data_1n0d_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 1n0d _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.06 -0.019 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 121.101 0.477 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.364 0.602 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.918 0.866 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m -136.17 160.77 37.67 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.399 0.68 . . . . 0.0 112.698 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.35 114.11 27.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.371 -0.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m -141.13 155.27 46.13 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -106.6 136.03 47.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -128.27 147.91 50.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.529 1.132 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m -129.25 175.1 9.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.816 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -134.43 157.28 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.455 0.702 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m -139.47 159.05 43.06 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.412 -0.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m -138.62 148.51 44.18 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.467 1.107 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -129.84 154.5 47.21 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.367 -0.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m -131.37 151.59 51.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.324 1.45 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -111.42 173.49 6.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.68 155.47 25.48 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.735 1.214 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.94 145.26 37.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.372 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m -137.66 155.44 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.774 0.83 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -116.8 128.26 55.12 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.88 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -138.72 156.95 46.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.906 1.282 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m -132.27 172.6 12.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 121.228 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m -144.15 158.72 43.56 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.24 154.68 30.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 121.872 -0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m -142.38 140.14 31.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.179 0.992 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.35 157.2 41.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.475 -0.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -136.91 143.41 42.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.979 0.912 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -132.3 161.75 32.74 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 121.568 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.16 162.09 28.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.473 1.109 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m -136.94 154.35 50.47 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m -130.89 142.46 50.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.844 0.858 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -130.42 166.73 19.86 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.278 -0.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m -106.39 151.31 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.352 0.661 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m -120.75 129.5 53.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m -140.09 150.29 44.14 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -126.24 173.77 9.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -127.89 162.79 25.91 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.967 0.907 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -134.34 158.08 44.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.61 -0.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -131.88 157.02 45.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m -140.32 169.91 16.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.513 -0.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m -137.73 165.38 26.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.267 1.027 . . . . 0.0 113.689 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m -116.05 163.68 15.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 121.382 -0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -135.84 164.27 28.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.558 1.543 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.78 170.92 14.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.211 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.06 -0.019 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 121.101 0.477 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.364 0.602 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.918 0.866 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m -136.17 160.77 37.67 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.399 0.68 . . . . 0.0 112.698 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.35 114.11 27.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.371 -0.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m -141.13 155.27 46.13 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -106.6 136.03 47.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -128.27 147.91 50.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.529 1.132 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m -129.25 175.1 9.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.816 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -134.43 157.28 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.455 0.702 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m -139.47 159.05 43.06 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.412 -0.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m -138.62 148.51 44.18 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.467 1.107 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -129.84 154.5 47.21 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.367 -0.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m -131.37 151.59 51.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.324 1.45 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -111.42 173.49 6.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.68 155.47 25.48 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.735 1.214 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.94 145.26 37.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.372 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m -137.66 155.44 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.774 0.83 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -116.8 128.26 55.12 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.88 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -138.72 156.95 46.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.906 1.282 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m -132.27 172.6 12.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 121.228 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m -144.15 158.72 43.56 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.24 154.68 30.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 121.872 -0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m -142.38 140.14 31.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.179 0.992 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.35 157.2 41.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.475 -0.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -136.91 143.41 42.