data_2mpj_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 2mpj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.107 0.48 . . . . 0.28 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.56 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 4.18 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.58 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 3.37 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.23 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 3.01 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 1.19 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.99 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.96 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.86 110.323 178.093 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.899 -0.408 . . . . 0.28 109.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.56 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 4.18 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.58 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 3.37 109.955 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.64 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.23 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 3.01 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 1.19 114.477 -169.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.99 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.96 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.64 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.86 111.038 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.972 0.415 . . . . 0.28 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.56 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 4.18 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.58 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 3.37 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.636 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.23 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 3.01 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.581 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 1.19 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.99 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.96 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.636 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.86 111.536 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.28 109.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.56 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 4.18 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.58 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 3.37 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.648 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.23 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 3.01 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 1.19 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.99 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.96 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.648 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.86 111.043 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.79 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.037 -0.727 . . . . 0.28 109.037 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.56 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 4.18 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.58 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 3.37 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34 112.827 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.23 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 3.01 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.79 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 1.19 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.99 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.96 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.637 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.86 110.878 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 109.985 -0.376 . . . . 0.28 109.985 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.56 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 4.18 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.58 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 3.37 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.695 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.23 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 3.01 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 1.19 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.99 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.96 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.695 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.86 110.363 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.28 109.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.56 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 4.18 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.58 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 3.37 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.618 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.23 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 3.01 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 1.19 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.99 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.96 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m . . . . . 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.86 110.132 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.449 -0.575 . . . . 0.28 109.449 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.56 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 4.18 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.58 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 3.37 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.23 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 3.01 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 1.19 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.99 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.96 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m . . . . . 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.86 110.399 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 110.33 -0.248 . . . . 0.28 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.56 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 4.18 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.58 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 3.37 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.599 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.23 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 3.01 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 1.19 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.99 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.96 111.702 -175.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.599 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.86 109.837 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 2.0 t . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.979 0.418 . . . . 0.28 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.56 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 4.18 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.58 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 3.37 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.607 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.23 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.01 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 1.19 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.99 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.96 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.86 110.089 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.441 -0.919 0 CA-C-O 121.098 0.475 . . . . 0.28 110.782 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.56 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 4.18 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.58 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 3.37 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.536 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.23 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 3.01 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 1.19 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.99 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.96 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.86 110.144 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.015 0.436 . . . . 0.28 110.659 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.56 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 4.18 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.58 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 3.37 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.664 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.23 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 3.01 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.682 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 1.19 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.99 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.96 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.664 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.86 110.405 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.023 0.44 . . . . 0.28 110.098 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.56 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 4.18 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.58 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 3.37 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.23 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 3.01 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 1.19 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.99 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.96 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.86 110.138 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.783 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 109.271 -0.64 . . . . 0.28 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.56 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 4.18 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.58 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 3.37 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34 112.398 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.657 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.23 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 3.01 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.783 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 1.19 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.99 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.96 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.657 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.86 110.159 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 120.741 0.305 . . . . 0.28 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.56 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 4.18 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.58 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 3.37 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.23 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 3.01 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 1.19 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.99 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.96 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m . . . . . 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.86 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.964 0.411 . . . . 9.06 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.17 10.93 35.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 9.67 110.614 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t -147.46 -174.81 4.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.884 -0.784 . . . . 4.71 108.884 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 42.37 3.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.889 -0.672 . . . . 2.74 111.58 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.61 70.22 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.802 0.811 . . . . 2.88 111.209 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -88.06 116.05 25.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 1.94 109.449 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t -77.61 98.22 5.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.804 -0.634 . . . . 0.28 110.366 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.56 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 4.18 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.58 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 3.37 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.23 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 3.01 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 1.19 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.99 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.96 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.43 138.81 91.58 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.86 110.323 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.8 121.96 8.1 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.377 2.052 . . . . 1.44 111.933 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.85 -0.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.167 -1.016 . . . . 2.56 113.805 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -67.23 -54.83 17.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.374 0.587 . . . . 5.23 109.513 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.52 99.32 49.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.827 -0.805 . . . . 6.88 108.827 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.145 2.563 . . . . 8.49 112.537 -178.005 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.112 -0.329 . . . . 9.06 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.49 82.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 9.67 110.717 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -125.41 15.96 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.387 0.613 . . . . 4.71 109.613 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 40.39 2.43 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.493 -0.776 . . . . 2.74 111.63 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -99.7 97.58 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 2.88 109.396 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.591 HG23 ' SD ' ' A' ' 13' ' ' MET . 15.3 p -98.74 135.89 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.45 -0.341 . . . . 1.94 111.441 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -111.97 97.44 6.68 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.899 -0.408 . . . . 0.28 109.899 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.56 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 4.18 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.58 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' HG23 ' A' ' 6' ' ' THR . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 3.37 109.955 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.64 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.23 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 3.01 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 1.19 114.477 -169.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.99 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.96 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.64 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -62.72 125.94 87.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.86 111.038 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.26 175.32 11.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.889 2.393 . . . . 1.44 112.672 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.62 -62.98 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.145 -0.55 . . . . 2.56 111.997 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 m -95.69 -40.49 9.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 5.23 110.638 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.0 145.28 99.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 6.88 111.106 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 122.691 2.261 . . . . 8.49 112.121 178.213 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.574 0.226 . . . . 9.06 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -70.42 -29.88 66.6 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.144 0.497 . . . . 9.67 111.003 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -100.85 19.41 17.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.987 -0.551 . . . . 4.71 111.012 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.32 -127.7 9.19 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.377 -0.916 . . . . 2.74 112.269 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.18 105.62 11.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.685 0.243 . . . . 2.88 110.564 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.76 143.76 25.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.132 0.491 . . . . 1.94 110.859 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.581 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -107.08 98.35 8.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.536 -0.756 . . . . 0.28 110.077 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.56 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 4.18 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.58 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 3.37 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.636 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.23 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 3.01 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.581 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 1.19 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.99 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.96 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.636 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m -59.36 126.41 82.04 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.86 111.536 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.04 120.72 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.496 1.464 . . . . 1.44 109.913 168.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.13 -50.56 0.87 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.651 -0.979 . . . . 2.56 110.651 -171.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 p -89.93 -27.61 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 5.23 109.069 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.52 113.99 27.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.071 -0.968 . . . . 6.88 109.748 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.633 2.222 . . . . 8.49 112.12 176.634 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.807 -0.442 . . . . 9.06 109.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.563 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 30.3 mmt180 55.76 41.23 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.358 0.599 . . . . 9.67 111.336 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -150.39 -21.22 0.24 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 4.71 110.162 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.6 39.19 2.42 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.67 . . . . 2.74 111.567 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' OD2' ' HA ' ' A' ' 2' ' ' ARG . 12.9 m-20 -78.86 86.9 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.83 -0.434 . . . . 2.88 109.83 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -82.73 115.09 21.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.081 -0.508 . . . . 1.94 110.604 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -99.76 97.61 8.52 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.28 109.944 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.56 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 4.18 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.58 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 3.37 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.648 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.23 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 3.01 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 1.19 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.99 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.96 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.648 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m -61.31 120.72 57.67 Favored Pre-proline 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.86 111.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.79 151.35 32.88 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.969 2.446 . . . . 1.44 112.219 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.87 24.34 6.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.715 -0.755 . . . . 2.56 111.851 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.8 t -98.67 100.02 11.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.178 -0.675 . . . . 5.23 109.178 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 30.2 m -76.85 140.11 66.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.204 -0.453 . . . . 6.88 110.998 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 12.3 Cg_endo . . . . . 