data_1mzi_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 1mzi _Structure_validation_residue.Date_analyzed 2016-10-07 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 full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 tp 53.24 90.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.718 1.207 . . . . 0.0 113.629 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 2.6 pt? 25.92 56.74 0.05 Allowed 'General case' 0 N--CA 1.509 2.515 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -166.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.354 46.8 mt-10 104.7 -61.7 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.982 0 C-N-CA 126.742 2.017 . . . . 0.0 107.932 171.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp 41.03 86.04 0.02 OUTLIER 'General case' 0 C--N 1.378 1.826 0 O-C-N 117.955 -2.966 . . . . 0.0 118.044 -102.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -24.42 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 126.986 3.279 . . . . 0.0 118.737 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 85.16 65.28 0.01 OUTLIER 'General case' 1 N--CA 1.594 6.738 1 CA-C-N 104.448 -5.796 . . . . 0.0 106.446 146.362 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 56.35 76.81 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 124.088 0.955 . . . . 0.0 113.275 -164.185 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.545 ' CA ' ' HA ' ' A' ' 9' ' ' ALA 0.334 . . 31.79 79.03 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 126.641 1.976 . . . . 0.0 116.282 -177.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.339 43.6 t 51.49 -112.12 0.62 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.459 1.104 . . . . 0.0 111.85 -158.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.71 146.52 14.82 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 161.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -63.19 137.75 58.32 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.505 -1.372 . . . . 0.0 112.458 162.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.37 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.555 1.146 0 CA-C-O 121.326 0.584 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.33 -40.95 94.33 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.18 -62.02 1.79 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 119.537 1.062 . . . . 0.0 113.822 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.98 -54.07 2.99 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.19 -63.25 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -167.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.56 -32.29 73.23 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -73.36 -66.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.534 1.061 . . . . 0.0 111.942 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -29.85 69.01 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 -174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -52.7 57.3 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.4 t -78.61 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 117.441 -1.266 . . . . 0.0 110.111 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.308 1.2 mp 47.05 -146.78 0.2 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 155.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -41.68 133.87 2.6 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.172 -1.58 . . . . 0.0 115.17 130.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.105 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.154 0.502 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.45 149.95 24.09 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 0.0 110.032 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.1 144.89 29.46 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.396 -0.815 . . . . 0.0 110.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.4 -39.91 70.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.554 -0.717 . . . . 0.0 112.439 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.1 mt -95.7 136.67 35.8 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.645 -1.284 . . . . 0.0 109.656 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.65 -76.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.271 28.4 tptt -58.01 -37.25 73.94 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -34.36 25.93 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.005 -177.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.43 -58.43 3.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.453 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 64.98 3.47 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' O ' ' CE3' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -121.6 -32.43 3.81 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.451 0.643 . . . . 0.0 110.281 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 11' ' ' LEU . 6.8 m95 -112.86 4.08 16.71 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.345 -177.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.154 179.665 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 121.351 0.596 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp -75.28 105.38 6.27 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.384 0.9 OUTLIER 54.89 168.98 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -163.201 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -75.85 -18.2 59.53 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.463 1.3 mt 66.13 173.38 0.23 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 116.715 -3.741 . . . . 0.0 118.472 -90.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -128.9 50.5 2.12 Favored 'General case' 0 N--CA 1.513 2.724 1 CA-C-O 130.092 4.758 . . . . 0.0 119.306 151.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.305 81.2 mttt -72.86 -133.44 0.01 OUTLIER 'General case' 0 C--N 1.273 -2.73 1 CA-C-N 103.0 -6.454 . . . . 0.0 107.458 128.753 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -114.3 -14.71 12.22 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.409 -3.087 . . . . 0.0 117.504 143.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.555 ' HB1' ' CB ' ' A' ' 9' ' ' ALA 0.358 . . 156.55 150.66 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.113 1 N-CA-C 98.617 -4.586 . . . . 0.0 98.617 -177.35 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -77.32 113.26 14.9 Favored 'General case' 0 C--N 1.303 -1.45 1 CA-C-N 106.921 -4.672 . . . . 0.0 110.832 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.22 138.24 21.0 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 110.683 -2.962 . . . . 0.0 116.194 -164.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -91.44 112.64 24.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.501 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.004 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.561 1.378 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.396 4.9 tt 74.54 87.44 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 1 O-C-N 115.123 -4.736 . . . . 