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.979 0.912 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -132.3 161.75 32.74 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 121.568 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.16 162.09 28.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.473 1.109 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m -136.94 154.35 50.47 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m -130.89 142.46 50.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.844 0.858 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -130.42 166.73 19.86 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.278 -0.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m -106.39 151.31 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.352 0.661 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m -120.75 129.5 53.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m -140.09 150.29 44.14 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -126.24 173.77 9.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -127.89 162.79 25.91 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.967 0.907 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -134.34 158.08 44.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.61 -0.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -131.88 157.02 45.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m -140.32 169.91 16.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.513 -0.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m -137.73 165.38 26.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.267 1.027 . . . . 0.0 113.689 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m -116.05 163.68 15.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 121.382 -0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -135.84 164.27 28.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.558 1.543 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.78 170.92 14.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.211 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.532 0.206 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 CA--C 1.538 0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.06 -0.019 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 121.101 0.477 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.364 0.602 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.918 0.866 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.9 m -136.17 160.77 37.67 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.399 0.68 . . . . 0.0 112.698 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 m -135.89 146.04 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.668 1.187 . . . . 0.0 111.116 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -82.03 136.71 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.887 0.875 . . . . 0.0 109.76 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -123.25 24.54 8.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.083 0.953 . . . . 0.0 111.065 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.32 -112.19 1.18 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.005 1.764 . . . . 0.0 110.579 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -90.24 0.3 57.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.18 1.792 . . . . 0.0 113.263 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -141.67 149.66 40.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.857 2.063 . . . . 0.0 110.113 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 tp -103.62 132.1 50.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.187 2.195 . . . . 0.0 108.989 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -111.83 126.74 55.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.231 1.012 . . . . 0.0 109.387 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.35 114.11 27.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.163 0.985 . . . . 0.0 110.024 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.371 -0.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 m -141.13 155.27 46.13 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.92 161.1 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.075 0.95 . . . . 0.0 111.523 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -103.59 118.65 37.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.891 2.076 . . . . 0.0 109.738 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -96.46 57.25 1.63 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 170.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.46 -53.02 0.46 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.133 2.301 . . . . 0.0 115.461 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.23 0.51 7.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.416 1.108 . . . . 0.0 113.771 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -145.75 148.58 33.13 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.672 1.189 . . . . 0.0 110.626 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -90.72 128.07 36.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.915 1.686 . . . . 0.0 109.522 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -118.5 114.12 22.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.97 1.308 . . . . 0.0 108.291 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -106.6 136.03 47.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 112.107 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -128.27 147.91 50.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.529 1.132 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.3 m -130.23 141.95 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.754 1.222 . . . . 0.0 111.558 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -81.21 108.02 14.5 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.593 1.557 . . . . 0.0 112.085 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -97.79 70.63 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.694 1.235 . . . . 0.0 109.181 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.22 -65.27 0.74 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.035 1.779 . . . . 0.0 114.887 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -128.15 4.08 5.82 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.544 1.172 . . . . 0.0 113.035 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.3 160.51 40.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.394 1.078 . . . . 0.0 110.745 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.65 130.0 55.33 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.801 1.64 . . . . 0.0 109.203 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -125.3 134.98 52.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.92 1.688 . . . . 0.0 109.93 -170.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.4 m -129.25 175.1 9.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.051 0.94 . . . . 0.0 112.198 -170.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.816 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -134.43 157.28 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.455 0.702 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.65 131.4 68.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 125.354 1.461 . . . . 0.0 111.474 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -80.81 100.6 8.89 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.371 1.468 . . . . 0.0 110.606 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -99.11 100.48 11.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.753 1.221 . . . . 0.0 109.568 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.46 -72.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.83 2.157 . . . . 0.0 112.657 -172.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.76 4.77 1.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.455 1.502 . . . . 0.0 114.489 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -117.21 139.22 51.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.611 1.565 . . . . 0.0 110.458 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -94.89 105.01 16.91 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.991 1.316 . . . . 0.0 109.875 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.15 162.6 12.97 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.13 0.972 . . . . 