data_2nde_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 2nde _Structure_validation_residue.Date_analyzed 2017-09-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 113.88 0.312 . . . . 75.33 113.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 6' ' ' LEU . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 74.25 110.959 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.13 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.13 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 74.35 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 73.35 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.759 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.01 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 72.21 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.14 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.759 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.4 t-160 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.13 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 62.24 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 75.15 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.1 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.3 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.214 0 CA-C-O 120.764 0.091 . . . . 71.41 113.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.34 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.03 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 74.33 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 70.21 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.23 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.42 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 74.14 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.44 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 73.44 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 75.52 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.33 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.978 0.21 . . . . 74.12 112.618 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 75.51 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 53.24 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 71.43 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 73.41 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.02 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.12 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.52 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.52 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.43 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.24 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 75.54 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 74.2 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.13 0 CA-C-O 120.701 0.056 . . . . 63.54 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.51 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.12 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.14 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.35 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 72.44 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.692 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.43 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.41 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 74.43 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 75.12 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 74.52 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.15 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 72.54 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.52 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 113.773 0.269 . . . . 43.5 113.773 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 73.23 110.997 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 72.02 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.23 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 75.21 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 74.44 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 75.14 114.524 -172.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 75.34 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.11 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 17.8 t-160 -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 74.3 111.115 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 72.12 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 74.52 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 75.04 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.32 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 N-CA-C 113.606 0.202 . . . . 70.4 113.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 74.54 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.43 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 71.33 111.081 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.3 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.707 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.22 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 73.14 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.707 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 75.43 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.688 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 73.05 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 74.33 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 75.2 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.31 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.22 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.277 0 N-CA-C 113.97 0.348 . . . . 74.33 113.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.14 112.633 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 75.04 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.12 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 73.01 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.42 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.32 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.52 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.12 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.21 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.1 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.2 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.41 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.319 0 CA-C-O 120.742 0.079 . . . . 71.43 113.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.41 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.24 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.42 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.3 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG23 ' HB ' ' A' ' 13' ' ' ILE . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 74.01 109.614 178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.32 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.45 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.403 ' HB ' HG23 ' A' ' 10' ' ' ILE . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 70.04 110.372 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 72.51 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.33 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.44 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 113.532 0.173 . . . . 73.02 113.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.41 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 74.22 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 72.54 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.12 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.702 HG21 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.25 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.32 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.13 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.702 ' HB ' HG21 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.03 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.31 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 75.42 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 71.02 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 73.34 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.13 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.645 -0.182 . . . . 72.53 112.645 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.42 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.44 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 75.34 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 70.24 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.04 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.33 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.4 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 t-160 -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.33 110.474 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 75.43 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.12 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.43 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.53 111.892 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.819 0.343 . . . . 75.45 111.319 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.22 -125.97 1.06 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.072 -0.811 . . . . 65.42 111.072 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.656 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.2 pt? -97.19 164.97 12.27 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.846 -0.427 . . . . 65.15 109.846 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 24.3 mmt180 -85.43 3.19 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.318 -0.401 . . . . 73.22 110.329 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.9 -58.75 1.77 Allowed Glycine 0 CA--C 1.517 0.2 0 CA-C-N 115.493 -0.776 . . . . 75.33 113.88 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 6' ' ' LEU . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 74.25 110.959 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.13 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.13 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 74.35 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 73.35 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.759 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.01 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 72.21 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.14 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.759 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.4 t-160 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.13 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 62.24 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 75.15 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.1 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.3 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.562 ' H2 ' HD11 ' A' ' 1' ' ' ILE . 4.0 mp . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.743 -0.466 . . . . 74.34 109.743 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.95 -147.85 18.31 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.229 -0.748 . . . . 54.42 111.229 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.4 tp -98.23 161.7 13.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.861 -0.792 . . . . 73.33 108.861 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.91 -2.38 20.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.982 0.364 . . . . 