0.0 114.557 -2.332 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.32 21.2 mt 65.4 33.17 9.12 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 115.02 -4.8 . . . . 0.0 120.324 -29.468 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -159.6 -62.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.506 -1.372 . . . . 0.0 112.534 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.67 -68.11 0.6 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.323 3.3 m-20 44.08 -76.78 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 O-C-N 118.422 -2.673 . . . . 0.0 116.702 100.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -84.18 -56.88 3.42 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.03 0.932 . . . . 0.0 112.655 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -116.59 108.59 16.14 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 119.119 0.872 . . . . 0.0 109.363 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.378 . . 66.61 -166.73 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 2 O-C-N 114.893 -4.879 . . . . 0.0 118.647 -26.514 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.35 13.4 t 75.67 -72.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.31 -30.4 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -167.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -95.45 127.31 41.39 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.845 1.202 . . . . 0.0 110.373 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.49 1.541 1 O-C-N 115.976 -4.202 . . . . 0.0 112.98 2.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.44 -116.29 0.14 Allowed 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.437 1.471 . . . . 0.0 110.568 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.1 pt? -62.82 142.75 58.09 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 173.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.66 -49.38 59.56 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.6 132.94 54.07 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 121.089 -1.007 . . . . 0.0 112.343 161.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.537 0.8 OUTLIER 51.08 86.94 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.058 0 CA-C-O 124.033 1.873 . . . . 0.0 115.881 -156.18 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -80.14 -64.19 1.24 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.627 -1.296 . . . . 0.0 111.864 174.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.42 2.9 m95 -77.81 4.18 12.44 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 119.524 3.157 . . . . 0.0 119.524 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 43.6 3.03 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 161.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -123.3 -51.07 1.87 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.373 -1.454 . . . . 0.0 113.847 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.52 169.91 15.46 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 120.976 -1.077 . . . . 0.0 113.488 155.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.26 139.28 2.69 Favored 'General case' 0 CA--C 1.589 2.454 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.765 1 O-C-N 114.481 -5.137 . . . . 0.0 112.869 -10.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 121.685 0.755 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.45 -128.21 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 1 O-C-N 113.255 -5.903 . . . . 0.0 110.012 -11.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.405 0.2 OUTLIER 70.05 -103.01 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.163 -1.585 . . . . 0.0 108.924 -161.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.76 2.6 mt-10 -30.33 107.73 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.184 1 N-CA-C 123.591 4.663 . . . . 0.0 123.591 -136.416 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.291 3.0 pp 22.1 111.35 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 121.044 3.72 . . . . 0.0 121.044 -131.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 1.062 0.0 OUTLIER -86.97 88.11 7.62 Favored 'General case' 0 N--CA 1.522 3.153 1 CA-C-O 128.662 4.077 . . . . 0.0 112.403 166.466 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.277 7.1 mmpt? -50.89 172.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.347 1 CA-C-N 107.854 -4.248 . . . . 0.0 118.692 141.714 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 2.2 m95 68.76 -75.67 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.141 -2.3 . . . . 0.0 115.206 163.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.258 . . -95.15 -146.54 0.27 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.673 159.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.0 p -174.04 34.91 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -149.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.347 0.0 OUTLIER -59.17 136.7 58.04 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -165.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -76.02 139.84 41.67 Favored 'General case' 0 CA--C 1.569 1.705 0 C-N-CA 123.653 0.781 . . . . 0.0 112.507 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--O 1.257 1.462 0 C-N-CA 123.79 0.836 . . . . 0.0 109.454 171.571 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.83 -40.49 79.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.22 -0.925 . . . . 0.0 110.559 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.3 mt -132.68 127.25 34.41 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.543 -0.723 . . . . 0.0 110.239 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.67 -39.99 90.46 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 119.856 -0.737 . . . . 0.0 112.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.31 -33.24 74.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.807 -1.183 . . . . 0.0 111.857 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 8' ' ' TRP . 2.2 t0 -74.79 -3.11 29.78 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 15.29 -67.88 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 6' ' ' ASP . 17.9 p-90 -75.51 -10.08 59.14 Favored 'General case' 0 C--N 1.263 -3.17 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.319 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 6' ' ' ASP . . . -47.42 -28.85 2.29 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 121.4 0.619 . . . . 0.0 111.201 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -79.44 65.09 4.51 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.175 0.988 . . . . 0.0 108.692 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 6.6 mt -151.3 159.67 44.2 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.909 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.3 p90 23.39 49.48 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.104 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.31 0.576 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.0 -39.94 87.