0.0 109.091 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.6 m -139.47 159.05 43.06 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.249 -0.907 . . . . 0.0 112.698 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.412 -0.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.6 m -138.62 148.51 44.18 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.467 1.107 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.95 139.68 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.926 1.69 . . . . 0.0 112.315 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -87.1 112.67 22.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.43 1.892 . . . . 0.0 111.079 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.79 89.66 4.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.46 0.647 . . . . 0.0 109.646 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.12 -70.32 0.45 Allowed Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.181 1.372 . . . . 0.0 114.393 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -4.36 6.99 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -171.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -147.34 159.64 43.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.471 1.032 . . . . 0.0 111.622 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.57 142.62 27.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.81 1.644 . . . . 0.0 110.203 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -125.52 151.08 46.81 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.938 1.695 . . . . 0.0 109.221 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -129.84 154.5 47.21 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 111.322 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.367 -0.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.6 m -131.37 151.59 51.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.324 1.45 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.72 173.53 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.461 1.504 . . . . 0.0 110.841 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -123.8 130.7 53.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.873 1.269 . . . . 0.0 113.787 -169.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -106.68 77.72 1.21 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.89 2.476 . . . . 0.0 108.024 169.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.87 -83.94 0.03 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 126.5 2.0 . . . . 0.0 115.167 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.08 9.4 14.75 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.943 1.297 . . . . 0.0 112.687 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -128.82 154.12 46.75 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 127.464 2.306 . . . . 0.0 109.005 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 160.7 28.36 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.27 1.033 . . . . 0.0 112.823 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -135.91 122.25 20.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.734 2.014 . . . . 0.0 108.136 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -111.42 173.49 6.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.969 0.908 . . . . 0.0 112.603 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.68 155.47 25.48 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.735 1.214 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.75 166.76 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 109.46 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.08 118.67 26.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.158 1.383 . . . . 0.0 111.901 -169.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.03 78.17 3.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.785 1.234 . . . . 0.0 108.527 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.67 -86.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.106 1.812 . . . . 0.0 113.425 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -5.04 26.99 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.124 1.77 . . . . 0.0 113.21 -174.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.23 155.29 44.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.91 2.084 . . . . 0.0 110.15 -172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.25 147.32 43.54 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.591 1.156 . . . . 0.0 112.013 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -133.83 147.2 51.18 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.511 1.524 . . . . 0.0 109.652 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.94 145.26 37.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.069 -1.019 . . . . 0.0 110.74 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.372 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.4 m -137.66 155.44 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.774 0.83 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.48 133.58 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 126.501 1.92 . . . . 0.0 111.315 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -73.0 146.42 45.98 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 0.0 111.903 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -133.48 85.59 2.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 109.029 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.16 -65.8 0.15 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.065 1.793 . . . . 0.0 114.599 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.96 5.48 2.14 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.719 2.408 . . . . 0.0 114.025 -178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -125.94 156.16 40.19 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.949 1.699 . . . . 0.0 110.318 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -115.14 123.98 50.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.129 1.372 . . . . 0.0 109.457 175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.98 136.64 51.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.305 1.042 . . . . 0.0 109.479 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -116.8 128.26 55.12 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.536 0.735 . . . . 0.0 111.058 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.88 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -138.72 156.95 46.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.906 1.282 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.3 145.07 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.888 1.275 . . . . 0.0 112.08 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -87.99 141.47 28.55 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.588 1.555 . . . . 0.0 111.682 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -138.87 92.3 2.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.486 1.515 . . . . 0.0 109.906 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.25 -74.78 0.52 Allowed Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.555 1.55 . . . . 0.0 113.531 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.64 10.47 4.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.511 1.125 . . . . 0.0 113.643 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -136.81 152.12 49.92 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.014 0.824 . . . . 0.0 111.91 -176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 tp -105.1 140.0 38.94 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.104 1.762 . . . . 0.0 109.185 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -128.16 141.5 51.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.906 1.282 . . . . 0.0 109.657 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.5 m -132.27 172.6 12.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.885 1.274 . . . . 0.0 112.89 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 121.228 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 m -144.15 158.72 43.56 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 m -125.34 157.73 34.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.26 1.424 . . . . 