0 C--O 1.248 0.999 0 C-N-CA 123.246 2.631 . . . . 8.49 112.048 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.744 0.307 . . . . 9.06 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -82.83 82.69 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 9.67 110.601 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.555 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 22.1 t -121.2 3.77 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.226 0.536 . . . . 4.71 110.122 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.46 47.01 1.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 2.74 112.224 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.25 143.27 51.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.644 -0.502 . . . . 2.88 109.644 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -84.11 140.27 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.499 0.666 . . . . 1.94 111.959 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.79 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t -95.43 98.28 10.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.94 . . . . 0.28 109.037 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.56 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 4.18 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.58 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 3.37 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' HA2' ' O ' ' A' ' 3' ' ' SER . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34 112.827 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.637 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.23 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 3.01 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.79 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 1.19 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.99 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.96 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.637 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m -60.98 114.98 11.95 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.86 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.61 153.35 26.56 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.554 2.169 . . . . 1.44 112.778 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.08 89.17 1.38 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.887 -0.673 . . . . 2.56 111.429 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -81.34 55.25 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.124 0.487 . . . . 5.23 110.934 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -128.59 153.01 79.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.556 . . . . 6.88 110.439 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 122.382 2.055 . . . . 8.49 111.964 175.582 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.306 0.574 . . . . 9.06 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -108.4 32.22 4.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.577 . . . . 9.67 110.122 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -119.58 28.62 8.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.831 -0.622 . . . . 4.71 110.56 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 -4.46 10.93 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.624 -0.798 . . . . 2.74 112.597 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.77 70.12 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.813 0.816 . . . . 2.88 110.614 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -120.55 115.4 23.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.267 -0.879 . . . . 1.94 109.779 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t -91.29 98.01 11.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.371 -0.377 . . . . 0.28 109.985 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.56 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 4.18 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.58 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 3.37 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.695 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.23 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 3.01 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 1.19 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.99 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.96 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.695 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m -59.58 137.9 89.55 Favored Pre-proline 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.86 110.363 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.87 121.69 10.08 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.25 1.967 . . . . 1.44 111.721 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.98 -23.01 8.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.769 -0.729 . . . . 2.56 112.195 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -84.75 53.07 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.283 0.563 . . . . 5.23 110.226 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -122.67 138.48 29.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.667 -0.697 . . . . 6.88 110.677 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.658 2.239 . . . . 8.49 112.117 178.08 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.556 0.217 . . . . 9.06 110.527 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 64.19 32.89 12.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.896 -0.593 . . . . 9.67 110.757 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -150.56 38.18 0.69 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.36 -0.836 . . . . 4.71 109.527 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.57 25.68 27.18 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.522 -0.763 . . . . 2.74 112.153 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.77 70.61 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.368 0.604 . . . . 2.88 109.601 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -92.3 127.57 37.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.62 -0.718 . . . . 1.94 111.08 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.44 96.81 8.96 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.28 109.234 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.56 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 4.18 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.58 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 3.37 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.618 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.23 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 3.01 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 1.19 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.99 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.96 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m -61.95 118.59 40.43 Favored Pre-proline 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.86 110.132 177.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 122.96 12.57 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.825 2.35 . . . . 1.44 112.245 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -38.41 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.973 -0.632 . . . . 2.56 112.081 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -86.62 -21.25 26.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.041 0.448 . . . . 5.23 110.003 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.35 138.28 8.73 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 6.88 109.443 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.415 2.077 . . . . 8.49 112.189 175.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 121.036 0.446 . . . . 9.06 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -90.76 53.83 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 9.67 109.878 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -144.8 24.01 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.666 -0.697 . . . . 4.71 110.233 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.03 20.86 39.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.619 -0.8 . . . . 2.74 112.379 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.52 134.88 42.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.484 -0.562 . . . . 2.88 109.484 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -88.99 135.5 33.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.116 0.484 . . . . 1.94 111.212 -177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -100.67 97.98 8.58 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.449 -0.575 . . . . 0.28 109.449 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.56 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 4.18 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.58 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 3.37 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.23 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 3.01 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 1.19 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.99 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.96 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m -64.42 123.09 81.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.86 110.399 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.62 120.69 8.75 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.177 1.918 . . . . 1.44 111.462 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.23 -27.62 5.8 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.631 -0.795 . . . . 2.56 112.188 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 m -79.58 59.64 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.294 0.569 . . . . 5.23 110.886 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 103.71 28.04 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 6.88 109.597 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.753 2.302 . . . . 8.49 112.004 179.691 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.672 0.273 . . . . 9.06 110.577 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.81 160.16 20.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.872 -0.418 . . . . 9.67 109.872 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -149.25 162.97 38.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.786 0.327 . . . . 4.71 110.488 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 -76.8 0.32 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.548 -0.621 . . . . 2.74 111.548 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.73 83.25 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.929 -0.396 . . . . 2.88 109.929 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -87.72 115.9 25.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.707 -0.679 . . . . 1.94 110.682 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.94 98.55 8.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.562 -0.29 . . . . 0.28 110.33 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.56 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 4.18 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.58 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 3.37 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.599 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.23 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 3.01 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 1.19 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.99 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.96 111.702 -175.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.599 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m -55.56 129.17 69.74 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.86 109.837 174.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.05 120.92 9.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 121.868 1.712 . . . . 1.44 111.475 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.99 10.54 61.15 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.811 -0.709 . . . . 2.56 112.702 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.0 t -91.09 -22.0 20.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.09 0.471 . . . . 5.23 110.281 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.29 94.82 47.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 6.88 109.982 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 122.796 2.33 . . . . 8.49 111.7 177.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.656 0.265 . . . . 9.06 110.571 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -161.52 34.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.614 -0.266 . . . . 9.67 110.699 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p 46.02 -92.95 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.066 0.854 . . . . 4.71 112.021 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 19.51 0.71 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.457 -1.057 . . . . 2.74 110.457 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.91 72.65 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.32 0.581 . . . . 2.88 109.985 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -106.8 128.33 54.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.386 -0.824 . . . . 1.94 110.633 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 2.0 t -100.39 97.76 8.47 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.265 -0.425 . . . . 0.28 110.571 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.56 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 4.18 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.58 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 3.37 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.607 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.23 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.01 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 1.19 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.99 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.96 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m -64.52 122.97 81.47 Favored Pre-proline 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.86 110.089 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 121.32 9.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.188 1.925 . . . . 1.44 111.725 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.23 -43.64 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.276 -0.73 . . . . 2.56 111.276 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.5 m -80.91 53.87 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.245 0.545 . . . . 5.23 110.262 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 29.6 m -88.62 142.07 30.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 6.88 110.267 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.526 2.15 . . . . 8.49 111.726 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.652 0.263 . . . . 9.06 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -83.6 67.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.469 0.652 . . . . 9.67 110.75 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -143.21 15.15 1.86 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.476 0.655 . . . . 4.71 109.635 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 22.84 37.63 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.387 -0.824 . . . . 2.74 112.632 -176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -81.77 68.85 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.069 0.938 . . . . 2.88 109.838 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -127.22 136.16 51.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.583 -1.189 . . . . 1.94 109.636 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -114.85 97.05 6.03 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.098 0.475 . . . . 0.28 110.782 -173.082 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.56 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 4.18 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.58 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 3.37 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.536 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.23 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 3.01 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.548 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 1.19 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.99 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.96 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m -58.72 121.1 51.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.86 110.144 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.5 142.38 40.41 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.296 1.997 . . . . 1.44 112.569 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.33 -5.9 89.05 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.99 -0.55 . . . . 2.56 112.552 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -61.73 -40.85 96.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.39 . . . . 5.23 111.046 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.48 159.23 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.225 -0.443 . . . . 6.88 110.368 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.248 1.015 0 C-N-CA 122.78 2.32 . . . . 8.49 112.079 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.577 0.227 . . . . 9.06 110.659 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.06 105.83 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 9.67 110.198 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -134.13 45.39 2.62 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.982 -0.747 . . . . 4.71 108.982 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.05 -173.95 20.27 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.37 -0.832 . . . . 2.74 111.274 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.8 155.6 29.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.605 -0.517 . . . . 2.88 109.605 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.23 116.12 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.538 0.685 . . . . 1.94 110.137 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t -82.0 97.71 8.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.141 -0.936 . . . . 0.28 110.659 -168.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.56 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 4.18 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.58 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 3.37 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.664 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.23 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 3.01 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 1.19 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.99 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.96 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.664 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m -60.81 142.24 92.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.86 110.405 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.51 137.02 45.07 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.467 2.112 . . . . 1.44 112.069 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.69 -7.29 88.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.011 -0.614 . . . . 2.56 112.123 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -69.21 103.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.9 0.381 . . . . 5.23 110.839 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.98 153.99 52.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.031 -0.531 . . . . 6.88 110.565 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 C--O 1.25 1.095 0 C-N-CA 122.549 2.166 . . . . 8.49 111.925 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.606 0.241 . . . . 9.06 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -126.74 54.75 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.909 0.385 . . . . 9.67 110.401 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -123.26 100.61 6.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 4.71 110.882 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.46 41.89 2.23 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.822 -0.704 . . . . 2.74 111.692 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -78.1 92.11 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.661 -0.496 . . . . 2.88 109.661 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p -108.91 140.28 42.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.111 0.481 . . . . 1.94 111.412 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t -110.35 98.15 7.44 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.28 110.098 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.56 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 4.18 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.58 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 3.37 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.23 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 3.01 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 1.19 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.99 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.96 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t -78.72 134.1 61.55 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.86 110.138 -175.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.87 123.15 10.09 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.315 2.01 . . . . 1.44 111.987 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.51 35.67 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.738 -0.744 . . . . 