75.11 111.982 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.28 -56.39 2.82 Favored Glycine 0 CA--C 1.517 0.214 0 O-C-N 123.203 0.314 . . . . 71.41 113.246 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.34 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.03 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 74.33 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 70.21 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.23 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.42 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 74.14 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.44 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 73.44 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 75.52 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.33 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.923 0.392 . . . . 73.41 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 -171.13 33.92 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.066 -0.515 . . . . 55.33 113.385 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.573 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 42.0 tp -100.61 160.37 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.566 -0.531 . . . . 74.13 109.566 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 12.2 mmp_? -76.47 -14.35 60.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.649 0.262 . . . . 74.52 110.641 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.63 -56.99 2.1 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.899 -0.591 . . . . 74.12 112.618 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 75.51 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 53.24 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 71.43 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 73.41 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.02 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.12 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.52 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.52 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.43 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.24 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 75.54 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 74.2 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.983 -0.377 . . . . 75.24 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.15 120.57 4.79 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.77 -0.728 . . . . 71.31 111.99 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.629 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 50.6 tp -61.19 136.17 57.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.743 0.306 . . . . 72.22 110.769 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -74.95 1.35 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 75.22 111.888 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.629 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 76.36 -56.69 3.29 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 121.42 -0.419 . . . . 63.54 113.075 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.51 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.12 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.14 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.35 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 72.44 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.692 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.43 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.41 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 74.43 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 75.12 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 74.52 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.15 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 72.54 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.52 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.495 0.188 . . . . 75.24 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.26 -83.99 0.69 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.746 -0.74 . . . . 54.42 112.569 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.796 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 46.3 tp -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 74.4 110.577 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -77.77 -4.87 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 74.32 110.767 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.796 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 71.88 -58.25 1.37 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.701 -0.681 . . . . 43.5 113.773 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 73.23 110.997 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 72.02 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.23 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 75.21 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 74.44 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 75.14 114.524 -172.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 75.34 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.11 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 17.8 t-160 -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 74.3 111.115 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 72.12 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 74.52 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 75.04 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.32 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.221 -0.659 . . . . 74.32 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.38 47.79 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.592 -0.813 . . . . 71.43 112.249 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.799 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 54.2 tp -75.76 142.0 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 75.44 110.218 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 19.2 mmt180 -83.01 0.15 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.34 -0.391 . . . . 72.41 111.206 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.799 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 74.63 -57.31 2.54 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 115.987 -0.551 . . . . 70.4 113.606 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 74.54 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.688 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.43 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HD3' ' HB3' ' A' ' 4' ' ' ARG . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 71.33 111.081 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.3 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.707 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.22 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.44 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 73.14 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.707 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 75.43 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.688 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 73.05 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 74.33 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 75.2 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.31 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.22 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.248 0.547 . . . . 73.12 111.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.67 5.22 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.752 -0.658 . . . . 75.0 113.492 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.25 158.44 31.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 75.12 112.082 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -98.83 17.43 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 73.41 110.397 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.01 -57.42 4.84 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.166 -0.924 . . . . 74.33 113.97 172.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.14 112.633 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 75.04 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.12 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 73.01 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.42 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.32 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.52 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.12 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.21 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.1 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.2 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.41 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.43 ' H2 ' HD12 ' A' ' 1' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.829 0.347 . . . . 75.33 110.386 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 169.42 45.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.879 -0.677 . . . . 73.34 112.969 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -76.37 179.95 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 74.41 110.464 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.585 ' HE ' ' HA ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -99.96 0.06 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 73.01 110.422 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.453 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.65 -58.01 2.1 Favored Glycine 0 CA--C 1.519 0.319 0 CA-C-N 115.637 -0.71 . . . . 71.43 113.209 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.41 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.24 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.42 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.3 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG23 ' HB ' ' A' ' 13' ' ' ILE . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 74.01 109.614 178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.32 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.45 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.403 ' HB ' HG23 ' A' ' 10' ' ' ILE . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 70.04 110.372 -177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 72.51 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.33 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.44 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.405 0.145 . . . . 73.14 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.09 -164.96 24.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.548 -0.834 . . . . 64.0 112.3 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.702 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 2.6 pt? -76.29 178.49 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 71.33 110.577 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.2 14.71 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.787 0.327 . . . . 75.13 111.184 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.702 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.8 -57.14 3.88 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.952 -0.567 . . . . 