data_1le1_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 1le1 _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' ' ' TRP . . . . . . . . . . . . . 97.0 m95 . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 119.703 -0.189 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.313 0.577 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' C ' HD21 ' A' ' 6' ' ' ASN . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 5' ' ' GLU 0.272 0.1 OUTLIER 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 . . . . . 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 . . . . . 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.39 0.138 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.607 0.717 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.495 0.188 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.223 -0.337 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 . . . . . 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.376 0.608 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 . . . . . 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.519 0.676 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.06 127.13 32.12 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.062 170.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.12 100.44 11.72 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -99.78 134.75 42.22 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.397 1.879 . . . . 0.0 110.323 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.626 -1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -86.89 137.02 32.74 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.341 -0.849 . . . . 0.0 110.889 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -73.68 105.78 5.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 51.55 0.84 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.98 1.712 . . . . 0.0 110.171 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.892 -1.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.21 141.33 28.64 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.848 -1.157 . . . . 0.0 111.075 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -69.25 161.76 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -127.71 135.57 50.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.863 1.665 . . . . 0.0 111.656 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 121.64 -0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.175 0.512 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -85.21 145.22 27.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.834 0.854 . . . . 0.0 112.287 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -83.66 139.25 32.91 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -140.43 -5.49 1.23 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.373 0.606 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.63 147.72 26.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.396 1.078 . . . . 0.0 112.631 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -79.11 151.52 31.33 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -127.9 98.05 5.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.8 0.84 . . . . 0.0 111.761 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.579 0.704 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -72.94 126.1 29.14 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' C ' HD21 ' A' ' 6' ' ' ASN . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 5' ' ' GLU 0.272 0.1 OUTLIER 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -78.59 106.83 10.83 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -139.65 -19.63 0.93 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.385 1.874 . . . . 0.0 113.192 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.71 -1.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.414 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 6.6 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -105.13 133.71 49.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.443 1.097 . . . . 0.0 109.883 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 1' ' ' SER . 63.6 t-105 -71.4 124.99 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 -1.97 17.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -48.83 120.0 3.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.607 0.363 . . . . 0.0 110.905 167.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -82.76 150.15 26.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -137.36 127.68 26.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.973 0.909 . . . . 0.0 111.996 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.673 0.749 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.43 154.48 16.94 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.737 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -100.83 142.04 32.85 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -129.44 158.1 40.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 127.164 2.186 . . . . 0.0 108.508 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 121.554 -0.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.529 -0.175 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -73.68 134.93 43.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.622 0.769 . . . . 0.0 110.875 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -94.31 93.26 7.62 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -123.32 1.01 9.02 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 120.365 -1.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.472 0.654 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -79.67 140.52 37.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 170.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -96.82 103.35 15.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -117.51 133.37 56.03 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.844 1.658 . . . . 0.0 110.239 -170.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.904 -0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.568 0.223 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -113.49 139.46 48.93 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.194 0.998 . . . . 0.0 109.77 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -75.44 140.65 43.02 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -138.33 80.75 1.81 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.354 1.073 . . . . 0.0 112.948 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.306 -0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.939 0.4 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -98.01 140.16 32.76 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -80.83 146.62 30.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -135.66 148.64 49.02 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.541 . . . . 0.0 109.986 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.361 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 123.369 1.556 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -114.03 138.17 50.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.005 2.122 . . . . 0.0 109.09 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -78.04 147.96 34.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -136.82 96.66 3.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.823 1.649 . . . . 0.0 109.85 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 121.487 -0.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 121.97 0.89 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -70.74 126.56 29.94 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 120.59 -1.319 . . . . 0.0 114.163 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -78.74 92.84 4.84 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -129.49 -2.63 4.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.73 1.612 . . . . 