2.56 111.986 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 t -135.66 55.64 1.86 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.452 0.644 . . . . 5.23 109.413 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -95.03 153.8 39.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.814 -0.63 . . . . 6.88 110.48 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.721 2.28 . . . . 8.49 111.607 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.243 -0.28 . . . . 9.06 110.243 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -147.04 63.94 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.391 0.615 . . . . 9.67 109.749 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -156.06 -177.23 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.497 -0.774 . . . . 4.71 109.684 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 14' ' ' GLY . . . 101.0 60.54 0.8 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.436 -0.888 . . . . 2.74 111.687 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -80.1 153.23 28.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.768 0.318 . . . . 2.88 110.196 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -82.96 119.57 24.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.22 0.533 . . . . 1.94 110.591 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.783 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t -90.16 96.77 10.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.668 -0.696 . . . . 0.28 109.271 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.56 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 4.18 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.58 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 3.37 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 4' ' ' GLY . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34 112.398 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.657 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.23 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 3.01 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.783 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 1.19 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.99 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.96 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.657 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -61.68 129.33 91.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.86 110.159 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.52 148.16 37.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.345 2.03 . . . . 1.44 112.675 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.67 36.45 3.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.057 -0.592 . . . . 2.56 112.08 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -79.3 -25.52 42.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.362 0.601 . . . . 5.23 109.466 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 m -125.23 132.35 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.6 -0.727 . . . . 6.88 110.049 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.84 2.36 . . . . 8.49 112.307 -177.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.5 m120 . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.955 -0.387 . . . . 9.06 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 59.25 45.22 14.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.401 0.62 . . . . 9.67 109.97 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -148.05 51.27 1.03 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.094 -0.957 . . . . 4.71 110.449 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.29 -14.15 82.85 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 120.938 -0.648 . . . . 2.74 113.271 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -84.95 73.94 10.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.663 -0.495 . . . . 2.88 109.663 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 p -98.57 137.81 36.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 1.94 110.972 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t -106.41 97.58 7.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.085 -0.507 . . . . 0.28 110.315 -176.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.56 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 4.18 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.58 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 3.37 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.23 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 3.01 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 1.19 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.99 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.96 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m -60.15 127.38 85.91 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.86 110.731 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.46 141.5 72.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.906 2.404 . . . . 1.44 112.254 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.74 41.95 2.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.683 -0.77 . . . . 2.56 111.77 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -116.68 119.81 36.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.089 -0.337 . . . . 5.23 110.089 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.35 139.16 94.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 6.88 111.906 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--O 1.247 0.946 0 C-N-CA 122.821 2.348 . . . . 8.49 112.19 179.465 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.107 0.48 . . . . 0.27000000000000002 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.46999999999999997 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 3.3799999999999999 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.23000000000000001 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 2.8700000000000001 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34000000000000002 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.22 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 2.5600000000000001 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 0.58999999999999997 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.47 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.2799999999999998 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.56000000000000005 110.323 178.093 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.899 -0.408 . . . . 0.27000000000000002 109.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.46999999999999997 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 3.3799999999999999 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.23000000000000001 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 2.8700000000000001 109.955 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34000000000000002 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.646 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.22 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 2.5600000000000001 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 0.58999999999999997 114.477 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.47 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.2799999999999998 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.56000000000000005 111.038 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.972 0.415 . . . . 0.27000000000000002 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.46999999999999997 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 3.3799999999999999 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.23000000000000001 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 2.8700000000000001 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34000000000000002 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.22 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 2.5600000000000001 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.599 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 0.58999999999999997 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.47 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.2799999999999998 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.642 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.56000000000000005 111.536 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.27000000000000002 109.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.46999999999999997 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 3.3799999999999999 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.23000000000000001 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 2.8700000000000001 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34000000000000002 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.658 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.22 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 2.5600000000000001 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 0.58999999999999997 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.47 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.2799999999999998 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.658 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.56000000000000005 111.043 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.812 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.037 -0.727 . . . . 0.27000000000000002 109.037 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.46999999999999997 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 3.3799999999999999 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.23000000000000001 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 2.8700000000000001 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34000000000000002 112.827 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.641 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.22 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 2.5600000000000001 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.812 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 0.58999999999999997 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.47 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.2799999999999998 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.641 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.56000000000000005 110.878 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 109.985 -0.376 . . . . 0.27000000000000002 109.985 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.46999999999999997 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 3.3799999999999999 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.23000000000000001 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 2.8700000000000001 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34000000000000002 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.702 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.22 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 2.5600000000000001 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.539 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 0.58999999999999997 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.47 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.2799999999999998 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.702 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.56000000000000005 110.363 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.27000000000000002 109.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.46999999999999997 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 3.3799999999999999 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.23000000000000001 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 2.8700000000000001 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34000000000000002 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.22 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 2.5600000000000001 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 0.58999999999999997 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.47 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.2799999999999998 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m . . . . . 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.56000000000000005 110.132 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.449 -0.575 . . . . 0.27000000000000002 109.449 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.46999999999999997 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 3.3799999999999999 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.23000000000000001 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 2.8700000000000001 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34000000000000002 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.647 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.22 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 2.5600000000000001 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 0.58999999999999997 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.47 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.2799999999999998 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.647 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m . . . . . 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.56000000000000005 110.399 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 110.33 -0.248 . . . . 0.27000000000000002 110.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.46999999999999997 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 3.3799999999999999 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.23000000000000001 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 2.8700000000000001 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34000000000000002 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.22 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 2.5600000000000001 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 0.58999999999999997 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.47 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.2799999999999998 111.702 -175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.56000000000000005 109.837 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.979 0.418 . . . . 0.27000000000000002 110.571 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.46999999999999997 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 3.3799999999999999 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.23000000000000001 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 2.8700000000000001 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34000000000000002 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.62 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.22 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 2.5600000000000001 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 0.58999999999999997 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.47 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.2799999999999998 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.56000000000000005 110.089 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.441 -0.919 0 CA-C-O 121.098 0.475 . . . . 0.27000000000000002 110.782 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.46999999999999997 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 3.3799999999999999 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.23000000000000001 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 2.8700000000000001 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34000000000000002 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.539 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.22 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 2.5600000000000001 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 0.58999999999999997 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.47 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.2799999999999998 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.539 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.56000000000000005 110.144 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.015 0.436 . . . . 0.27000000000000002 110.659 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.46999999999999997 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 3.3799999999999999 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.23000000000000001 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 2.8700000000000001 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34000000000000002 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.667 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.22 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 2.5600000000000001 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.709 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 0.58999999999999997 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.47 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.2799999999999998 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.56000000000000005 110.405 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.023 0.44 . . . . 0.27000000000000002 110.098 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.46999999999999997 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 3.3799999999999999 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.23000000000000001 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 2.8700000000000001 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34000000000000002 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.22 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 2.5600000000000001 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 0.58999999999999997 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.47 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.2799999999999998 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.56000000000000005 110.138 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.807 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 109.271 -0.64 . . . . 0.27000000000000002 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.46999999999999997 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 3.3799999999999999 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.23000000000000001 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 2.8700000000000001 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34000000000000002 112.398 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.668 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.22 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 2.5600000000000001 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 0.58999999999999997 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.47 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.2799999999999998 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.668 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.56000000000000005 110.159 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 120.741 0.305 . . . . 0.27000000000000002 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.46999999999999997 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 3.3799999999999999 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.23000000000000001 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 2.8700000000000001 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34000000000000002 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.22 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 2.5600000000000001 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 0.58999999999999997 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.47 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.2799999999999998 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m . . . . . 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.56000000000000005 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.964 0.411 . . . . 8.4299999999999997 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.17 10.93 35.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 8.9199999999999999 110.614 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t -147.46 -174.81 4.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.884 -0.784 . . . . 4.6699999999999999 108.884 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 42.37 3.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.889 -0.672 . . . . 2.2000000000000002 111.58 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.61 70.22 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.802 0.811 . . . . 2.8799999999999999 111.209 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -88.06 116.05 25.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 1.26 109.449 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t -77.61 98.22 5.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.804 -0.634 . . . . 0.27000000000000002 110.366 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.46999999999999997 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 3.3799999999999999 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.23000000000000001 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 2.8700000000000001 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34000000000000002 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.22 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 2.5600000000000001 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 0.58999999999999997 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.47 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.2799999999999998 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.43 138.81 91.58 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.56000000000000005 110.323 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.8 121.96 8.1 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.377 2.052 . . . . 