73.02 113.532 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.41 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 74.22 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 72.54 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.648 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.12 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.702 HG21 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.25 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.32 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.13 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.702 ' HB ' HG21 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.03 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.31 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 75.42 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 71.02 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 73.34 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.13 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 110.273 -0.269 . . . . 75.31 110.273 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.23 -145.34 4.13 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.66 -0.576 . . . . 73.01 111.66 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.674 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 49.4 tp -85.07 135.95 33.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.033 -0.358 . . . . 65.35 110.033 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -73.4 -12.19 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 73.44 110.907 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.674 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.43 -56.38 3.72 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.017 -0.538 . . . . 72.53 112.645 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.42 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.44 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 75.34 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 70.24 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.04 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.33 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.4 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 t-160 -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.33 110.474 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 75.43 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.12 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.43 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.53 111.892 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 113.88 0.312 . . . . 75.329999999999998 113.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.129999999999995 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.129999999999995 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 61.439999999999998 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 71.420000000000002 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.010000000000005 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 64.430000000000007 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.140000000000001 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.799 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.8 t-80 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.129999999999995 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 55.420000000000002 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 74.140000000000001 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.099999999999994 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.299999999999997 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.214 0 CA-C-O 120.764 0.091 . . . . 71.409999999999997 113.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.340000000000003 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.030000000000001 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 73.219999999999999 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 64.219999999999999 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.230000000000004 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.25 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.569 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 71.310000000000002 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.439999999999998 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 64.109999999999999 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 72.109999999999999 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.010000000000005 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.978 0.21 . . . . 62.109999999999999 112.618 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 62.240000000000002 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 43.229999999999997 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 64.409999999999997 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 71.120000000000005 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG22 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.019999999999996 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.0 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.519999999999996 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.310000000000002 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.430000000000007 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 63.329999999999998 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 64.409999999999997 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.13 0 CA-C-O 120.701 0.056 . . . . 63.539999999999999 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.340000000000003 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.129999999999995 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.340000000000003 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 62.340000000000003 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.746 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.430000000000007 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.409999999999997 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 72.409999999999997 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 72.510000000000005 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.150000000000006 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 51.539999999999999 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.519999999999996 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 113.773 0.269 . . . . 43.5 113.773 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 45.509999999999998 110.997 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 62.119999999999997 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.230000000000004 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 74.150000000000006 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 65.010000000000005 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 63.119999999999997 114.524 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 71.340000000000003 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 64.5 111.115 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 55.420000000000002 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 72.150000000000006 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.319999999999993 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 N-CA-C 113.606 0.202 . . . . 70.400000000000006 113.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 64.209999999999994 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.430000000000007 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 63.039999999999999 111.081 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.299999999999997 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.219999999999999 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.439999999999998 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 63.039999999999999 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.719 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 72.140000000000001 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 71.420000000000002 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 71.329999999999998 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 72.319999999999993 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.310000000000002 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.219999999999999 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.277 0 N-CA-C 113.97 0.348 . . . . 24.350000000000001 113.97 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.140000000000001 112.633 -173.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 54.420000000000002 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.120000000000005 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 71.239999999999995 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.420000000000002 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.319999999999993 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.519999999999996 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.120000000000005 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.653 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.209999999999994 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 54.329999999999998 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.099999999999994 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.200000000000003 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.409999999999997 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.319 0 CA-C-O 120.742 0.079 . . . . 71.430000000000007 113.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.240000000000002 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.420000000000002 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.299999999999997 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 60.340000000000003 109.614 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.109999999999999 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.450000000000003 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 54.530000000000001 110.372 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 70.409999999999997 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.329999999999998 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.439999999999998 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 113.532 0.173 . . . . 73.019999999999996 113.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.409999999999997 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 34.539999999999999 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 61.149999999999999 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.68 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.040000000000006 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.69 HG22 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.019999999999996 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.319999999999993 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.129999999999995 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.69 ' HB ' HG22 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.030000000000001 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.310000000000002 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 74.030000000000001 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 44.310000000000002 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 62.030000000000001 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.129999999999995 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.645 -0.182 . . . . 