0.0 114.134 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -76.93 123.62 26.56 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.189 0.596 . . . . 0.0 111.544 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -79.32 133.2 36.62 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -116.17 167.36 11.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 122.178 0.989 . . . . 0.0 112.528 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 121.537 -0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.537 0.684 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -57.39 106.81 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -120.24 148.58 43.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -142.06 149.99 40.65 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.254 0.622 . . . . 0.0 110.929 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.273 -0.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.46 111.13 9.34 Favored 'General case' 0 C--N 1.342 0.271 0 O-C-N 121.707 -0.621 . . . . 0.0 111.213 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -92.98 71.01 4.64 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -129.15 -11.11 4.71 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 122.007 0.908 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -85.81 152.3 23.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.116 1.766 . . . . 0.0 110.914 166.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -72.39 150.59 43.28 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -139.93 -18.84 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.667 1.587 . . . . 0.0 113.094 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -53.12 112.04 0.79 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -115.43 123.75 49.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -116.04 -1.37 12.5 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 171.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 120.548 -1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.0 m95 . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 119.703 -0.189 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.313 0.577 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.272 9.8 p-10 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 . . . . . 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.431 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 . . . . . 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.39 0.138 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.607 0.717 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.495 0.188 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.223 -0.337 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 . . . . . 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.376 0.608 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 . . . . . 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.519 0.676 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.06 127.13 32.12 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.062 170.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.12 100.44 11.72 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -99.78 134.75 42.22 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.397 1.879 . . . . 0.0 110.323 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.626 -1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -86.89 137.02 32.74 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.341 -0.849 . . . . 0.0 110.889 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -73.68 105.78 5.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 51.55 0.84 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.98 1.712 . . . . 0.0 110.171 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.892 -1.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.21 141.33 28.64 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.848 -1.157 . . . . 0.0 111.075 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -69.25 161.76 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -127.71 135.57 50.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.863 1.665 . . . . 0.0 111.656 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 121.64 -0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.175 0.512 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -85.21 145.22 27.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.834 0.854 . . . . 0.0 112.287 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -83.66 139.25 32.91 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -140.43 -5.49 1.23 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.373 0.606 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.63 147.72 26.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.396 1.078 . . . . 0.0 112.631 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -79.11 151.52 31.33 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -127.9 98.05 5.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.8 0.84 . . . . 0.0 111.761 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 13' ' ' NH2 . 3.9 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.579 0.704 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -72.94 126.1 29.14 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.272 9.8 p-10 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -78.59 106.83 10.83 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -139.65 -19.63 0.93 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.385 1.874 . . . . 0.0 113.192 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.599 ' N ' ' HG ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.71 -1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 6.6 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -105.13 133.71 49.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.443 1.097 . . . . 0.0 109.883 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' CH2' ' HB3' ' A' ' 1' ' ' SER . 63.6 t-105 -71.4 124.99 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 -1.97 17.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -48.83 120.0 3.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.607 0.363 . . . . 0.0 110.905 167.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -82.76 150.15 26.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -137.36 127.68 26.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.973 0.909 . . . . 0.0 111.996 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.673 0.749 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.43 154.48 16.94 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.737 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -100.83 142.04 32.85 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -129.44 158.1 40.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 127.164 2.186 . . . . 0.0 108.508 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 121.554 -0.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.529 -0.175 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -73.68 134.93 43.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.622 0.769 . . . . 0.0 110.875 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -94.31 93.26 7.62 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -123.32 1.01 9.02 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 120.365 -1.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.472 0.654 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -79.67 140.52 37.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 170.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -96.82 103.35 15.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -117.51 133.37 56.03 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.844 1.658 . . . . 0.0 110.239 -170.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.904 -0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.568 0.223 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -113.49 139.46 48.93 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.194 0.998 . . . . 