1.0800000000000001 111.933 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.85 -0.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.167 -1.016 . . . . 2.5600000000000001 113.805 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -67.23 -54.83 17.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.374 0.587 . . . . 5.1900000000000004 109.513 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.52 99.32 49.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.827 -0.805 . . . . 6.29 108.827 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.145 2.563 . . . . 8.3900000000000006 112.537 -178.005 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.112 -0.329 . . . . 8.4299999999999997 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.49 82.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 8.9199999999999999 110.717 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -125.41 15.96 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.387 0.613 . . . . 4.6699999999999999 109.613 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 40.39 2.43 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.493 -0.776 . . . . 2.2000000000000002 111.63 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -99.7 97.58 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 2.8799999999999999 109.396 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' SD ' ' A' ' 13' ' ' MET . 15.3 p -98.74 135.89 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.45 -0.341 . . . . 1.26 111.441 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t -111.97 97.44 6.68 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.899 -0.408 . . . . 0.27000000000000002 109.899 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.46999999999999997 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 3.3799999999999999 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.23000000000000001 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 6' ' ' THR . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 2.8700000000000001 109.955 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34000000000000002 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.646 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.22 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 2.5600000000000001 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 0.58999999999999997 114.477 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.47 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.2799999999999998 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -62.72 125.94 87.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.56000000000000005 111.038 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.26 175.32 11.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.889 2.393 . . . . 1.0800000000000001 112.672 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.62 -62.98 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.145 -0.55 . . . . 2.5600000000000001 111.997 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 m -95.69 -40.49 9.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 5.1900000000000004 110.638 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.0 145.28 99.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 6.29 111.106 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 122.691 2.261 . . . . 8.3900000000000006 112.121 178.213 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.574 0.226 . . . . 8.4299999999999997 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -70.42 -29.88 66.6 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.144 0.497 . . . . 8.9199999999999999 111.003 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -100.85 19.41 17.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.987 -0.551 . . . . 4.6699999999999999 111.012 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.32 -127.7 9.19 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.377 -0.916 . . . . 2.2000000000000002 112.269 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.18 105.62 11.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.685 0.243 . . . . 2.8799999999999999 110.564 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.76 143.76 25.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.132 0.491 . . . . 1.26 110.859 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -107.08 98.35 8.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.536 -0.756 . . . . 0.27000000000000002 110.077 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.46999999999999997 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 3.3799999999999999 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.23000000000000001 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 2.8700000000000001 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34000000000000002 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.22 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 2.5600000000000001 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.599 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 0.58999999999999997 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.47 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.2799999999999998 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.642 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m -59.36 126.41 82.04 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.56000000000000005 111.536 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.04 120.72 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.496 1.464 . . . . 1.0800000000000001 109.913 168.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.13 -50.56 0.87 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.651 -0.979 . . . . 2.5600000000000001 110.651 -171.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 p -89.93 -27.61 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 5.1900000000000004 109.069 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.52 113.99 27.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.071 -0.968 . . . . 6.29 109.748 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.633 2.222 . . . . 8.3900000000000006 112.12 176.634 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.807 -0.442 . . . . 8.4299999999999997 109.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.569 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 30.3 mmt180 55.76 41.23 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.358 0.599 . . . . 8.9199999999999999 111.336 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -150.39 -21.22 0.24 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 4.6699999999999999 110.162 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.6 39.19 2.42 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.67 . . . . 2.2000000000000002 111.567 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' OD2' ' HA ' ' A' ' 2' ' ' ARG . 12.9 m-20 -78.86 86.9 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.83 -0.434 . . . . 2.8799999999999999 109.83 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -82.73 115.09 21.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.081 -0.508 . . . . 1.26 110.604 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -99.76 97.61 8.52 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.27000000000000002 109.944 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.46999999999999997 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 3.3799999999999999 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.23000000000000001 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 2.8700000000000001 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34000000000000002 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.658 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.22 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 2.5600000000000001 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 0.58999999999999997 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.47 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.2799999999999998 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.658 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m -61.31 120.72 57.67 Favored Pre-proline 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.56000000000000005 111.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.79 151.35 32.88 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.969 2.446 . . . . 1.0800000000000001 112.219 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.87 24.34 6.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.715 -0.755 . . . . 2.5600000000000001 111.851 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.8 t -98.67 100.02 11.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.178 -0.675 . . . . 5.1900000000000004 109.178 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 30.2 m -76.85 140.11 66.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.204 -0.453 . . . . 6.29 110.998 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 12.3 Cg_endo . . . . . 0 C--O 1.248 0.999 0 C-N-CA 123.246 2.631 . . . . 8.3900000000000006 112.048 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.744 0.307 . . . . 8.4299999999999997 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -82.83 82.69 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 8.9199999999999999 110.601 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.56 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 22.1 t -121.2 3.77 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.226 0.536 . . . . 4.6699999999999999 110.122 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.46 47.01 1.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 2.2000000000000002 112.224 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.25 143.27 51.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.644 -0.502 . . . . 2.8799999999999999 109.644 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -84.11 140.27 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.499 0.666 . . . . 1.26 111.959 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.812 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t -95.43 98.28 10.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.94 . . . . 0.27000000000000002 109.037 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.46999999999999997 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 3.3799999999999999 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.23000000000000001 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 2.8700000000000001 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.56 ' HA2' ' O ' ' A' ' 3' ' ' SER . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34000000000000002 112.827 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.641 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.22 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 2.5600000000000001 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.812 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 0.58999999999999997 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.47 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.2799999999999998 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.641 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m -60.98 114.98 11.95 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.56000000000000005 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.61 153.35 26.56 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.554 2.169 . . . . 1.0800000000000001 112.778 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.08 89.17 1.38 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.887 -0.673 . . . . 2.5600000000000001 111.429 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -81.34 55.25 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.124 0.487 . . . . 5.1900000000000004 110.934 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -128.59 153.01 79.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.556 . . . . 6.29 110.439 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 122.382 2.055 . . . . 8.3900000000000006 111.964 175.582 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.306 0.574 . . . . 8.4299999999999997 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -108.4 32.22 4.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.577 . . . . 8.9199999999999999 110.122 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -119.58 28.62 8.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.831 -0.622 . . . . 4.6699999999999999 110.56 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 -4.46 10.93 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.624 -0.798 . . . . 2.2000000000000002 112.597 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.77 70.12 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.813 0.816 . . . . 2.8799999999999999 110.614 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -120.55 115.4 23.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.267 -0.879 . . . . 1.26 109.779 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t -91.29 98.01 11.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.371 -0.377 . . . . 0.27000000000000002 109.985 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.46999999999999997 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 3.3799999999999999 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.23000000000000001 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 2.8700000000000001 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34000000000000002 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.702 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.22 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 2.5600000000000001 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.539 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 0.58999999999999997 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.47 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.2799999999999998 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.702 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m -59.58 137.9 89.55 Favored Pre-proline 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.56000000000000005 110.363 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.87 121.69 10.08 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.25 1.967 . . . . 1.0800000000000001 111.721 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.98 -23.01 8.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.769 -0.729 . . . . 2.5600000000000001 112.195 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -84.75 53.07 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.283 0.563 . . . . 5.1900000000000004 110.226 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -122.67 138.48 29.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.667 -0.697 . . . . 6.29 110.677 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.658 2.239 . . . . 8.3900000000000006 112.117 178.08 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.556 0.217 . . . . 8.4299999999999997 110.527 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 64.19 32.89 12.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.896 -0.593 . . . . 8.9199999999999999 110.757 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -150.56 38.18 0.69 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.36 -0.836 . . . . 4.6699999999999999 109.527 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.57 25.68 27.18 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.522 -0.763 . . . . 2.2000000000000002 112.153 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.77 70.61 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.368 0.604 . . . . 2.8799999999999999 109.601 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -92.3 127.57 37.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.62 -0.718 . . . . 1.26 111.08 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.44 96.81 8.96 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.27000000000000002 109.234 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.46999999999999997 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 3.3799999999999999 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.23000000000000001 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 2.8700000000000001 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34000000000000002 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.22 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 2.5600000000000001 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 0.58999999999999997 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.47 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.2799999999999998 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m -61.95 118.59 40.43 Favored Pre-proline 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.56000000000000005 110.132 177.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 122.96 12.57 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.825 2.35 . . . . 1.0800000000000001 112.245 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -38.41 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.973 -0.632 . . . . 2.5600000000000001 112.081 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -86.62 -21.25 26.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.041 0.448 . . . . 5.1900000000000004 110.003 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.35 138.28 8.73 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 6.29 109.443 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.415 2.077 . . . . 8.3900000000000006 112.189 175.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 121.036 0.446 . . . . 8.4299999999999997 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -90.76 53.83 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 8.9199999999999999 109.878 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -144.8 24.01 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.666 -0.697 . . . . 4.6699999999999999 110.233 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.03 20.86 39.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.619 -0.8 . . . . 2.2000000000000002 112.379 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.52 134.88 42.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.484 -0.562 . . . . 2.8799999999999999 109.484 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -88.99 135.5 33.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.116 0.484 . . . . 1.26 111.212 -177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -100.67 97.98 8.58 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.449 -0.575 . . . . 0.27000000000000002 109.449 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.46999999999999997 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 3.3799999999999999 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.23000000000000001 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 2.8700000000000001 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34000000000000002 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.647 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.22 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 2.5600000000000001 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 0.58999999999999997 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.47 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.2799999999999998 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.647 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m -64.42 123.09 81.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.56000000000000005 110.399 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.62 120.69 8.75 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.177 1.918 . . . . 1.0800000000000001 111.462 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.23 -27.62 5.8 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.631 -0.795 . . . . 2.5600000000000001 112.188 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 m -79.58 59.64 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.294 0.569 . . . . 5.1900000000000004 110.886 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 103.71 28.04 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 6.29 109.597 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.753 2.302 . . . . 8.3900000000000006 112.004 179.691 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.672 0.273 . . . . 8.4299999999999997 110.577 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.81 160.16 20.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.872 -0.418 . . . . 8.9199999999999999 109.872 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -149.25 162.97 38.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.786 0.327 . . . . 4.6699999999999999 110.488 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 -76.8 0.32 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.548 -0.621 . . . . 2.2000000000000002 111.548 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.73 83.25 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.929 -0.396 . . . . 2.8799999999999999 109.929 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -87.72 115.9 25.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.707 -0.679 . . . . 1.26 110.682 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 t -105.94 98.55 8.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.562 -0.29 . . . . 