72.530000000000001 112.645 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.420000000000002 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.439999999999998 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 74.239999999999995 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 62.200000000000003 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.039999999999999 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.400000000000006 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.239999999999995 110.474 178.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 64.150000000000006 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.040000000000006 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.430000000000007 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.530000000000001 111.892 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.819 0.343 . . . . 75.450000000000003 111.319 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.22 -125.97 1.06 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.072 -0.811 . . . . 63.43 111.072 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.763 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.2 pt? -97.19 164.97 12.27 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.846 -0.427 . . . . 63.020000000000003 109.846 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 24.3 mmt180 -85.43 3.19 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.318 -0.401 . . . . 73.219999999999999 110.329 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.9 -58.75 1.77 Allowed Glycine 0 CA--C 1.517 0.2 0 CA-C-N 115.493 -0.776 . . . . 75.329999999999998 113.88 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.129999999999995 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.129999999999995 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 61.439999999999998 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 71.420000000000002 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.010000000000005 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 64.430000000000007 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.140000000000001 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.799 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.8 t-80 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.129999999999995 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 55.420000000000002 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 74.140000000000001 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.099999999999994 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.299999999999997 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.743 -0.466 . . . . 74.340000000000003 109.743 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.95 -147.85 18.31 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.229 -0.748 . . . . 54.420000000000002 111.229 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.4 tp -98.23 161.7 13.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.861 -0.792 . . . . 73.329999999999998 108.861 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.91 -2.38 20.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.982 0.364 . . . . 64.209999999999994 111.982 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.28 -56.39 2.82 Favored Glycine 0 CA--C 1.517 0.214 0 O-C-N 123.203 0.314 . . . . 71.409999999999997 113.246 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.340000000000003 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.030000000000001 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 73.219999999999999 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 64.219999999999999 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.230000000000004 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.25 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.569 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 71.310000000000002 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.439999999999998 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 64.109999999999999 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 72.109999999999999 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.010000000000005 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.923 0.392 . . . . 44.219999999999999 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 -171.13 33.92 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.066 -0.515 . . . . 55.329999999999998 113.385 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.627 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 42.0 tp -100.61 160.37 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.566 -0.531 . . . . 74.129999999999995 109.566 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 12.2 mmp_? -76.47 -14.35 60.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.649 0.262 . . . . 74.519999999999996 110.641 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.627 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.63 -56.99 2.1 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.899 -0.591 . . . . 62.109999999999999 112.618 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 62.240000000000002 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 43.229999999999997 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 64.409999999999997 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 71.120000000000005 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG22 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.019999999999996 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.0 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.519999999999996 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.310000000000002 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.430000000000007 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 63.329999999999998 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 64.409999999999997 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.983 -0.377 . . . . 65.129999999999995 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.15 120.57 4.79 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.77 -0.728 . . . . 71.310000000000002 111.99 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.713 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 50.6 tp -61.19 136.17 57.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.743 0.306 . . . . 60.340000000000003 110.769 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -74.95 1.35 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 63.310000000000002 111.888 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 76.36 -56.69 3.29 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 121.42 -0.419 . . . . 63.539999999999999 113.075 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.340000000000003 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.129999999999995 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.340000000000003 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 62.340000000000003 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.746 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.430000000000007 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.409999999999997 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 72.409999999999997 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 72.510000000000005 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.150000000000006 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 51.539999999999999 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.519999999999996 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.495 0.188 . . . . 75.239999999999995 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.26 -83.99 0.69 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.746 -0.74 . . . . 44.210000000000001 112.569 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.89 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 46.3 tp -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 71.230000000000004 110.577 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -77.77 -4.87 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 73.519999999999996 110.767 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 71.88 -58.25 1.37 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.701 -0.681 . . . . 43.5 113.773 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 45.509999999999998 110.997 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 62.119999999999997 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.230000000000004 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 74.150000000000006 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 65.010000000000005 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 63.119999999999997 114.524 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 71.340000000000003 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 64.5 111.115 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 55.420000000000002 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 72.150000000000006 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.319999999999993 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.221 -0.659 . . . . 54.340000000000003 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.38 47.79 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.592 -0.813 . . . . 71.430000000000007 112.249 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.855 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 54.2 tp -75.76 142.0 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 75.439999999999998 110.218 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 19.2 mmt180 -83.01 0.15 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.34 -0.391 . . . . 60.329999999999998 111.206 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.855 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 74.63 -57.31 2.54 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 115.987 -0.551 . . . . 70.400000000000006 113.606 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 64.209999999999994 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.430000000000007 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 4' ' ' ARG . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 63.039999999999999 111.081 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.299999999999997 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.219999999999999 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.439999999999998 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 63.039999999999999 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.719 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 72.140000000000001 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 71.420000000000002 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 71.329999999999998 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 72.319999999999993 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.310000000000002 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.219999999999999 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.248 0.547 . . . . 73.120000000000005 111.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.67 5.22 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.752 -0.658 . . . . 32.32 113.492 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 2.5 pt? -67.25 158.44 31.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 65.420000000000002 112.082 -173.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -98.83 17.43 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 73.409999999999997 110.397 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.437 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 81.01 -57.42 4.84 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.166 -0.924 . . . . 