071 -1.212 . . . . 0.36 110.071 179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 37' ' ' SER . 2.9 t -60.08 160.0 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.085 -1.244 . . . . 0.71 108.492 179.371 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 38' ' ' ASP . 83.0 p -45.02 -97.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.184 -0.948 . . . . 1.56 110.824 -178.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.529 ' N ' ' OG ' ' A' ' 37' ' ' SER . 9.8 t70 -171.49 -47.02 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.913 -1.117 . . . . 2.35 110.448 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 40' ' ' TYR . 2.2 p90 -50.58 -16.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.689 -1.257 . . . . 1.51 109.492 -179.067 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 77.9 m-85 -70.03 -29.72 66.84 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.021 -1.049 . . . . 0.94 109.418 179.063 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -68.7 -40.01 80.23 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.071 -1.018 . . . . 2.14 110.003 -178.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' TYR . 2.9 p-10 -72.86 -24.42 60.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.735 -1.228 . . . . 1.16 108.884 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 46' ' ' ASN . 61.6 tp -62.77 -40.03 96.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.328 -0.99 . . . . 0.63 108.328 179.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.4 -40.01 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.461 -0.774 . . . . 0.38 109.517 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -52.18 -29.97 24.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 1.46 110.995 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.653 HD21 HD12 ' A' ' 43' ' ' LEU . 27.8 p30 -94.23 16.38 15.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.927 -1.108 . . . . 1.22 110.777 -178.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.44 130.48 46.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 1.49 109.097 179.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.55 -21.22 19.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.105 -0.997 . . . . 2.97 110.628 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 p -139.94 149.97 43.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.968 -1.083 . . . . 1.59 109.984 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.91 -40.07 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.367 -0.833 . . . . 0.47 109.395 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.0 -35.62 75.43 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.086 -1.079 . . . . 2.64 108.086 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.19 -30.35 77.62 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.909 -1.676 . . . . 0.41 108.909 179.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.21 -48.7 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.084 -1.245 . . . . 0.22 109.466 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -67.72 -39.99 84.26 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.939 -1.101 . . . . 1.73 110.319 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.01 94.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.246 -0.908 . . . . 0.3 110.035 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.98 -40.17 75.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.392 -0.817 . . . . 0.46 110.123 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.76 -39.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.322 -1.486 . . . . 0.23 107.746 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -39.99 90.61 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.649 -0.657 . . . . 1.17 110.341 -179.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.59 -38.4 70.89 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.772 -1.205 . . . . 1.04 108.21 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.49 -43.61 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.478 -0.764 . . . . 0.33 109.653 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.93 -32.42 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.109 -0.994 . . . . 1.27 108.988 179.089 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.1 93.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.191 -0.943 . . . . 0.48 109.094 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.03 75.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 1.15 109.569 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 150.01 95.33 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.26 -0.9 . . . . 1.62 108.777 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 117.931 -0.945 . . . . 3.05 111.924 179.847 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.205 -0.665 . . . . 22.77 109.205 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 4' ' ' ILE . 35.5 ttpt -149.23 158.96 44.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.794 . . . . 20.19 109.125 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.83 60.8 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 18.43 109.649 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 2' ' ' LYS . 18.6 tt -130.01 130.05 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.64 -0.874 . . . . 17.72 108.64 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -107.3 6.13 28.18 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.411 -0.806 . . . . 17.24 110.079 -179.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.41 149.68 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.48 -0.762 . . . . 15.09 109.637 -179.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.68 -108.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.143 -0.973 . . . . 15.83 109.332 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -101.07 59.9 0.92 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -0.898 . . . . 14.06 109.385 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -27.04 68.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.167 -0.958 . . . . 12.57 109.523 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -85.64 41.83 0.93 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.305 -0.872 . . . . 12.83 109.383 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.0 -43.22 95.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.142 -0.974 . . . . 11.05 108.811 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -93.05 87.63 5.81 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.267 -0.896 . . . . 10.08 109.267 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -70.66 145.38 50.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.119 . . . . 9.12 109.82 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.75 170.0 8.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.593 -0.692 . . . . 5.44 109.911 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 135.28 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.374 -0.829 . . . . 5.04 109.773 -179.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.92 138.22 57.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 3.45 109.268 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 2.03 110.103 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.76 -40.05 91.