0.27000000000000002 110.33 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.46999999999999997 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 3.3799999999999999 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.23000000000000001 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 2.8700000000000001 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34000000000000002 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.22 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 2.5600000000000001 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 0.58999999999999997 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.47 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.2799999999999998 111.702 -175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m -55.56 129.17 69.74 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.56000000000000005 109.837 174.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.05 120.92 9.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 121.868 1.712 . . . . 1.0800000000000001 111.475 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.99 10.54 61.15 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.811 -0.709 . . . . 2.5600000000000001 112.702 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . 35.0 t -91.09 -22.0 20.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.09 0.471 . . . . 5.1900000000000004 110.281 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.29 94.82 47.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 6.29 109.982 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 122.796 2.33 . . . . 8.3900000000000006 111.7 177.804 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.656 0.265 . . . . 8.4299999999999997 110.571 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -161.52 34.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.614 -0.266 . . . . 8.9199999999999999 110.699 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p 46.02 -92.95 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.066 0.854 . . . . 4.6699999999999999 112.021 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 19.51 0.71 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.457 -1.057 . . . . 2.2000000000000002 110.457 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.91 72.65 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.32 0.581 . . . . 2.8799999999999999 109.985 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -106.8 128.33 54.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.386 -0.824 . . . . 1.26 110.633 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -100.39 97.76 8.47 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.265 -0.425 . . . . 0.27000000000000002 110.571 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.46999999999999997 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 3.3799999999999999 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.23000000000000001 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 2.8700000000000001 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34000000000000002 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.62 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.22 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 2.5600000000000001 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 0.58999999999999997 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.47 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.2799999999999998 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m -64.52 122.97 81.47 Favored Pre-proline 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.56000000000000005 110.089 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 121.32 9.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.188 1.925 . . . . 1.0800000000000001 111.725 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.23 -43.64 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.276 -0.73 . . . . 2.5600000000000001 111.276 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.5 m -80.91 53.87 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.245 0.545 . . . . 5.1900000000000004 110.262 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 29.6 m -88.62 142.07 30.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 6.29 110.267 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.526 2.15 . . . . 8.3900000000000006 111.726 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.652 0.263 . . . . 8.4299999999999997 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -83.6 67.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.469 0.652 . . . . 8.9199999999999999 110.75 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -143.21 15.15 1.86 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.476 0.655 . . . . 4.6699999999999999 109.635 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 22.84 37.63 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.387 -0.824 . . . . 2.2000000000000002 112.632 -176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -81.77 68.85 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.069 0.938 . . . . 2.8799999999999999 109.838 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -127.22 136.16 51.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.583 -1.189 . . . . 1.26 109.636 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -114.85 97.05 6.03 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.098 0.475 . . . . 0.27000000000000002 110.782 -173.082 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.46999999999999997 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 3.3799999999999999 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.23000000000000001 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 2.8700000000000001 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34000000000000002 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.539 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.22 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 2.5600000000000001 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 0.58999999999999997 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.47 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.2799999999999998 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.539 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m -58.72 121.1 51.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.56000000000000005 110.144 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.5 142.38 40.41 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.296 1.997 . . . . 1.0800000000000001 112.569 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.33 -5.9 89.05 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.99 -0.55 . . . . 2.5600000000000001 112.552 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -61.73 -40.85 96.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.39 . . . . 5.1900000000000004 111.046 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.48 159.23 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.225 -0.443 . . . . 6.29 110.368 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.248 1.015 0 C-N-CA 122.78 2.32 . . . . 8.3900000000000006 112.079 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.577 0.227 . . . . 8.4299999999999997 110.659 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.06 105.83 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 8.9199999999999999 110.198 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -134.13 45.39 2.62 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.982 -0.747 . . . . 4.6699999999999999 108.982 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.05 -173.95 20.27 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.37 -0.832 . . . . 2.2000000000000002 111.274 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.8 155.6 29.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.605 -0.517 . . . . 2.8799999999999999 109.605 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.23 116.12 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.538 0.685 . . . . 1.26 110.137 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t -82.0 97.71 8.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.141 -0.936 . . . . 0.27000000000000002 110.659 -168.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.46999999999999997 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 3.3799999999999999 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.23000000000000001 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 2.8700000000000001 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34000000000000002 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.667 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.22 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 2.5600000000000001 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.709 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 0.58999999999999997 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.47 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.2799999999999998 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m -60.81 142.24 92.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.56000000000000005 110.405 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.51 137.02 45.07 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.467 2.112 . . . . 1.0800000000000001 112.069 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.69 -7.29 88.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.011 -0.614 . . . . 2.5600000000000001 112.123 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -69.21 103.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.9 0.381 . . . . 5.1900000000000004 110.839 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.98 153.99 52.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.031 -0.531 . . . . 6.29 110.565 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 C--O 1.25 1.095 0 C-N-CA 122.549 2.166 . . . . 8.3900000000000006 111.925 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.606 0.241 . . . . 8.4299999999999997 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -126.74 54.75 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.909 0.385 . . . . 8.9199999999999999 110.401 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -123.26 100.61 6.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 4.6699999999999999 110.882 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.46 41.89 2.23 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.822 -0.704 . . . . 2.2000000000000002 111.692 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -78.1 92.11 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.661 -0.496 . . . . 2.8799999999999999 109.661 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p -108.91 140.28 42.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.111 0.481 . . . . 1.26 111.412 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t -110.35 98.15 7.44 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.27000000000000002 110.098 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.46999999999999997 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 3.3799999999999999 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.23000000000000001 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 2.8700000000000001 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34000000000000002 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.22 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 2.5600000000000001 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 0.58999999999999997 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.47 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.2799999999999998 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t -78.72 134.1 61.55 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.56000000000000005 110.138 -175.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.87 123.15 10.09 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.315 2.01 . . . . 1.0800000000000001 111.987 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.51 35.67 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.738 -0.744 . . . . 2.5600000000000001 111.986 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 t -135.66 55.64 1.86 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.452 0.644 . . . . 5.1900000000000004 109.413 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -95.03 153.8 39.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.814 -0.63 . . . . 6.29 110.48 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.721 2.28 . . . . 8.3900000000000006 111.607 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.243 -0.28 . . . . 8.4299999999999997 110.243 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -147.04 63.94 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.391 0.615 . . . . 8.9199999999999999 109.749 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -156.06 -177.23 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.497 -0.774 . . . . 4.6699999999999999 109.684 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' HA2' ' HA2' ' A' ' 14' ' ' GLY . . . 101.0 60.54 0.8 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.436 -0.888 . . . . 2.2000000000000002 111.687 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -80.1 153.23 28.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.768 0.318 . . . . 2.8799999999999999 110.196 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -82.96 119.57 24.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.22 0.533 . . . . 1.26 110.591 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.807 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t -90.16 96.77 10.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.668 -0.696 . . . . 0.27000000000000002 109.271 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.46999999999999997 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 3.3799999999999999 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.23000000000000001 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 2.8700000000000001 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.45 ' HA2' ' HA2' ' A' ' 4' ' ' GLY . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34000000000000002 112.398 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.668 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.22 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 2.5600000000000001 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 0.58999999999999997 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.47 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.2799999999999998 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.668 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -61.68 129.33 91.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.56000000000000005 110.159 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.52 148.16 37.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.345 2.03 . . . . 1.0800000000000001 112.675 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.67 36.45 3.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.057 -0.592 . . . . 2.5600000000000001 112.08 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -79.3 -25.52 42.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.362 0.601 . . . . 5.1900000000000004 109.466 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 m -125.23 132.35 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.6 -0.727 . . . . 6.29 110.049 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.84 2.36 . . . . 8.3900000000000006 112.307 -177.89 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.955 -0.387 . . . . 8.4299999999999997 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 59.25 45.22 14.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.401 0.62 . . . . 8.9199999999999999 109.97 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -148.05 51.27 1.03 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.094 -0.957 . . . . 4.6699999999999999 110.449 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.29 -14.15 82.85 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 120.938 -0.648 . . . . 2.2000000000000002 113.271 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -84.95 73.94 10.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.663 -0.495 . . . . 2.8799999999999999 109.663 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 p -98.57 137.81 36.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 1.26 110.972 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t -106.41 97.58 7.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.085 -0.507 . . . . 0.27000000000000002 110.315 -176.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.46999999999999997 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 3.3799999999999999 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.23000000000000001 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 2.8700000000000001 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34000000000000002 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.22 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 2.5600000000000001 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 0.58999999999999997 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.47 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.2799999999999998 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m -60.15 127.38 85.91 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.56000000000000005 110.731 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.46 141.5 72.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.906 2.404 . . . . 1.0800000000000001 112.254 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.74 41.95 2.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.683 -0.77 . . . . 2.5600000000000001 111.77 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -116.68 119.81 36.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.089 -0.337 . . . . 5.1900000000000004 110.089 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.35 139.16 94.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 6.29 111.906 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--O 1.247 0.946 0 C-N-CA 122.821 2.348 . . . . 8.3900000000000006 112.19 179.465 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.107 0.48 . . . . 0.27 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.47 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 3.38 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.23 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 2.87 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.22 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 2.56 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 0.59 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.47 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.28 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.56 110.323 178.093 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.899 -0.408 . . . . 0.27 109.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.47 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 3.38 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.23 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 2.87 109.955 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.646 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.22 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 2.56 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 0.59 114.477 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.47 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.28 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.56 111.038 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.972 0.415 . . . . 0.27 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.47 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 3.38 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.23 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 2.87 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.22 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 2.56 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.599 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 0.59 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.47 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.28 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.642 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.56 111.536 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.27 109.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.47 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 3.38 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.23 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 2.87 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.658 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.22 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 2.56 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 0.59 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.47 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.28 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.658 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.56 111.043 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.812 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.037 -0.727 . . . . 0.27 109.037 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.47 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 3.38 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.23 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 2.87 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34 112.827 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.641 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.22 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 2.56 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.812 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 0.59 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.47 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.28 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.641 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.56 110.878 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 109.985 -0.376 . . . . 