0.0 109.77 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -75.44 140.65 43.02 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -138.33 80.75 1.81 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.354 1.073 . . . . 0.0 112.948 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.306 -0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.939 0.4 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -98.01 140.16 32.76 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -80.83 146.62 30.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -135.66 148.64 49.02 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.541 . . . . 0.0 109.986 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.361 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 123.369 1.556 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -114.03 138.17 50.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.005 2.122 . . . . 0.0 109.09 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -78.04 147.96 34.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -136.82 96.66 3.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.823 1.649 . . . . 0.0 109.85 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 121.487 -0.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 121.97 0.89 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -70.74 126.56 29.94 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 120.59 -1.319 . . . . 0.0 114.163 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -78.74 92.84 4.84 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -129.49 -2.63 4.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.73 1.612 . . . . 0.0 114.134 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -76.93 123.62 26.56 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.189 0.596 . . . . 0.0 111.544 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -79.32 133.2 36.62 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -116.17 167.36 11.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 122.178 0.989 . . . . 0.0 112.528 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 121.537 -0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.537 0.684 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -57.39 106.81 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -120.24 148.58 43.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -142.06 149.99 40.65 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.254 0.622 . . . . 0.0 110.929 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.273 -0.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.46 111.13 9.34 Favored 'General case' 0 C--N 1.342 0.271 0 O-C-N 121.707 -0.621 . . . . 0.0 111.213 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -92.98 71.01 4.64 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -129.15 -11.11 4.71 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 122.007 0.908 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -85.81 152.3 23.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.116 1.766 . . . . 0.0 110.914 166.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -72.39 150.59 43.28 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -139.93 -18.84 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.667 1.587 . . . . 0.0 113.094 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -53.12 112.04 0.79 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -115.43 123.75 49.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -116.04 -1.37 12.5 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 171.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 120.548 -1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.0 m95 . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 119.703 -0.189 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.313 0.577 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' C ' HD22 ' A' ' 6' ' ' ASN . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.481 HD22 ' C ' ' A' ' 5' ' ' GLU 0.272 0.1 OUTLIER 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 . . . . . 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 . . . . . 0 CA--C 1.536 0.413 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.431 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 . . . . . 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.39 0.138 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 . . . . . 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.607 0.717 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.495 0.188 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 . . . . . 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 . . . . . 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 . . . . . 0 C--O 1.223 -0.337 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 . . . . . 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 . . . . . 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.376 0.608 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 . . . . . 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.519 0.676 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.06 127.13 32.12 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.257 -0.902 . . . . 0.0 111.062 170.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -128.77 147.45 50.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.627 1.571 . . . . 0.0 109.706 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -83.03 129.25 35.02 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.203 1.001 . . . . 0.0 112.977 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.07 122.7 15.17 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 31.17 71.16 0.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.748 2.819 . . . . 0.0 115.798 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.59 -2.26 83.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 117.931 -1.483 . . . . 0.0 115.637 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -138.83 169.45 17.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.818 1.809 . . . . 0.0 112.905 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -101.25 135.57 42.5 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -123.86 146.83 48.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.018 0.927 . . . . 0.0 110.233 169.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.12 100.44 11.72 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 110.327 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -99.78 134.75 42.22 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.397 1.879 . . . . 0.0 110.323 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.626 -1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -86.89 137.02 32.74 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.341 -0.849 . . . . 0.0 110.889 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -131.32 155.27 47.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.619 1.167 . . . . 0.0 111.541 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -86.0 138.31 32.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.563 1.173 . . . . 0.0 113.773 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.52 93.07 2.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.491 . . . . 0.0 108.804 -169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 29.8 62.76 0.16 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.072 2.549 . . . . 0.0 116.257 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 -13.21 58.42 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.056 -1.413 . . . . 0.0 114.755 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.35 172.63 11.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.521 1.66 . . . . 0.0 112.36 174.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -105.32 141.64 36.