24.350000000000001 113.97 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.140000000000001 112.633 -173.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 54.420000000000002 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.120000000000005 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 71.239999999999995 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.420000000000002 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.319999999999993 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.519999999999996 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.120000000000005 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.653 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.209999999999994 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 54.329999999999998 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.099999999999994 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.200000000000003 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.409999999999997 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.829 0.347 . . . . 75.329999999999998 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 169.42 45.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.879 -0.677 . . . . 73.340000000000003 112.969 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -76.37 179.95 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 74.409999999999997 110.464 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -99.96 0.06 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 72.329999999999998 110.422 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.499 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.65 -58.01 2.1 Favored Glycine 0 CA--C 1.519 0.319 0 CA-C-N 115.637 -0.71 . . . . 71.430000000000007 113.209 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.240000000000002 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.420000000000002 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.299999999999997 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 60.340000000000003 109.614 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.109999999999999 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.450000000000003 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 54.530000000000001 110.372 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 70.409999999999997 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.329999999999998 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.439999999999998 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.405 0.145 . . . . 72.420000000000002 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.09 -164.96 24.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.548 -0.834 . . . . 34.43 112.3 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.795 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 2.6 pt? -76.29 178.49 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 50.299999999999997 110.577 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.2 14.71 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.787 0.327 . . . . 74.129999999999995 111.184 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.795 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.8 -57.14 3.88 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.952 -0.567 . . . . 73.019999999999996 113.532 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.409999999999997 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 34.539999999999999 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 61.149999999999999 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.68 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.040000000000006 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.69 HG22 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.019999999999996 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.319999999999993 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.129999999999995 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.69 ' HB ' HG22 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.030000000000001 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.310000000000002 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 74.030000000000001 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 44.310000000000002 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 62.030000000000001 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.129999999999995 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 110.273 -0.269 . . . . 70.420000000000002 110.273 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.23 -145.34 4.13 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.66 -0.576 . . . . 73.010000000000005 111.66 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.769 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 49.4 tp -85.07 135.95 33.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.033 -0.358 . . . . 63.140000000000001 110.033 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -73.4 -12.19 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 63.109999999999999 110.907 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.769 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.43 -56.38 3.72 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.017 -0.538 . . . . 72.530000000000001 112.645 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.420000000000002 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.439999999999998 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 74.239999999999995 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 62.200000000000003 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.039999999999999 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.400000000000006 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.239999999999995 110.474 178.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 64.150000000000006 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.040000000000006 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.430000000000007 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.530000000000001 111.892 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 113.88 0.312 . . . . 75.329999999999998 113.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.129999999999995 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.129999999999995 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 61.439999999999998 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 71.420000000000002 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.010000000000005 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 64.430000000000007 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.140000000000001 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.799 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.4 t-160 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.129999999999995 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 55.420000000000002 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 74.140000000000001 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.099999999999994 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.299999999999997 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.214 0 CA-C-O 120.764 0.091 . . . . 71.409999999999997 113.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.340000000000003 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.030000000000001 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 73.219999999999999 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 64.219999999999999 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.230000000000004 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.25 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.569 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 71.310000000000002 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.439999999999998 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 64.109999999999999 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 72.109999999999999 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.010000000000005 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.978 0.21 . . . . 62.109999999999999 112.618 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 62.240000000000002 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 43.229999999999997 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 64.409999999999997 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 71.120000000000005 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG22 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.019999999999996 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.0 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.519999999999996 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.310000000000002 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.430000000000007 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 63.329999999999998 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 64.409999999999997 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.13 0 CA-C-O 120.701 0.056 . . . . 63.539999999999999 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.340000000000003 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.129999999999995 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.340000000000003 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 62.340000000000003 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.746 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.430000000000007 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.409999999999997 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 72.409999999999997 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 72.510000000000005 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.150000000000006 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 51.539999999999999 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.519999999999996 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 113.773 0.269 . . . . 43.5 113.773 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 45.509999999999998 110.997 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 62.119999999999997 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.230000000000004 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 74.150000000000006 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 65.010000000000005 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 63.119999999999997 114.524 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 71.340000000000003 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 17.8 t-160 -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 64.5 111.115 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 55.420000000000002 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 72.150000000000006 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.319999999999993 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 N-CA-C 113.606 0.202 . . . . 70.400000000000006 113.