0.27 109.985 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.47 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 3.38 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.23 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 2.87 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.702 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.22 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 2.56 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.539 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 0.59 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.47 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.28 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.702 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.56 110.363 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.27 109.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.47 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 3.38 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.23 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 2.87 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.22 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 2.56 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 0.59 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.47 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.28 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m . . . . . 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.56 110.132 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.449 -0.575 . . . . 0.27 109.449 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.47 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 3.38 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.23 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 2.87 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.647 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.22 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 2.56 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 0.59 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.47 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.28 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.647 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m . . . . . 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.56 110.399 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 t . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 110.33 -0.248 . . . . 0.27 110.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.47 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 3.38 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.23 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 2.87 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.22 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 2.56 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 0.59 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.47 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.28 111.702 -175.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.56 109.837 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.979 0.418 . . . . 0.27 110.571 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.47 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 3.38 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.23 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 2.87 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.62 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.22 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 2.56 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 0.59 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.47 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.28 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.56 110.089 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.441 -0.919 0 CA-C-O 121.098 0.475 . . . . 0.27 110.782 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.47 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 3.38 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.23 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 2.87 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.539 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.22 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 2.56 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 0.59 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.47 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.28 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.539 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m . . . . . 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.56 110.144 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.015 0.436 . . . . 0.27 110.659 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.47 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 3.38 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.23 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 2.87 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.667 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.22 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 2.56 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.709 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 0.59 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.47 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.28 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.405 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 121.023 0.44 . . . . 0.27 110.098 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.47 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 3.38 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.23 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 2.87 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.22 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 2.56 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 0.59 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.47 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.28 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.56 110.138 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.807 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 109.271 -0.64 . . . . 0.27 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.47 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 3.38 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.23 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 2.87 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34 112.398 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.668 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.22 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 2.56 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 0.59 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.47 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.28 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.668 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.56 110.159 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 120.741 0.305 . . . . 0.27 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.47 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 3.38 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.23 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 2.87 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.22 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 2.56 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 0.59 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.47 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.28 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m . . . . . 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.56 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.964 0.411 . . . . 8.43 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.17 10.93 35.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 8.92 110.614 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t -147.46 -174.81 4.63 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.884 -0.784 . . . . 4.67 108.884 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 42.37 3.02 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.889 -0.672 . . . . 2.2 111.58 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.61 70.22 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.802 0.811 . . . . 2.88 111.209 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -88.06 116.05 25.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 1.26 109.449 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.5 t -77.61 98.22 5.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.804 -0.634 . . . . 0.27 110.366 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -70.34 -18.98 63.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.837 0.68 . . . . 0.47 112.837 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -76.02 -40.13 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.568 -0.453 . . . . 3.38 111.907 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -103.84 -18.23 14.73 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.645 -0.422 . . . . 0.23 110.98 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.96 -1.5 70.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.777 -0.725 . . . . 0.25 111.789 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.19 -159.62 34.94 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.636 -0.585 . . . . 0.38 111.636 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -149.73 171.14 17.19 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.54 -0.541 . . . . 2.87 109.54 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.82 -21.45 44.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.171 -1.014 . . . . 0.34 112.724 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.94 167.36 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.135 -0.32 . . . . 0.22 110.135 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -89.32 149.02 23.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.241 0.543 . . . . 2.56 109.985 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -50.13 -29.08 8.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.646 -1.161 . . . . 0.59 114.052 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -81.96 -4.35 56.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.004 -0.278 . . . . 1.47 111.652 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.27 19.57 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.892 0.33 . . . . 2.28 111.892 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.43 138.81 91.58 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 121.036 -0.266 . . . . 0.56 110.323 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.8 121.96 8.1 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.377 2.052 . . . . 1.08 111.933 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.85 -0.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.167 -1.016 . . . . 2.56 113.805 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -67.23 -54.83 17.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.374 0.587 . . . . 5.19 109.513 177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.52 99.32 49.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.827 -0.805 . . . . 6.29 108.827 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.145 2.563 . . . . 8.39 112.537 -178.005 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.112 -0.329 . . . . 8.43 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.49 82.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 8.92 110.717 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -125.41 15.96 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.387 0.613 . . . . 4.67 109.613 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 40.39 2.43 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.493 -0.776 . . . . 2.2 111.63 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -99.7 97.58 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 2.88 109.396 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' SD ' ' A' ' 13' ' ' MET . 15.3 p -98.74 135.89 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.45 -0.341 . . . . 1.26 111.441 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t -111.97 97.44 6.68 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.899 -0.408 . . . . 0.27 109.899 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -77.47 -6.91 55.2 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.371 0.508 . . . . 0.47 112.371 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -86.5 -34.54 19.99 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.697 -0.401 . . . . 3.38 111.964 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.15 -18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.394 -0.523 . . . . 0.23 110.844 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.59 -4.78 76.62 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.714 . . . . 0.25 112.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.02 160.46 36.94 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.535 -0.84 . . . . 0.38 112.065 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 6' ' ' THR . 25.6 mmt -114.23 137.61 51.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.955 -0.387 . . . . 2.87 109.955 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.68 -29.23 4.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.453 -0.88 . . . . 0.34 112.934 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.646 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.4 p-80 -131.04 169.01 16.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.246 -0.279 . . . . 0.22 110.246 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -100.49 162.47 12.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.17 0.509 . . . . 2.56 111.964 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.38 -43.4 11.05 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.477 1.288 . . . . 0.59 114.477 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -93.38 23.08 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.725 -0.39 . . . . 1.47 111.851 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -128.9 19.89 6.0 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.696 0.258 . . . . 2.28 111.696 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -62.72 125.94 87.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 120.424 0.154 . . . . 0.56 111.038 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.26 175.32 11.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.889 2.393 . . . . 1.08 112.672 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.62 -62.98 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.145 -0.55 . . . . 2.56 111.997 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 m -95.69 -40.49 9.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 5.19 110.638 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.0 145.28 99.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 6.29 111.106 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 122.691 2.261 . . . . 8.39 112.121 178.213 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.574 0.226 . . . . 8.43 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -70.42 -29.88 66.6 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.144 0.497 . . . . 8.92 111.003 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 p -100.85 19.41 17.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.987 -0.551 . . . . 4.67 111.012 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.32 -127.7 9.19 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.377 -0.916 . . . . 2.2 112.269 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.18 105.62 11.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.685 0.243 . . . . 2.88 110.564 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.76 143.76 25.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.132 0.491 . . . . 1.26 110.859 176.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -107.08 98.35 8.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.536 -0.756 . . . . 0.27 110.077 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -73.54 -3.2 26.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.902 0.704 . . . . 0.47 112.902 -171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 32.0 mmt180 -96.51 -23.88 16.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.098 0.407 . . . . 3.38 112.098 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.6 p -119.41 -17.78 8.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.384 -0.526 . . . . 0.23 111.001 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.98 -7.8 76.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.744 -0.741 . . . . 0.25 111.977 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.63 -173.28 48.04 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.926 -0.654 . . . . 0.38 112.288 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -143.14 149.38 38.0 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.623 -0.51 . . . . 2.87 109.623 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.57 -23.03 12.51 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.414 -0.898 . . . . 0.34 112.221 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 25.8 p-80 -135.41 164.4 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.22 110.356 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -93.39 157.46 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.536 0.684 . . . . 2.56 111.431 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.599 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.71 -31.23 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.349 -1.296 . . . . 0.59 114.027 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 p -90.56 9.87 27.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.799 0.296 . . . . 1.47 111.799 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -126.45 21.28 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.722 0.267 . . . . 2.28 111.722 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.642 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 93.8 m -59.36 126.41 82.04 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 111.536 0.199 . . . . 0.56 111.536 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.04 120.72 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.496 1.464 . . . . 1.08 109.913 168.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.13 -50.56 0.87 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.651 -0.979 . . . . 2.56 110.651 -171.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 p -89.93 -27.61 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 5.19 109.069 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.52 113.99 27.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.071 -0.968 . . . . 6.29 109.748 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.633 2.222 . . . . 8.39 112.12 176.634 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.807 -0.442 . . . . 8.43 109.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.569 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 30.3 mmt180 55.76 41.23 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.358 0.599 . . . . 8.92 111.336 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -150.39 -21.22 0.24 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 4.67 110.162 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.6 39.19 2.42 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.67 . . . . 2.2 111.567 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' OD2' ' HA ' ' A' ' 2' ' ' ARG . 12.9 m-20 -78.86 86.9 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.83 -0.434 . . . . 2.88 109.83 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -82.73 115.09 21.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.081 -0.508 . . . . 1.26 110.604 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -99.76 97.61 8.52 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.086 0.469 . . . . 0.27 109.944 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -75.02 -4.63 39.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.47 112.128 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -86.12 -35.21 20.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.091 -0.244 . . . . 3.38 111.528 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.36 -17.49 10.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.991 0.424 . . . . 0.23 111.012 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.95 -3.9 77.78 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.822 -0.704 . . . . 0.25 112.039 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.45 -176.12 50.42 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.832 -0.699 . . . . 0.38 112.577 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -130.71 160.59 33.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.78 -0.452 . . . . 2.87 109.78 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 -18.45 45.77 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.511 -0.852 . . . . 0.34 112.411 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.658 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.7 p-80 -145.97 169.35 18.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.172 -0.307 . . . . 0.22 110.172 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.04 170.22 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.914 -0.584 . . . . 