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.734 0.813 . . . . 0.0 108.866 168.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -122.45 138.55 54.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.571 1.548 . . . . 0.0 110.43 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -73.68 105.78 5.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.032 1.733 . . . . 0.0 111.829 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 51.55 0.84 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.98 1.712 . . . . 0.0 110.171 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.892 -1.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.21 141.33 28.64 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.848 -1.157 . . . . 0.0 111.075 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.72 148.59 44.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.674 0.789 . . . . 0.0 112.222 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -82.87 118.01 23.14 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.75 1.22 . . . . 0.0 112.887 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.13 128.54 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.341 1.856 . . . . 0.0 110.522 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t30 43.4 36.67 1.16 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 168.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.63 -1.61 55.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.01 1.291 . . . . 0.0 115.602 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -139.79 -179.51 5.98 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 119.185 1.492 . . . . 0.0 112.06 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -102.54 143.94 31.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 120.963 -1.085 . . . . 0.0 109.037 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -135.36 136.37 41.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.256 1.822 . . . . 0.0 108.792 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -69.25 161.76 28.56 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.56 -0.712 . . . . 0.0 111.197 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -127.71 135.57 50.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.863 1.665 . . . . 0.0 111.656 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 121.64 -0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.175 0.512 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -85.21 145.22 27.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.834 0.854 . . . . 0.0 112.287 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -130.63 138.91 50.32 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.439 1.896 . . . . 0.0 110.261 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -82.93 124.51 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.242 1.017 . . . . 0.0 111.322 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.13 143.54 29.39 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.045 -0.41 . . . . 0.0 110.381 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 50.22 18.78 0.44 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.53 8.31 52.59 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 119.913 1.233 . . . . 0.0 114.48 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -142.54 177.54 8.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.069 2.148 . . . . 0.0 109.596 -170.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -111.72 145.23 39.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.78 1.232 . . . . 0.0 110.321 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -138.26 149.54 45.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.817 0.847 . . . . 0.0 112.014 169.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -83.66 139.25 32.91 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.791 0.836 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -140.43 -5.49 1.23 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.373 0.606 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.63 147.72 26.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.396 1.078 . . . . 0.0 112.631 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -134.59 150.13 50.68 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.169 1.788 . . . . 0.0 111.001 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -88.02 136.0 33.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.451 1.1 . . . . 0.0 112.487 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -147.7 118.31 7.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.392 0.677 . . . . 0.0 110.455 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 47.3 43.92 15.5 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.14 -3.38 64.27 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 119.166 -0.797 . . . . 0.0 113.848 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -133.88 177.56 7.63 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.166 1.786 . . . . 0.0 111.288 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -115.72 147.4 40.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.252 1.421 . . . . 0.0 108.706 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -139.47 144.06 37.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.927 1.691 . . . . 0.0 111.286 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -79.11 151.52 31.33 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.395 1.078 . . . . 0.0 110.909 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -127.9 98.05 5.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.8 0.84 . . . . 0.0 111.761 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 13' ' ' NH2 . 3.9 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.579 0.704 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -72.94 126.1 29.14 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -125.26 157.44 36.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.511 1.924 . . . . 0.0 110.075 169.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -101.13 121.95 42.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.873 1.269 . . . . 0.0 112.106 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' C ' HD22 ' A' ' 6' ' ' ASN . 17.3 tp10 -142.37 157.63 44.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.644 0.778 . . . . 0.0 110.015 175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.481 HD22 ' C ' ' A' ' 5' ' ' GLU 0.272 0.1 OUTLIER 41.6 28.3 0.08 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 117.17 2.285 . . . . 0.0 117.17 169.975 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.2 -1.74 65.04 Favored Glycine 0 CA--C 1.541 1.697 0 N-CA-C 115.776 1.071 . . . . 0.0 115.776 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.54 162.3 35.41 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.887 1.843 . . . . 0.0 113.95 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -75.72 142.21 42.5 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.521 -0.737 . . . . 0.0 109.981 167.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -138.49 129.95 27.51 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.165 2.186 . . . . 0.0 108.438 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -78.59 106.83 10.83 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.18 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -139.65 -19.63 0.93 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.385 1.874 . . . . 0.0 113.192 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.599 ' N ' ' HG ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.71 -1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 6.6 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -105.13 133.71 49.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.443 1.097 . . . . 0.0 109.883 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -118.3 153.49 33.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.302 1.441 . . . . 