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 2.24 110.158 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.0 -40.28 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.964 -1.085 . . . . 0.8 109.841 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.39 -47.72 78.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 1.09 109.578 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -60.58 -49.59 76.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.206 -0.934 . . . . 0.27 110.088 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.03 -45.69 91.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.993 -1.067 . . . . 1.27 109.943 -179.307 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.68 95.46 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.12 -0.988 . . . . 0.23 108.839 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -69.97 -39.97 75.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.439 -0.788 . . . . 1.23 109.37 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' ALA . 54.4 t -66.9 -45.74 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.34 109.736 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.99 -45.94 91.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.052 . . . . 0.78 109.539 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.71 68.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.902 . . . . 0.2 109.99 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.98 -49.19 78.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.22 110.606 -178.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 HH11 ' HB3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.07 -28.24 65.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.764 -1.21 . . . . 3.73 111.279 -179.048 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.07 -49.57 77.13 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.698 -1.251 . . . . 1.39 110.345 -179.344 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.64 -40.07 95.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.07 -1.019 . . . . 0.43 108.679 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.08 -40.83 90.94 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -48.95 79.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 1.78 109.583 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.09 -30.0 67.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 1.25 109.684 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.45 26.1 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.512 -1.035 . . . . 0.36 110.512 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 36' ' ' VAL . 2.6 t -62.83 164.61 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.972 -1.31 . . . . 0.71 108.893 179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -57.28 148.35 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 1.56 109.662 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -70.02 -11.94 61.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -0.878 . . . . 2.35 109.56 -179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.08 -44.27 94.88 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.435 -0.791 . . . . 1.51 109.972 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CD1' HD12 ' A' ' 60' ' ' ILE . 97.5 m-85 -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.94 110.649 -178.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.24 -41.28 99.06 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.8 -1.187 . . . . 2.14 107.973 179.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.4 -42.64 96.36 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.779 -0.823 . . . . 1.16 108.779 179.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.97 -40.28 92.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.63 109.221 179.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.96 -39.98 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.514 -0.921 . . . . 0.38 108.514 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -53.5 -29.06 34.37 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.508 -0.745 . . . . 1.46 109.685 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -102.01 19.98 17.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.334 -0.854 . . . . 1.22 110.429 -179.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 134.3 56.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.769 -1.207 . . . . 1.49 108.993 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -69.19 -39.92 78.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.97 110.307 -179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -148.86 163.61 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.958 -1.089 . . . . 1.59 110.059 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.86 -32.19 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.355 -0.84 . . . . 0.47 109.457 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.01 -42.38 94.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.257 -0.902 . . . . 2.64 108.983 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.85 -31.49 70.06 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 109.487 -1.445 . . . . 0.41 109.487 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.33 -49.97 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -1.169 . . . . 0.22 109.412 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.08 -39.99 78.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.424 -0.797 . . . . 1.73 110.526 -179.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -25.88 65.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.3 110.703 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLU . 31.9 tp -69.37 -51.74 33.78 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.921 -1.112 . . . . 0.46 108.947 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.7 mm -47.08 -35.2 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.486 -0.759 . . . . 0.23 109.056 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.09 -40.03 94.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.848 -1.167 . . . . 1.17 107.848 179.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' LEU . 75.1 mm-40 -70.46 -40.01 73.95 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.617 -0.677 . . . . 1.04 109.636 179.061 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 40' ' ' TYR . 4.5 mm -69.53 -48.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.441 -0.904 . . . . 0.33 109.4 -178.661 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 61' ' ' LEU . 85.3 mt -60.2 -39.99 88.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.112 -0.992 . . . . 1.27 109.283 179.46 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.46 -10.04 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.48 109.49 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.43 -56.07 11.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.15 109.453 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.03 150.02 96.25 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 1.62 109.179 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo . . . . . 0 N--CA 1.492 1.432 0 CA-C-O 118.0 -0.917 . . . . 3.05 111.927 179.651 . . . . . . . . 0 0 . 1 stop_ save_