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 64.209999999999994 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.430000000000007 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 63.039999999999999 111.081 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.299999999999997 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.219999999999999 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.439999999999998 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 63.039999999999999 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.719 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 72.140000000000001 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 71.420000000000002 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 71.329999999999998 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 72.319999999999993 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.310000000000002 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.219999999999999 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.277 0 N-CA-C 113.97 0.348 . . . . 24.350000000000001 113.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.140000000000001 112.633 -173.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 54.420000000000002 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.120000000000005 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 71.239999999999995 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.420000000000002 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.653 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.319999999999993 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.519999999999996 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.120000000000005 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.653 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.209999999999994 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 54.329999999999998 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.099999999999994 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.200000000000003 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.409999999999997 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.319 0 CA-C-O 120.742 0.079 . . . . 71.430000000000007 113.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.240000000000002 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.420000000000002 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.299999999999997 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 60.340000000000003 109.614 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.109999999999999 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.450000000000003 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 54.530000000000001 110.372 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 70.409999999999997 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.329999999999998 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.439999999999998 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.341 0 N-CA-C 113.532 0.173 . . . . 73.019999999999996 113.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.409999999999997 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 34.539999999999999 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 61.149999999999999 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.68 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.040000000000006 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.69 HG22 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.019999999999996 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.319999999999993 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.129999999999995 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.69 ' HB ' HG22 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.030000000000001 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.310000000000002 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 74.030000000000001 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 44.310000000000002 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 62.030000000000001 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.129999999999995 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.645 -0.182 . . . . 72.530000000000001 112.645 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.420000000000002 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.439999999999998 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 74.239999999999995 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 62.200000000000003 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.039999999999999 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.400000000000006 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 t-160 -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.239999999999995 110.474 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 64.150000000000006 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.040000000000006 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.430000000000007 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.530000000000001 111.892 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.819 0.343 . . . . 75.450000000000003 111.319 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.22 -125.97 1.06 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.072 -0.811 . . . . 63.43 111.072 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.763 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.2 pt? -97.19 164.97 12.27 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.846 -0.427 . . . . 63.020000000000003 109.846 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 24.3 mmt180 -85.43 3.19 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.318 -0.401 . . . . 73.219999999999999 110.329 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.9 -58.75 1.77 Allowed Glycine 0 CA--C 1.517 0.2 0 CA-C-N 115.493 -0.776 . . . . 75.329999999999998 113.88 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.77 5.73 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.32 9.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.48 -0.867 . . . . 64.129999999999995 111.09 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.6 -77.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.419 . . . . 74.129999999999995 111.304 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.75 -26.43 67.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.638 0.732 . . . . 61.439999999999998 109.909 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.5 mm -85.92 29.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.802 -1.09 . . . . 71.420000000000002 109.821 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' A' ' 14' ' ' HIS . . . -53.86 -17.63 2.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 114.056 1.132 . . . . 71.010000000000005 114.056 -171.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.98 -32.29 69.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.251 0.548 . . . . 64.430000000000007 110.406 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -91.64 -10.59 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.449 0.642 . . . . 75.140000000000001 110.08 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.799 ' HB2' ' HA ' ' A' ' 11' ' ' ALA . 3.4 t-160 -51.99 -40.04 60.34 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.503 -0.771 . . . . 73.129999999999995 111.064 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -67.0 -6.7 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.543 0.571 . . . . 55.420000000000002 112.543 -174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -39.99 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.027 -0.36 . . . . 74.140000000000001 110.027 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -141.06 -12.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.516 0.561 . . . . 75.099999999999994 112.516 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.367 -1.241 . . . . 72.299999999999997 112.229 -177.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.743 -0.466 . . . . 74.340000000000003 109.743 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.95 -147.85 18.31 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.229 -0.748 . . . . 54.420000000000002 111.229 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.4 tp -98.23 161.7 13.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.861 -0.792 . . . . 73.329999999999998 108.861 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.91 -2.38 20.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.982 0.364 . . . . 64.209999999999994 111.982 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.28 -56.39 2.82 Favored Glycine 0 CA--C 1.517 0.214 0 O-C-N 123.203 0.314 . . . . 71.409999999999997 113.246 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -89.44 -15.0 34.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.275 -0.639 . . . . 74.340000000000003 109.275 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 78.53 35.4 32.83 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 120.597 -0.811 . . . . 73.030000000000001 111.776 -176.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -55.79 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.424 0.527 . . . . 73.219999999999999 112.424 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -87.59 -7.93 56.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.725 0.774 . . . . 64.219999999999999 110.262 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 13' ' ' ILE . 13.9 mm -90.2 27.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.438 -0.801 . . . . 74.230000000000004 109.366 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -38.03 -45.1 0.87 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.154 1.168 . . . . 74.0 114.154 -173.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.5 -41.91 90.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 73.25 111.36 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.569 ' HB ' HG22 ' A' ' 10' ' ' ILE . 41.8 mm -91.19 -20.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.376 0.608 . . . . 71.310000000000002 110.188 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 13.8 t-160 -53.84 -48.01 70.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.466 -0.788 . . . . 72.439999999999998 111.614 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 15' ' ' LYS . 20.0 ptmt -67.58 -3.0 7.57 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.947 0.351 . . . . 64.109999999999999 111.947 -174.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HD1' ' A' ' 17' ' ' TYR . 21.2 ttpp -76.06 -38.93 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 72.109999999999999 110.34 176.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' HD1' ' HE3' ' A' ' 16' ' ' LYS . 16.6 p90 -121.17 -17.57 7.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.073 -0.512 . . . . 73.010000000000005 112.136 -173.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.827 -0.985 . . . . 51.43 112.08 -177.321 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.923 0.392 . . . . 44.219999999999999 111.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 -171.13 33.92 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.066 -0.515 . . . . 55.329999999999998 113.385 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.627 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 42.0 tp -100.61 160.37 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.566 -0.531 . . . . 74.129999999999995 109.566 177.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 12.2 mmp_? -76.47 -14.35 60.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.649 0.262 . . . . 