0.0 111.097 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 72.5 t-105 -86.5 128.56 34.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.978 0.511 . . . . 0.0 111.029 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -141.79 121.97 13.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.466 1.506 . . . . 0.0 109.458 -174.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.01 34.68 5.82 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 171.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 93.56 3.76 64.43 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.629 -1.294 . . . . 0.0 115.159 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.06 140.44 34.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.305 1.553 . . . . 0.0 112.574 -168.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.84 137.62 41.97 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.477 -1.389 . . . . 0.0 110.852 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -140.05 127.06 20.86 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.819 1.648 . . . . 0.0 109.969 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' CH2' ' HB3' ' A' ' 1' ' ' SER . 63.6 t-105 -71.4 124.99 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.996 -1.065 . . . . 0.0 110.22 177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.14 -1.97 17.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -48.83 120.0 3.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.607 0.363 . . . . 0.0 110.905 167.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.7 m -120.55 143.16 48.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.749 2.02 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -92.35 120.43 32.87 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.223 1.009 . . . . 0.0 112.009 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.43 135.99 37.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.306 0.643 . . . . 0.0 110.309 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 33.33 44.79 0.07 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 128.088 2.555 . . . . 0.0 115.728 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.83 -0.56 55.22 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-O 118.164 -1.353 . . . . 0.0 115.965 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -136.98 168.95 18.61 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.69 1.745 . . . . 0.0 112.163 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -97.56 144.11 27.57 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.467 1.107 . . . . 0.0 108.784 167.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 t -128.56 141.66 51.3 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 109.849 170.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -82.76 150.15 26.83 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.356 0.662 . . . . 0.0 111.599 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -137.36 127.68 26.4 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.973 0.909 . . . . 0.0 111.996 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.673 0.749 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.43 154.48 16.94 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.737 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -141.0 123.5 15.93 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 127.362 2.265 . . . . 0.0 108.714 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -70.03 138.53 52.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 122.225 1.012 . . . . 0.0 112.661 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -139.23 95.55 2.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.892 1.677 . . . . 0.0 107.116 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 34.84 68.84 0.18 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.536 2.335 . . . . 0.0 114.69 170.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.69 -14.27 59.09 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.607 1.098 . . . . 0.0 114.741 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.27 -179.34 5.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.116 1.766 . . . . 0.0 110.875 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -120.43 149.4 42.43 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.728 1.611 . . . . 0.0 109.711 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -131.31 160.75 34.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.374 1.87 . . . . 0.0 110.126 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -100.83 142.04 32.85 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.337 -0.852 . . . . 0.0 112.86 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -129.44 158.1 40.14 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 127.164 2.186 . . . . 0.0 108.508 168.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 121.554 -0.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.529 -0.175 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -73.68 134.93 43.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.622 0.769 . . . . 0.0 110.875 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 p -128.19 139.87 52.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.939 2.096 . . . . 0.0 110.259 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -79.71 122.25 26.35 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.833 0.742 . . . . 0.0 112.116 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -139.11 122.69 17.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.075 1.35 . . . . 0.0 109.095 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 34.4 51.77 0.48 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.901 2.081 . . . . 0.0 115.732 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.2 -3.24 72.55 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.701 -1.055 . . . . 0.0 115.18 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.6 172.47 12.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.085 1.443 . . . . 0.0 111.333 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -98.6 135.63 39.85 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 p -114.26 148.84 36.81 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.927 1.691 . . . . 0.0 110.536 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -94.31 93.26 7.62 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -123.32 1.01 9.02 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 O-C-N 120.365 -1.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.472 0.654 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -79.67 140.52 37.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.956 0.407 . . . . 0.0 110.682 170.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 m -139.55 131.96 28.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -75.64 120.11 20.59 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.88 1.672 . . . . 0.0 113.14 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -135.68 123.57 22.65 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.602 0.761 . . . . 0.0 109.511 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 38.01 55.1 1.66 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.029 2.132 . . . . 0.0 115.196 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.54 81.14 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 118.631 -1.094 . . . . 0.0 114.775 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -130.4 178.55 6.51 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.91 1.684 . . . . 0.0 112.007 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -125.25 137.09 54.09 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.022 1.729 . . . . 0.0 108.7 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -133.17 156.9 46.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.82 0.848 . . . . 0.0 111.636 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -96.82 103.35 15.