2.56 111.685 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -35.76 -60.91 0.5 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.809 1.411 . . . . 0.59 114.809 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 t -88.26 27.92 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.927 0.343 . . . . 1.47 111.927 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -133.38 19.0 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.151 -0.343 . . . . 2.28 111.765 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.658 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 86.3 m -61.31 120.72 57.67 Favored Pre-proline 0 N--CA 1.465 0.281 0 C-N-CA 121.437 -0.105 . . . . 0.56 111.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.79 151.35 32.88 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.969 2.446 . . . . 1.08 112.219 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.87 24.34 6.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.715 -0.755 . . . . 2.56 111.851 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.8 t -98.67 100.02 11.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.178 -0.675 . . . . 5.19 109.178 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 30.2 m -76.85 140.11 66.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.204 -0.453 . . . . 6.29 110.998 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 12.3 Cg_endo . . . . . 0 C--O 1.248 0.999 0 C-N-CA 123.246 2.631 . . . . 8.39 112.048 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.744 0.307 . . . . 8.43 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -82.83 82.69 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 8.92 110.601 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.56 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 22.1 t -121.2 3.77 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.226 0.536 . . . . 4.67 110.122 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.46 47.01 1.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 2.2 112.224 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.25 143.27 51.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.644 -0.502 . . . . 2.88 109.644 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -84.11 140.27 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.499 0.666 . . . . 1.26 111.959 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.812 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.6 t -95.43 98.28 10.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.94 . . . . 0.27 109.037 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -69.89 -4.25 19.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.377 0.88 . . . . 0.47 113.377 -169.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 67.4 mtp180 -94.7 -34.02 12.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.347 -0.541 . . . . 3.38 112.188 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -108.95 -16.88 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.334 -0.547 . . . . 0.23 110.955 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.26 76.75 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.243 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.99 174.67 54.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.787 -0.72 . . . . 0.38 111.418 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -134.18 139.32 45.76 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 110.009 -0.367 . . . . 2.87 110.009 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.56 ' HA2' ' O ' ' A' ' 3' ' ' SER . . . 127.13 -24.72 5.33 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.223 -0.989 . . . . 0.34 112.827 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.641 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.9 p-80 -129.84 166.76 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.004 0.402 . . . . 0.22 111.181 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -83.91 148.64 26.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.398 -0.819 . . . . 2.56 110.462 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.812 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -55.24 -27.94 49.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 113.94 1.089 . . . . 0.59 113.94 -170.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -97.85 11.73 36.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.969 -0.292 . . . . 1.47 111.24 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -126.22 29.31 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.567 -0.288 . . . . 2.28 111.144 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.641 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.9 m -60.98 114.98 11.95 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.746 -0.206 . . . . 0.56 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.61 153.35 26.56 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.554 2.169 . . . . 1.08 112.778 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.08 89.17 1.38 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.887 -0.673 . . . . 2.56 111.429 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -81.34 55.25 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.124 0.487 . . . . 5.19 110.934 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -128.59 153.01 79.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.556 . . . . 6.29 110.439 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 122.382 2.055 . . . . 8.39 111.964 175.582 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.306 0.574 . . . . 8.43 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -108.4 32.22 4.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.577 . . . . 8.92 110.122 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 p -119.58 28.62 8.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.831 -0.622 . . . . 4.67 110.56 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 -4.46 10.93 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.624 -0.798 . . . . 2.2 112.597 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.77 70.12 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.813 0.816 . . . . 2.88 110.614 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -120.55 115.4 23.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.267 -0.879 . . . . 1.26 109.779 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 6.2 t -91.29 98.01 11.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.371 -0.377 . . . . 0.27 109.985 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -75.06 -5.09 42.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.411 -0.359 . . . . 0.47 111.77 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -81.93 -41.5 20.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.662 -0.244 . . . . 3.38 111.37 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.77 -16.61 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 0.23 110.906 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.5 2.46 67.73 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.803 -0.713 . . . . 0.25 112.844 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.86 155.32 21.97 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.479 -0.867 . . . . 0.38 112.186 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.8 mtt -106.72 142.04 37.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.844 -0.428 . . . . 2.87 109.844 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.21 -33.93 2.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.157 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.702 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 22.9 p-80 -128.86 166.55 18.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.049 0.452 . . . . 0.22 111.229 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -86.67 158.63 19.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.116 -0.947 . . . . 2.56 110.2 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.539 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -42.45 -54.38 3.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.108 1.151 . . . . 0.59 114.108 -171.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -96.43 29.62 2.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.638 0.256 . . . . 1.47 111.396 -172.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.01 28.84 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 2.28 111.311 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.702 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 92.5 m -59.58 137.9 89.55 Favored Pre-proline 0 C--O 1.233 0.225 0 O-C-N 123.093 0.246 . . . . 0.56 110.363 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.87 121.69 10.08 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.25 1.967 . . . . 1.08 111.721 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.98 -23.01 8.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.769 -0.729 . . . . 2.56 112.195 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -84.75 53.07 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.283 0.563 . . . . 5.19 110.226 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -122.67 138.48 29.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.667 -0.697 . . . . 6.29 110.677 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.658 2.239 . . . . 8.39 112.117 178.08 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.556 0.217 . . . . 8.43 110.527 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 64.19 32.89 12.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.896 -0.593 . . . . 8.92 110.757 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -150.56 38.18 0.69 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.36 -0.836 . . . . 4.67 109.527 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.57 25.68 27.18 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.522 -0.763 . . . . 2.2 112.153 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.77 70.61 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.368 0.604 . . . . 2.88 109.601 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -92.3 127.57 37.83 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.62 -0.718 . . . . 1.26 111.08 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -96.44 96.81 8.96 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 109.234 -0.654 . . . . 0.27 109.234 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -72.04 -2.55 18.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.502 -0.772 . . . . 0.47 112.67 -171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -98.93 -36.08 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.076 0.398 . . . . 3.38 112.076 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.7 p -108.72 -20.3 13.12 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.453 -0.499 . . . . 0.23 110.977 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.83 64.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.25 112.982 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.57 170.52 44.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.627 -0.797 . . . . 0.38 112.325 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.4 mtp -124.68 144.51 50.17 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.921 -0.4 . . . . 2.87 109.921 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.6 -16.06 14.35 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.665 -0.779 . . . . 0.34 112.164 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.63 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 19.5 p-80 -146.0 171.88 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.731 0.301 . . . . 0.22 110.326 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -116.84 165.88 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.545 -0.752 . . . . 2.56 110.837 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.5 -41.63 3.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.618 1.34 . . . . 0.59 114.618 -170.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -82.8 3.89 27.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.324 0.49 . . . . 1.47 112.324 -172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -129.95 26.39 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.19 0.441 . . . . 2.28 112.19 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 67.7 m -61.95 118.59 40.43 Favored Pre-proline 0 C--O 1.236 0.357 0 N-CA-C 110.132 -0.321 . . . . 0.56 110.132 177.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 122.96 12.57 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.825 2.35 . . . . 1.08 112.245 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -38.41 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.973 -0.632 . . . . 2.56 112.081 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -86.62 -21.25 26.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.041 0.448 . . . . 5.19 110.003 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.35 138.28 8.73 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 6.29 109.443 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.415 2.077 . . . . 8.39 112.189 175.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 121.036 0.446 . . . . 8.43 110.614 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -90.76 53.83 2.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.622 0.725 . . . . 8.92 109.878 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -144.8 24.01 1.53 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.666 -0.697 . . . . 4.67 110.233 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.03 20.86 39.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.619 -0.8 . . . . 2.2 112.379 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -100.52 134.88 42.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.484 -0.562 . . . . 2.88 109.484 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.9 p -88.99 135.5 33.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.116 0.484 . . . . 1.26 111.212 -177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 3.2 t -100.67 97.98 8.58 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.449 -0.575 . . . . 0.27 109.449 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -72.52 -1.89 17.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.657 0.614 . . . . 0.47 112.657 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 24.1 mmt180 -90.39 -52.64 4.82 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.749 -0.381 . . . . 3.38 111.14 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.4 p -96.21 -17.76 20.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.23 110.695 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.67 -11.25 70.15 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.768 -0.729 . . . . 0.25 112.106 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.41 178.24 53.79 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.994 -0.622 . . . . 0.38 112.446 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.5 mtm -128.47 151.83 48.94 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.883 -0.414 . . . . 2.87 109.883 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.7 -15.59 31.7 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.082 -1.056 . . . . 0.34 112.937 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.647 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 39.6 p-80 -138.47 161.38 37.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.461 . . . . 0.22 111.046 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 m-90 -82.1 151.8 26.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.877 -1.056 . . . . 2.56 110.716 -176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -54.85 -24.19 21.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.622 -1.172 . . . . 0.59 113.785 -173.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -100.18 17.01 22.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.748 0.309 . . . . 1.47 111.106 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -132.53 27.59 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 2.28 111.531 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.647 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 81.9 m -64.42 123.09 81.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 110.399 -0.223 . . . . 0.56 110.399 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.62 120.69 8.75 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.177 1.918 . . . . 1.08 111.462 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.23 -27.62 5.8 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.631 -0.795 . . . . 2.56 112.188 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 m -79.58 59.64 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.294 0.569 . . . . 5.19 110.886 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 103.71 28.04 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 6.29 109.597 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.753 2.302 . . . . 8.39 112.004 179.691 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.672 0.273 . . . . 8.43 110.577 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -115.81 160.16 20.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.872 -0.418 . . . . 8.92 109.872 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -149.25 162.97 38.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.786 0.327 . . . . 4.67 110.488 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 -76.8 0.32 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.548 -0.621 . . . . 2.2 111.548 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.73 83.25 7.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.929 -0.396 . . . . 2.88 109.929 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -87.72 115.9 25.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.707 -0.679 . . . . 1.26 110.682 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 t -105.94 98.55 8.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.562 -0.29 . . . . 0.27 110.33 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.55 -16.42 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.39 0.515 . . . . 0.47 112.39 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 64.4 mtp180 -75.76 -46.19 32.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 3.38 111.508 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -101.86 -17.94 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.476 . . . . 0.23 110.572 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.8 4.07 85.3 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.25 112.053 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.26 172.04 32.98 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.808 -0.71 . . . . 0.38 112.729 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.29 159.12 22.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.73 -0.47 . . . . 2.87 109.73 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.61 -17.15 39.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.34 112.536 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 20.1 p-80 -147.6 169.88 18.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.757 0.313 . . . . 0.22 110.386 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -103.28 162.27 13.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.736 -0.666 . . . . 2.56 110.951 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -44.73 -47.83 10.73 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.087 1.143 . . . . 0.59 114.087 -170.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 m -81.34 3.96 22.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.44 0.534 . . . . 1.47 112.44 -172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -119.4 18.35 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.122 -0.631 . . . . 2.28 111.702 -175.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 94.7 m -55.56 129.17 69.74 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 109.837 -0.431 . . . . 0.56 109.837 174.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.05 120.92 9.08 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 121.868 1.712 . . . . 1.08 111.475 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.99 10.54 61.15 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.811 -0.709 . . . . 2.56 112.702 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.443 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . 35.0 t -91.09 -22.0 20.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.09 0.471 . . . . 5.19 110.281 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.29 94.82 47.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.076 -0.511 . . . . 6.29 109.982 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 122.796 2.33 . . . . 8.39 111.7 177.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.656 0.265 . . . . 8.43 110.571 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -161.52 34.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.614 -0.266 . . . . 8.92 110.699 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p 46.02 -92.95 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.066 0.854 . . . . 4.67 112.021 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 19.51 0.71 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.457 -1.057 . . . . 2.2 110.457 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.91 72.65 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.32 0.581 . . . . 2.88 109.985 -174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -106.8 128.33 54.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.386 -0.824 . . . . 1.26 110.633 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -100.39 97.76 8.47 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.265 -0.425 . . . . 0.27 110.571 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -75.7 -9.11 58.