74.519999999999996 110.641 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.627 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.63 -56.99 2.1 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.899 -0.591 . . . . 62.109999999999999 112.618 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.49 8.69 23.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.796 -0.202 . . . . 62.240000000000002 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 60.26 39.94 96.7 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 120.912 -0.661 . . . . 43.229999999999997 112.339 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -56.77 -69.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.659 0.244 . . . . 64.409999999999997 111.659 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -73.91 -14.71 61.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.74 0.781 . . . . 71.120000000000005 110.079 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG22 ' HB ' ' A' ' 13' ' ' ILE . 12.4 mm -91.56 27.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.082 -0.963 . . . . 74.019999999999996 109.567 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -44.66 -35.35 2.58 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.858 1.058 . . . . 72.0 113.858 -173.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.62 -41.38 81.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 72.519999999999996 110.316 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -90.41 -24.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.133 0.492 . . . . 72.310000000000002 110.11 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 21.4 t-160 -56.16 -44.86 79.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 74.430000000000007 110.776 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.63 -1.99 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 111.887 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 52.1 tptt -79.47 -34.44 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 63.329999999999998 110.991 176.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -125.15 14.29 8.39 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.702 -0.399 . . . . 73.25 111.96 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.804 0 CA-C-O 118.447 -1.196 . . . . 64.409999999999997 111.983 177.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.983 -0.377 . . . . 65.129999999999995 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.15 120.57 4.79 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.77 -0.728 . . . . 71.310000000000002 111.99 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.713 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 50.6 tp -61.19 136.17 57.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.743 0.306 . . . . 60.340000000000003 110.769 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -74.95 1.35 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 63.310000000000002 111.888 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 76.36 -56.69 3.29 Favored Glycine 0 CA--C 1.516 0.13 0 C-N-CA 121.42 -0.419 . . . . 63.539999999999999 113.075 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.54 5.11 44.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.016 0.436 . . . . 54.340000000000003 110.745 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -34.04 1.92 Allowed Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 112.954 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 38.97 -90.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.472 1.109 . . . . 74.129999999999995 113.702 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -74.55 -15.97 60.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.226 0.536 . . . . 75.340000000000003 111.104 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mm -87.29 30.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.716 -0.846 . . . . 62.340000000000003 108.716 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.746 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -43.12 -29.95 0.41 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.377 1.251 . . . . 73.430000000000007 114.377 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.15 -40.14 84.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 75.409999999999997 110.414 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 48.1 mm -90.5 -22.49 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 72.409999999999997 110.038 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 9.2 t-160 -56.08 -44.97 79.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 110.451 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 21.3 ptmt -72.63 -3.06 22.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 72.510000000000005 111.487 -178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 64.8 tttp -77.35 -43.81 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.665 0.269 . . . . 74.150000000000006 110.751 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -116.9 -7.91 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.638 -0.425 . . . . 51.539999999999999 111.591 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.524 -1.153 . . . . 72.519999999999996 111.888 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.495 0.188 . . . . 75.239999999999995 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.26 -83.99 0.69 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.746 -0.74 . . . . 44.210000000000001 112.569 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.89 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 46.3 tp -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 71.230000000000004 110.577 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -77.77 -4.87 48.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 73.519999999999996 110.767 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 71.88 -58.25 1.37 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.701 -0.681 . . . . 43.5 113.773 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.55 -1.43 57.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.688 0.28 . . . . 45.509999999999998 110.997 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.17 43.14 99.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.915 -0.659 . . . . 62.119999999999997 112.692 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.59 -57.7 11.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 72.230000000000004 111.102 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -86.2 -12.96 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.828 0.823 . . . . 74.150000000000006 109.761 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -92.37 29.19 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 114.591 -1.186 . . . . 65.010000000000005 110.136 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -39.64 -37.78 0.55 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.524 1.305 . . . . 63.119999999999997 114.524 -172.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.88 -39.98 69.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.108 0.48 . . . . 71.340000000000003 111.405 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -91.05 -23.29 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 110.246 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 17.8 t-160 -55.88 -45.84 78.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 64.5 111.115 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 20.6 ptmt -64.34 -8.72 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.265 0.469 . . . . 55.420000000000002 112.265 -174.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.65 -30.37 68.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.414 . . . . 72.150000000000006 110.301 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.24 15.14 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 111.454 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.674 -1.07 . . . . 75.319999999999993 112.016 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.221 -0.659 . . . . 54.340000000000003 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.38 47.79 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.592 -0.813 . . . . 71.430000000000007 112.249 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.855 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 54.2 tp -75.76 142.0 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 75.439999999999998 110.218 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' HB3' ' HD3' ' A' ' 8' ' ' ARG . 19.2 mmt180 -83.01 0.15 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.34 -0.391 . . . . 60.329999999999998 111.206 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.855 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 74.63 -57.31 2.54 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 115.987 -0.551 . . . . 70.400000000000006 113.606 175.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.15 10.26 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.802 0.335 . . . . 64.209999999999994 110.894 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' ' HB2' ' A' ' 14' ' ' HIS . . . 59.77 48.8 84.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 64.430000000000007 112.025 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 4' ' ' ARG . 67.3 mtp180 -59.58 -68.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.46 0.304 . . . . 63.039999999999999 111.081 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -85.63 -16.29 39.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.953 0.882 . . . . 74.299999999999997 109.152 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' HB ' ' A' ' 13' ' ' ILE . 8.2 mm -86.54 28.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.65 -1.159 . . . . 75.219999999999999 110.132 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -50.03 -31.28 12.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.887 0.699 . . . . 71.439999999999998 112.887 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.66 -34.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.956 0.407 . . . . 63.039999999999999 111.243 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.719 ' HB ' HG22 ' A' ' 10' ' ' ILE . 50.6 mm -91.02 -25.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.476 0.655 . . . . 72.140000000000001 110.06 177.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.692 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 9.9 t-80 -55.0 -41.96 71.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.475 -0.784 . . . . 71.420000000000002 111.282 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 19.3 ptmt -73.17 3.81 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.321 -0.399 . . . . 71.329999999999998 111.936 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -25.93 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.944 -0.391 . . . . 72.319999999999993 109.944 175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -128.32 -11.62 5.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.478 0.548 . . . . 71.310000000000002 112.478 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.397 -1.224 . . . . 64.219999999999999 112.235 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.248 0.547 . . . . 73.120000000000005 111.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.67 5.22 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.752 -0.658 . . . . 32.32 113.492 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 2.5 pt? -67.25 158.44 31.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 65.420000000000002 112.082 -173.