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.572 1.549 . . . . 0.0 109.42 -173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -117.51 133.37 56.03 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.844 1.658 . . . . 0.0 110.239 -170.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.904 -0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.568 0.223 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -113.49 139.46 48.93 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.194 0.998 . . . . 0.0 109.77 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -133.69 141.05 47.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.272 1.829 . . . . 0.0 110.251 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -92.32 122.68 35.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.911 0.884 . . . . 0.0 112.61 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -145.41 137.81 25.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.305 0.642 . . . . 0.0 111.59 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.253 0.3 OUTLIER 45.94 24.55 0.24 Allowed 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 172.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -2.75 46.76 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 126.261 1.886 . . . . 0.0 116.557 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -131.13 170.45 14.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.343 2.071 . . . . 0.0 113.039 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -88.97 146.7 24.72 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.014 167.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -136.11 139.83 43.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.73 1.212 . . . . 0.0 110.517 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -75.44 140.65 43.02 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 0.0 111.517 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -138.33 80.75 1.81 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.354 1.073 . . . . 0.0 112.948 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.306 -0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.939 0.4 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -98.01 140.16 32.76 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -128.86 143.66 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.198 2.199 . . . . 0.0 109.65 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -87.41 130.48 34.65 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.863 0.865 . . . . 0.0 110.791 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.44 110.7 3.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 119.105 -0.474 . . . . 0.0 110.399 -168.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t30 38.37 71.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.941 1.697 . . . . 0.0 113.928 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -4.73 76.91 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 125.33 1.443 . . . . 0.0 116.674 172.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -144.68 179.08 7.53 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.815 1.308 . . . . 0.0 111.985 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -101.7 140.65 35.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.377 1.071 . . . . 0.0 110.208 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -126.96 145.89 50.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.551 1.54 . . . . 0.0 110.72 172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -80.83 146.62 30.82 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.697 0.799 . . . . 0.0 110.431 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -135.66 148.64 49.02 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.541 . . . . 0.0 109.986 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.361 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 123.369 1.556 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -114.03 138.17 50.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.005 2.122 . . . . 0.0 109.09 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -129.09 157.04 42.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 167.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -86.54 134.09 33.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.37 1.068 . . . . 0.0 111.815 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.53 112.11 10.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.158 0.983 . . . . 0.0 109.948 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t30 27.47 72.0 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.778 2.031 . . . . 0.0 113.967 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -11.42 70.59 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-O 117.938 -1.479 . . . . 0.0 116.242 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -138.8 169.18 18.25 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 120.113 1.957 . . . . 0.0 112.419 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -107.58 134.19 50.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.35 1.46 . . . . 0.0 110.64 169.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 t -119.22 141.48 48.86 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.075 2.15 . . . . 0.0 110.657 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -78.04 147.96 34.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.412 0.685 . . . . 0.0 111.113 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -136.82 96.66 3.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.823 1.649 . . . . 0.0 109.85 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 121.487 -0.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 121.97 0.89 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -70.74 126.56 29.94 Favored 'General case' 0 C--O 1.223 -0.337 0 O-C-N 120.59 -1.319 . . . . 0.0 114.163 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -123.66 138.18 54.58 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.03 2.132 . . . . 0.0 109.699 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -84.3 125.07 31.92 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.493 1.517 . . . . 0.0 112.179 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.87 141.72 28.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 45.07 20.8 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 N-CA-C 118.444 2.757 . . . . 0.0 118.444 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 4.57 53.14 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.211 1.386 . . . . 0.0 115.143 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -137.39 -178.65 5.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.018 1.727 . . . . 0.0 110.919 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -108.67 143.49 37.68 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.983 1.713 . . . . 0.0 109.82 169.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -135.36 148.74 49.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.207 1.803 . . . . 0.0 110.189 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -78.74 92.84 4.84 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.27 -0.893 . . . . 0.0 110.007 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -129.49 -2.63 4.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.73 1.612 . . . . 0.0 114.134 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 121.354 0.597 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -76.93 123.62 26.56 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.189 0.596 . . . . 0.0 111.544 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.7 m -131.11 150.24 52.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.662 1.985 . . . . 0.0 109.241 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -101.89 127.65 48.62 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.008 -1.058 . . . . 