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.47 111.693 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -80.05 -25.45 40.11 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.824 0.305 . . . . 3.38 111.824 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -127.38 -11.72 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.999 0.428 . . . . 0.23 111.002 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.11 0.66 82.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.841 -0.695 . . . . 0.25 112.044 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.06 178.21 44.87 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.939 -0.648 . . . . 0.38 112.568 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -128.27 153.34 47.07 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.826 -0.435 . . . . 2.87 109.826 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.23 -38.96 3.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.441 -0.885 . . . . 0.34 112.171 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.62 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 30.2 p-80 -118.97 164.25 15.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.205 -0.294 . . . . 0.22 110.205 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -96.95 164.56 12.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 2.56 111.697 -175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.54 -51.59 11.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.943 -1.026 . . . . 0.59 113.664 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -88.11 31.36 0.8 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.727 0.299 . . . . 1.47 111.746 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -138.41 22.72 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.935 0.346 . . . . 2.28 111.935 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 87.5 m -64.52 122.97 81.47 Favored Pre-proline 0 C--O 1.234 0.261 0 N-CA-C 110.089 -0.337 . . . . 0.56 110.089 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 121.32 9.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.188 1.925 . . . . 1.08 111.725 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.23 -43.64 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.276 -0.73 . . . . 2.56 111.276 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.5 m -80.91 53.87 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.245 0.545 . . . . 5.19 110.262 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 29.6 m -88.62 142.07 30.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 6.29 110.267 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 6.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.526 2.15 . . . . 8.39 111.726 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.652 0.263 . . . . 8.43 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -83.6 67.34 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.469 0.652 . . . . 8.92 110.75 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -143.21 15.15 1.86 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.476 0.655 . . . . 4.67 109.635 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 22.84 37.63 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.387 -0.824 . . . . 2.2 112.632 -176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -81.77 68.85 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.069 0.938 . . . . 2.88 109.838 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -127.22 136.16 51.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.583 -1.189 . . . . 1.26 109.636 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -114.85 97.05 6.03 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.098 0.475 . . . . 0.27 110.782 -173.082 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -79.48 -0.41 33.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.59 . . . . 0.47 111.338 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -86.14 -43.21 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 3.38 111.066 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.94 -21.72 13.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 0.23 110.608 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.09 -8.91 57.72 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.887 -0.673 . . . . 0.25 112.383 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.45 -179.91 51.53 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.793 -0.718 . . . . 0.38 112.378 -177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -135.64 148.79 49.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.724 -0.473 . . . . 2.87 109.724 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.84 -28.93 6.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.569 -0.824 . . . . 0.34 112.01 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.539 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 27.6 p-80 -127.66 166.49 18.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.22 111.003 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -83.75 152.18 24.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.284 -0.871 . . . . 2.56 111.59 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -45.12 -53.21 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.096 -0.956 . . . . 0.59 113.576 -172.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -89.37 17.39 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.978 0.362 . . . . 1.47 111.978 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -122.56 25.87 8.59 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.042 0.386 . . . . 2.28 112.042 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.539 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 84.7 m -58.72 121.1 51.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 O-C-N 123.268 0.355 . . . . 0.56 110.144 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.5 142.38 40.41 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.296 1.997 . . . . 1.08 112.569 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.33 -5.9 89.05 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.99 -0.55 . . . . 2.56 112.552 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -61.73 -40.85 96.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.39 . . . . 5.19 111.046 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.48 159.23 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.225 -0.443 . . . . 6.29 110.368 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.248 1.015 0 C-N-CA 122.78 2.32 . . . . 8.39 112.079 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.577 0.227 . . . . 8.43 110.659 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.06 105.83 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 8.92 110.198 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -134.13 45.39 2.62 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.982 -0.747 . . . . 4.67 108.982 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.05 -173.95 20.27 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.37 -0.832 . . . . 2.2 111.274 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.8 155.6 29.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.605 -0.517 . . . . 2.88 109.605 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.23 116.12 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.538 0.685 . . . . 1.26 110.137 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.7 t -82.0 97.71 8.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.141 -0.936 . . . . 0.27 110.659 -168.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.81 -2.75 24.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.47 111.983 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -87.14 -39.9 15.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.639 -0.255 . . . . 3.38 111.449 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.6 p -112.41 -16.69 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.23 111.002 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.08 -4.79 68.03 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.749 . . . . 0.25 112.679 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.6 177.05 49.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.38 111.682 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.6 ptm -133.08 138.0 46.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 117.006 0.403 . . . . 2.87 110.289 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.37 -48.08 0.99 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.632 -0.794 . . . . 0.34 112.17 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.667 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 38.4 p-80 -105.32 166.95 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.097 0.475 . . . . 0.22 111.384 -176.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -81.68 146.68 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 2.56 110.982 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.709 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -52.99 -28.24 22.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.445 -1.252 . . . . 0.59 113.932 -173.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 p -99.36 11.66 38.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.775 0.321 . . . . 1.47 111.534 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -125.39 29.18 6.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.563 -0.29 . . . . 2.28 111.216 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 95.2 m -60.81 142.24 92.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.405 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.51 137.02 45.07 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.467 2.112 . . . . 1.08 112.069 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.69 -7.29 88.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.011 -0.614 . . . . 2.56 112.123 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -69.21 103.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.9 0.381 . . . . 5.19 110.839 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.98 153.99 52.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.031 -0.531 . . . . 6.29 110.565 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 C--O 1.25 1.095 0 C-N-CA 122.549 2.166 . . . . 8.39 111.925 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.606 0.241 . . . . 8.43 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -126.74 54.75 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.909 0.385 . . . . 8.92 110.401 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -123.26 100.61 6.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 4.67 110.882 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.46 41.89 2.23 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.822 -0.704 . . . . 2.2 111.692 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -78.1 92.11 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.661 -0.496 . . . . 2.88 109.661 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p -108.91 140.28 42.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.111 0.481 . . . . 1.26 111.412 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 6.9 t -110.35 98.15 7.44 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.27 110.098 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -72.33 3.72 4.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.47 112.355 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.83 -42.89 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.877 -0.329 . . . . 3.38 111.401 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.44 -12.63 12.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.834 0.349 . . . . 0.23 111.207 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.64 -5.66 80.73 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.801 -0.714 . . . . 0.25 112.106 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.82 140.34 20.83 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.832 -0.699 . . . . 0.38 111.635 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.1 mtt -97.16 138.94 33.89 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.989 -0.374 . . . . 2.87 109.989 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.24 -29.23 4.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.48 -0.866 . . . . 0.34 112.49 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 31.7 p-80 -133.1 169.79 16.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.897 0.38 . . . . 0.22 111.042 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -112.38 165.38 12.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.588 -0.733 . . . . 2.56 111.039 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.21 -46.49 8.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.908 1.077 . . . . 0.59 113.908 -174.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m -75.34 -1.46 23.82 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.463 0.542 . . . . 1.47 112.463 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.96 26.54 6.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 2.28 110.329 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 2.6 t -78.72 134.1 61.55 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.881 -0.6 . . . . 0.56 110.138 -175.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.87 123.15 10.09 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.315 2.01 . . . . 1.08 111.987 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.51 35.67 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.738 -0.744 . . . . 2.56 111.986 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 t -135.66 55.64 1.86 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.452 0.644 . . . . 5.19 109.413 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -95.03 153.8 39.76 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.814 -0.63 . . . . 6.29 110.48 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.721 2.28 . . . . 8.39 111.607 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.243 -0.28 . . . . 8.43 110.243 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -147.04 63.94 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.391 0.615 . . . . 8.92 109.749 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -156.06 -177.23 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.497 -0.774 . . . . 4.67 109.684 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' HA2' ' HA2' ' A' ' 14' ' ' GLY . . . 101.0 60.54 0.8 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.436 -0.888 . . . . 2.2 111.687 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -80.1 153.23 28.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.768 0.318 . . . . 2.88 110.196 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -82.96 119.57 24.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 121.22 0.533 . . . . 1.26 110.591 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.807 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.9 t -90.16 96.77 10.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.668 -0.696 . . . . 0.27 109.271 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -76.01 5.89 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.715 -0.675 . . . . 0.47 112.552 -172.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 17' ' ' ALA . 35.4 mtp180 -99.4 -35.94 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.704 -0.398 . . . . 3.38 111.651 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.36 -21.81 12.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.23 110.919 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.98 -13.82 60.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.735 -0.745 . . . . 0.25 112.231 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.63 164.69 47.24 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.749 -0.739 . . . . 0.38 111.603 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -125.08 138.79 54.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.335 -0.617 . . . . 2.87 109.335 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.45 ' HA2' ' HA2' ' A' ' 4' ' ' GLY . . . 136.68 -32.87 2.41 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.105 -1.045 . . . . 0.34 112.398 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.668 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 36.8 p-80 -125.45 163.47 22.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.053 0.454 . . . . 0.22 111.166 -178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -78.14 148.77 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.354 -0.839 . . . . 2.56 110.181 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . . . -53.57 -30.53 42.64 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.944 1.09 . . . . 0.59 113.944 -170.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -99.16 18.15 18.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.967 0.413 . . . . 1.47 111.015 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -130.58 32.41 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.875 -0.33 . . . . 2.28 111.328 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.668 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 74.1 m -61.68 129.33 91.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.473 -0.331 . . . . 0.56 110.159 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.52 148.16 37.21 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.345 2.03 . . . . 1.08 112.675 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.67 36.45 3.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.057 -0.592 . . . . 2.56 112.08 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -79.3 -25.52 42.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.362 0.601 . . . . 5.19 109.466 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 m -125.23 132.35 24.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.6 -0.727 . . . . 6.29 110.049 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 122.84 2.36 . . . . 8.39 112.307 -177.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.5 m120 . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.955 -0.387 . . . . 8.43 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 59.25 45.22 14.49 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.401 0.62 . . . . 8.92 109.97 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -148.05 51.27 1.03 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.094 -0.957 . . . . 4.67 110.449 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.29 -14.15 82.85 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 120.938 -0.648 . . . . 2.2 113.271 -177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -84.95 73.94 10.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.663 -0.495 . . . . 2.88 109.663 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 p -98.57 137.81 36.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.987 -0.551 . . . . 1.26 110.972 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 3.9 t -106.41 97.58 7.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.085 -0.507 . . . . 0.27 110.315 -176.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -75.65 -6.36 50.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.276 -0.42 . . . . 0.47 112.094 -176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.91 -33.53 24.71 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.07 -0.252 . . . . 3.38 111.578 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -114.91 -20.25 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.567 -0.453 . . . . 0.23 110.935 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.08 1.16 67.4 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.891 -0.671 . . . . 0.25 112.061 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.28 49.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.818 -0.706 . . . . 0.38 112.254 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ptm -133.06 153.68 51.26 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.079 -0.341 . . . . 2.87 110.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.3 -27.58 15.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.463 -0.875 . . . . 0.34 111.956 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' NE2' ' HA ' ' A' ' 20' ' ' CYS . 21.9 p-80 -130.5 168.64 16.71 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.88 -0.415 . . . . 0.22 109.88 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -103.89 163.89 12.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.9 -0.591 . . . . 2.56 112.496 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -39.67 -48.37 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 113.872 -1.513 . . . . 0.59 114.708 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -98.68 23.64 8.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.035 0.384 . . . . 1.47 112.035 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -130.59 26.67 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.2 -0.2 . . . . 2.28 111.509 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HA ' ' NE2' ' A' ' 15' ' ' HIS . 96.4 m -60.15 127.38 85.91 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.609 -0.269 . . . . 0.56 110.731 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.46 141.5 72.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.906 2.404 . . . . 1.08 112.254 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.74 41.95 2.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.683 -0.77 . . . . 2.56 111.77 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -116.68 119.81 36.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.089 -0.337 . . . . 5.19 110.089 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.35 139.16 94.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 6.29 111.906 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--O 1.247 0.946 0 C-N-CA 122.821 2.348 . . . . 8.39 112.19 179.465 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_