0.0 111.067 170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -95.13 132.18 40.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.7 1.6 . . . . 0.0 110.033 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -114.38 83.55 1.9 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.476 1.51 . . . . 0.0 108.281 174.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.63 -74.39 0.32 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.394 1.473 . . . . 0.0 112.134 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.84 10.81 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -108.17 138.42 44.48 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.126 1.371 . . . . 0.0 108.899 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -87.52 142.97 27.45 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -131.84 128.2 38.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.869 1.668 . . . . 0.0 108.946 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.24 154.68 30.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.753 0.821 . . . . 0.0 112.329 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 121.872 -0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.8 m -142.38 140.14 31.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.179 0.992 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.69 142.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.936 2.095 . . . . 0.0 111.382 175.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.76 139.78 34.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.575 1.15 . . . . 0.0 112.412 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -93.57 -0.52 56.2 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.653 1.981 . . . . 0.0 111.312 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.88 -86.66 0.3 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 126.932 2.205 . . . . 0.0 109.908 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -92.18 0.45 57.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.931 1.292 . . . . 0.0 113.415 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -136.63 145.46 44.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 127.299 2.24 . . . . 0.0 109.622 -169.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.24 145.61 30.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.615 1.166 . . . . 0.0 110.915 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -125.59 144.56 50.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.795 1.238 . . . . 0.0 109.723 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.4 m -128.35 157.2 41.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.162 0.985 . . . . 0.0 111.494 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.475 -0.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -136.91 143.41 42.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.979 0.912 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.95 164.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.624 1.57 . . . . 0.0 109.794 171.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -105.46 124.53 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.356 1.062 . . . . 0.0 110.316 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.98 93.14 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.217 1.008 . . . . 0.0 108.309 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.84 -74.78 0.33 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.289 1.899 . . . . 0.0 113.323 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.8 12.71 2.92 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.115 1.366 . . . . 0.0 113.127 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -134.29 136.74 43.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.888 2.075 . . . . 0.0 110.925 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tp -82.41 136.17 35.01 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.421 1.088 . . . . 0.0 111.388 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -116.69 146.17 42.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.001 2.12 . . . . 0.0 108.977 169.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -132.3 161.75 32.74 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.426 0.691 . . . . 0.0 112.127 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 121.568 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.16 162.09 28.6 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.473 1.109 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.62 172.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 128.38 2.672 . . . . 0.0 109.608 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -135.7 142.56 45.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.534 1.934 . . . . 0.0 108.501 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.25 86.03 2.35 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.795 1.238 . . . . 0.0 109.749 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.84 -68.91 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.833 1.206 . . . . 0.0 112.769 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.96 1.89 3.61 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -172.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -143.13 148.78 37.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.605 1.093 . . . . 0.0 113.259 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 146.54 26.85 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.279 1.832 . . . . 0.0 111.71 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -137.97 158.76 43.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.861 1.264 . . . . 0.0 110.416 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 m -136.94 154.35 50.47 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.345 0.658 . . . . 0.0 111.754 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.8 m -130.89 142.46 50.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.844 0.858 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 t -111.93 173.33 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 C-N-CA 126.919 2.088 . . . . 0.0 108.425 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -130.02 131.85 46.02 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.287 1.835 . . . . 0.0 112.406 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.43 66.95 0.65 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.575 2.35 . . . . 0.0 109.226 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.11 -68.89 1.66 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.549 1.547 . . . . 0.0 113.963 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -128.21 1.57 5.79 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 113.504 -170.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -140.0 153.85 46.97 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 128.496 2.718 . . . . 0.0 107.857 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.5 155.59 21.16 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.723 0.809 . . . . 0.0 112.713 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -136.73 145.56 44.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.51 1.524 . . . . 0.0 108.956 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -130.42 166.73 19.86 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.833 0.742 . . . . 0.0 112.202 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 121.278 -0.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.6 m -106.39 151.31 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.352 0.661 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 m -115.9 147.29 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.924 1.289 . . . . 0.0 109.822 172.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -100.04 138.74 36.69 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.521 1.128 . . . . 0.0 111.28 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.83 78.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.464 2.706 . . . . 0.0 107.656 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.46 -76.02 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.693 1.616 . . . . 0.0 113.445 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -130.48 7.91 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.627 1.971 . . . . 