0.0 113.259 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.74 104.48 6.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.12 1.368 . . . . 0.0 108.75 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 29.31 61.79 0.15 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.617 2.367 . . . . 0.0 115.734 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.76 -7.67 57.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.533 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 147.36 49.15 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.537 2.168 . . . . 0.0 111.694 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -83.2 141.88 31.59 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.994 0.902 . . . . 0.0 110.928 170.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -126.76 118.2 24.22 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 128.146 2.578 . . . . 0.0 108.042 -170.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -79.32 133.2 36.62 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -116.17 167.36 11.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 122.178 0.989 . . . . 0.0 112.528 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 121.537 -0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.537 0.684 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -57.39 106.81 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -114.59 125.91 54.31 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 130.274 3.43 . . . . 0.0 106.0 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -76.33 138.07 40.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.477 0.656 . . . . 0.0 112.381 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.16 110.65 4.69 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.619 0.767 . . . . 0.0 109.208 -173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 31.54 65.53 0.18 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.68 2.392 . . . . 0.0 115.446 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.63 -11.28 66.64 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-O 117.597 -1.668 . . . . 0.0 115.727 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -137.93 164.85 27.99 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.421 2.111 . . . . 0.0 113.603 -170.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -94.26 128.49 40.77 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 110.688 170.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 t -125.78 168.06 14.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.227 1.411 . . . . 0.0 111.729 170.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -120.24 148.58 43.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.603 1.961 . . . . 0.0 110.779 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -142.06 149.99 40.65 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.254 0.622 . . . . 0.0 110.929 166.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.273 -0.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.46 111.13 9.34 Favored 'General case' 0 C--N 1.342 0.271 0 O-C-N 121.707 -0.621 . . . . 0.0 111.213 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 p -104.0 129.22 51.59 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 127.725 2.41 . . . . 0.0 108.969 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -74.8 123.08 24.35 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.547 -0.721 . . . . 0.0 110.541 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -138.66 124.75 20.14 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.852 1.661 . . . . 0.0 109.947 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.37 21.92 7.32 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 -1.18 53.4 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 119.45 1.023 . . . . 0.0 114.288 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -136.5 143.3 43.7 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.993 1.397 . . . . 0.0 111.993 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.55 135.02 45.51 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.298 -1.501 . . . . 0.0 111.181 168.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.3 p -128.14 144.65 51.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.167 2.187 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -92.98 71.01 4.64 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.694 1.134 . . . . 0.0 111.054 -175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -129.15 -11.11 4.71 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 122.007 0.908 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -85.81 152.3 23.13 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 126.116 1.766 . . . . 0.0 110.914 166.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.2 m -140.44 131.29 25.95 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.95 1.7 . . . . 0.0 110.02 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -71.53 116.73 12.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.635 1.174 . . . . 0.0 110.648 173.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -126.36 116.3 20.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.751 1.22 . . . . 0.0 110.057 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 t30 29.23 72.24 0.05 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.759 2.824 . . . . 0.0 115.019 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.05 -22.66 38.5 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.012 1.291 . . . . 0.0 115.09 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -134.17 174.52 10.41 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.467 1.133 . . . . 0.0 112.518 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -97.89 153.17 18.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 167.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -138.95 144.94 39.23 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.056 1.743 . . . . 0.0 109.045 170.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -72.39 150.59 43.28 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -139.93 -18.84 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.667 1.587 . . . . 0.0 113.094 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -53.12 112.04 0.79 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.437 0.636 . . . . 0.0 111.453 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -124.35 148.06 47.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.898 2.479 . . . . 0.0 108.164 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -86.19 130.32 34.56 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.3 97.49 5.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.74 1.616 . . . . 0.0 109.786 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 29.15 65.91 0.11 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 128.093 2.557 . . . . 0.0 115.706 168.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.92 55.72 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.137 1.827 . . . . 0.0 115.636 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.1 147.14 52.58 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.859 1.83 . . . . 0.0 111.734 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -88.55 130.94 35.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.87 -1.144 . . . . 0.0 109.39 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -125.7 159.24 32.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.829 2.052 . . . . 0.0 110.085 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -115.43 123.75 49.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.327 1.451 . . . . 0.0 110.331 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -116.04 -1.37 12.5 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 171.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 120.548 -1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_