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -98.83 17.43 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 73.409999999999997 110.397 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.437 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 81.01 -57.42 4.84 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.166 -0.924 . . . . 24.350000000000001 113.97 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -100.0 4.28 44.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.633 0.605 . . . . 71.140000000000001 112.633 -173.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 14' ' ' HIS . . . 61.48 49.09 80.67 Favored Glycine 0 C--O 1.227 -0.288 0 C-N-CA 120.688 -0.767 . . . . 54.420000000000002 112.859 177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -60.9 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.798 0.299 . . . . 75.120000000000005 110.814 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 11' ' ' ALA . 62.6 tttp -74.96 -25.47 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.573 0.701 . . . . 71.239999999999995 109.751 174.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -77.87 29.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.895 -1.048 . . . . 75.420000000000002 110.832 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.653 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.4 -35.41 1.02 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.063 0.945 . . . . 70.319999999999993 113.366 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 12' ' ' LEU . 3.1 mm? -56.74 -42.09 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.004 0.431 . . . . 75.519999999999996 110.981 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.84 -26.95 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.024 -0.535 . . . . 73.120000000000005 110.093 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.653 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 22.2 t-160 -54.2 -48.97 70.42 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.907 -0.588 . . . . 74.209999999999994 111.121 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -63.52 -10.24 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 54.329999999999998 112.035 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -70.62 -42.51 70.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.725 0.297 . . . . 74.099999999999994 110.575 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 14' ' ' HIS . 5.7 p90 -108.95 -26.01 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.78 0.659 . . . . 73.200000000000003 112.78 -175.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.444 -1.198 . . . . 74.409999999999997 112.817 -176.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.829 0.347 . . . . 75.329999999999998 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 169.42 45.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.879 -0.677 . . . . 73.340000000000003 112.969 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -76.37 179.95 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 74.409999999999997 110.464 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -99.96 0.06 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 72.329999999999998 110.422 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.499 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 73.65 -58.01 2.1 Favored Glycine 0 CA--C 1.519 0.319 0 CA-C-N 115.637 -0.71 . . . . 71.430000000000007 113.209 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -99.78 2.56 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.944 0.402 . . . . 73.409999999999997 110.454 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 53.25 44.69 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 60.240000000000002 112.158 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.95 -42.85 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 64.420000000000002 110.851 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -79.49 -25.54 41.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 75.299999999999997 109.393 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.64 29.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.975 -1.011 . . . . 60.340000000000003 109.614 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.85 -37.36 1.79 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.329 1.233 . . . . 73.109999999999999 114.329 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.53 -36.81 83.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 72.450000000000003 110.668 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.64 -7.15 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.218 0.532 . . . . 54.530000000000001 110.372 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 17' ' ' TYR . 11.0 t-160 -56.21 -29.86 61.52 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.231 -0.44 . . . . 74.120000000000005 110.994 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.65 -22.11 63.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.811 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -71.57 -37.05 71.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.742 0.306 . . . . 70.409999999999997 111.529 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -116.51 17.24 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.07 0.396 . . . . 74.329999999999998 112.07 -174.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.736 -1.036 . . . . 71.439999999999998 112.411 176.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.405 0.145 . . . . 72.420000000000002 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.09 -164.96 24.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.548 -0.834 . . . . 34.43 112.3 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.795 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 2.6 pt? -76.29 178.49 6.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 50.299999999999997 110.577 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.2 14.71 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.787 0.327 . . . . 74.129999999999995 111.184 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.795 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.8 -57.14 3.88 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.952 -0.567 . . . . 73.019999999999996 113.532 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.83 10.36 41.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.818 -0.225 . . . . 73.409999999999997 111.034 -177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA3' ' OH ' ' A' ' 17' ' ' TYR . . . 61.62 48.88 81.86 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 120.361 -0.923 . . . . 34.539999999999999 111.177 -175.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -65.51 -49.67 68.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.792 0.33 . . . . 61.149999999999999 111.391 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.68 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 7.6 mmpt? -76.59 -23.16 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.464 0.649 . . . . 74.040000000000006 110.26 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.69 HG22 ' HB ' ' A' ' 13' ' ' ILE . 11.4 mm -90.65 29.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.093 -0.958 . . . . 73.019999999999996 109.561 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -45.89 -33.07 2.98 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.071 1.137 . . . . 72.319999999999993 114.071 -172.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.86 -38.64 86.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.135 0.493 . . . . 75.129999999999995 109.836 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.69 ' HB ' HG22 ' A' ' 10' ' ' ILE . 44.7 mm -88.42 -19.06 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 75.030000000000001 110.179 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 5.4 t-80 -51.43 -47.75 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 75.310000000000002 111.403 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -61.81 -12.48 17.47 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.968 0.414 . . . . 74.030000000000001 111.733 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 87.4 tttt -73.79 -31.33 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.173 -0.467 . . . . 44.310000000000002 110.924 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' OH ' ' HA3' ' A' ' 7' ' ' GLY . 8.3 p90 -126.82 5.4 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.774 0.657 . . . . 62.030000000000001 112.774 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 C-N-CA 119.901 -1.142 . . . . 73.129999999999995 112.55 177.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 110.273 -0.269 . . . . 70.420000000000002 110.273 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.23 -145.34 4.13 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.66 -0.576 . . . . 73.010000000000005 111.66 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.769 ' HG ' ' H ' ' A' ' 5' ' ' GLY . 49.4 tp -85.07 135.95 33.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.033 -0.358 . . . . 63.140000000000001 110.033 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -73.4 -12.19 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 63.109999999999999 110.907 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.769 ' H ' ' HG ' ' A' ' 3' ' ' LEU . . . 77.43 -56.38 3.72 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 116.017 -0.538 . . . . 72.530000000000001 112.645 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 6' ' ' LEU . 3.7 mm? -86.07 -5.37 59.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.577 0.227 . . . . 72.420000000000002 111.044 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.68 51.52 46.52 Favored Glycine 0 C--O 1.224 -0.473 0 C-N-CA 120.578 -0.82 . . . . 74.439999999999998 112.71 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -58.23 -70.22 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.46 -19.01 58.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.841 0.829 . . . . 74.239999999999995 109.528 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 mt -89.97 30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.667 -1.151 . . . . 62.200000000000003 110.544 -175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -42.99 -32.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.589 0.959 . . . . 53.039999999999999 113.589 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.09 -36.81 78.22 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.276 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.4 mm -90.19 -27.76 5.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.107 0.479 . . . . 74.400000000000006 109.896 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 t-160 -54.92 -48.53 72.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.715 -0.675 . . . . 74.239999999999995 110.474 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 20.3 ptmt -64.75 -10.84 30.5 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.949 0.352 . . . . 64.150000000000006 111.949 -177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -74.88 -25.27 58.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.249 -0.278 . . . . 71.040000000000006 110.249 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -132.22 14.4 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.699 0.285 . . . . 73.430000000000007 111.469 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . . . . . . 0 C--O 1.246 0.864 0 CA-C-O 118.518 -1.157 . . . . 63.530000000000001 111.892 -179.685 . . . . . . . . 1 1 . 1 stop_ save_