0.0 112.348 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -118.57 143.61 46.66 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.919 1.688 . . . . 0.0 109.486 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.3 tp -125.86 121.83 34.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.859 1.263 . . . . 0.0 108.522 -169.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -124.97 127.93 47.8 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.159 0.984 . . . . 0.0 108.933 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 m -120.75 129.5 53.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.725 0.81 . . . . 0.0 111.079 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.3 m -140.09 150.29 44.14 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.67 151.3 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.734 1.614 . . . . 0.0 112.553 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -96.83 116.52 29.29 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.47 1.108 . . . . 0.0 112.038 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -93.81 84.14 4.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.353 1.861 . . . . 0.0 108.907 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.1 -66.99 0.68 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.446 1.498 . . . . 0.0 113.387 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -138.95 -5.43 1.49 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.614 1.566 . . . . 0.0 114.281 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -109.66 145.67 36.11 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.042 1.337 . . . . 0.0 110.145 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -91.09 136.49 33.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 110.64 169.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -122.85 133.81 54.42 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.529 1.532 . . . . 0.0 109.045 170.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -126.24 173.77 9.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.307 1.443 . . . . 0.0 112.16 -172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -127.89 162.79 25.91 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.967 0.907 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.22 161.91 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.366 2.266 . . . . 0.0 108.905 169.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -124.72 146.1 49.35 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 110.612 174.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -137.08 103.61 5.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.736 2.414 . . . . 0.0 109.234 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.86 -73.5 0.36 Allowed Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.575 1.083 . . . . 0.0 113.239 175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -148.11 11.26 0.92 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.386 1.875 . . . . 0.0 113.895 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -130.26 163.08 27.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.965 1.306 . . . . 0.0 111.01 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.8 157.99 28.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.788 0.835 . . . . 0.0 113.036 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -137.57 147.19 44.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.638 1.575 . . . . 0.0 108.568 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -134.34 158.08 44.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.683 1.129 . . . . 0.0 113.198 -171.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.61 -0.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.4 m -131.88 157.02 45.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.4 137.26 43.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 126.752 2.021 . . . . 0.0 110.03 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -86.49 113.01 22.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.557 1.143 . . . . 0.0 110.002 176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -87.49 73.13 9.57 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 122.414 1.102 . . . . 0.0 108.279 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.81 -57.82 0.74 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.525 2.012 . . . . 0.0 114.491 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -136.1 0.93 2.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -147.14 154.87 41.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.745 1.618 . . . . 0.0 111.262 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.86 136.7 39.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.474 1.109 . . . . 0.0 110.61 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.58 159.8 37.18 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.004 1.322 . . . . 0.0 109.528 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 m -140.32 169.91 16.8 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.417 0.687 . . . . 0.0 112.322 -173.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.513 -0.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.7 m -137.73 165.38 26.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.267 1.027 . . . . 0.0 113.689 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.35 167.21 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 128.421 2.688 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -119.71 138.43 53.3 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.552 2.341 . . . . 0.0 110.528 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -124.57 1.22 8.25 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.29 -112.42 0.52 Allowed Glycine 0 C--N 1.334 0.456 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -171.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 5.25 52.44 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.316 1.047 . . . . 0.0 112.253 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -138.53 166.64 23.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.604 1.162 . . . . 0.0 112.514 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.42 151.12 33.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 128.156 2.582 . . . . 0.0 110.803 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -139.39 141.54 37.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.351 1.46 . . . . 0.0 109.791 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.8 m -116.05 163.68 15.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.704 0.764 . . . . 0.0 112.838 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 121.382 -0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -135.84 164.27 28.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.558 1.543 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 m -139.8 174.41 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 127.235 2.214 . . . . 0.0 110.377 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -133.45 139.59 46.79 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.819 0.848 . . . . 0.0 111.633 169.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.23 40.31 1.0 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.558 1.543 . . . . 0.0 108.894 169.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.83 -21.9 0.06 OUTLIER Glycine 0 CA--C 1.54 1.622 0 C-N-CA 129.004 3.192 . . . . 0.0 117.432 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.37 -22.6 5.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.879 1.672 . . . . 0.0 113.589 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -135.9 157.7 46.21 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.242 2.217 . . . . 0.0 109.399 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.43 150.06 39.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.145 0.978 . . . . 0.0 113.024 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -141.03 156.28 46.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.315 1.446 . . . . 0.0 110.655 -174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.3 m -140.78 170.92 14.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.588 0.755 . . . . 0.0 112.994 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.211 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_