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.479 -0.763 . . . . 0.0 110.705 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.08 151.89 31.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.513 -0.742 . . . . 0.0 111.007 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -47.68 -35.91 10.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.569 -0.707 . . . . 0.0 112.279 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -129.67 152.89 48.69 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.213 -0.929 . . . . 0.0 109.662 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -171.68 -64.68 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.347 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.86 -104.07 0.06 Allowed 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.437 ' CE3' ' HA ' ' A' ' 9' ' ' ALA . 50.6 p-90 -66.76 -22.27 66.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.297 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -48.15 -25.34 1.44 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.809 -0.557 . . . . 0.0 111.868 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -86.32 60.76 6.42 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.627 0.727 . . . . 0.0 109.269 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -138.1 159.43 42.04 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 1.0 OUTLIER 64.87 27.28 12.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.108 -0.995 . . . . 0.0 109.837 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.343 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.25 150.26 51.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.201 -0.937 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -138.19 134.25 34.28 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.634 -0.666 . . . . 0.0 109.584 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 62.64 133.45 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.919 0.866 . . . . 0.0 109.652 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 70.8 mt -50.14 144.05 7.52 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.722 -0.611 . . . . 0.0 110.381 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.83 -76.86 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.279 22.0 tptt -55.15 -36.65 66.04 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -35.24 23.0 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.781 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.1 62.71 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 118.974 -1.09 . . . . 0.0 111.969 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -73.26 65.31 0.83 Allowed 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.758 0.79 . . . . 0.0 108.961 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 6.4 mt -140.64 162.35 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.445 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 1.1 m95 63.3 39.21 9.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.319 -0.863 . . . . 0.0 109.725 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.032 0.444 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -125.56 129.99 50.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.552 -0.717 . . . . 0.0 109.654 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -94.56 149.85 20.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.703 . . . . 0.0 110.194 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -49.31 -36.03 19.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.363 -0.835 . . . . 0.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -137.87 143.85 41.1 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.183 -0.948 . . . . 0.0 109.412 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.468 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 8.0 t0 -169.0 77.79 0.11 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 122.983 1.373 . . . . 0.0 109.068 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.269 1.1 mtmm -63.0 -41.59 99.62 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-O 122.639 1.209 . . . . 0.0 110.665 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -94.14 12.55 26.14 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.892 -177.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 6' ' ' ASP . . . -53.24 -37.64 62.25 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -95.87 38.71 1.16 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -126.14 -28.98 3.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.57 -0.706 . . . . 0.0 110.878 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 7.4 m95 -113.98 6.1 16.38 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.509 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.03 -1.044 . . . . 0.0 110.121 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.566 1.587 0 CA-C-O 122.353 1.073 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.08 125.76 30.2 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.964 -1.085 . . . . 0.0 111.11 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.274 1.7 mm? 74.2 142.59 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 123.87 0.868 . . . . 0.0 112.616 -167.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.388 38.1 tt0 72.77 -67.68 0.26 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -172.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.1 tp -75.08 91.71 2.58 Favored 'General case' 0 CA--C 1.569 1.693 0 CA-C-O 122.904 1.335 . . . . 0.0 114.546 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.05 -98.57 0.39 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 156.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.294 26.5 mttt 63.78 -156.75 0.32 Allowed 'General case' 0 CA--C 1.575 1.939 0 O-C-N 120.186 -1.571 . . . . 0.0 114.038 177.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.626 0.0 OUTLIER 40.92 36.13 0.4 Allowed 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.704 4.335 . . . . 0.0 122.704 163.538 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.317 . . -93.47 -118.07 0.09 Allowed 'General case' 0 CA--C 1.587 2.387 0 CA-C-N 111.129 -2.76 . . . . 0.0 109.664 142.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 1.101 2.6 t 37.73 -36.58 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.524 1 N-CA-C 127.853 6.242 . . . . 0.0 127.853 -146.942 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -100.6 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 123.8 3.0 . . . . 0.0 112.428 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -90.27 100.65 13.44 Favored 'General case' 0 CA--C 1.573 1.843 0 O-C-N 120.663 -1.273 . . . . 0.0 111.38 -168.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.495 1.782 0 C-N-CA 124.005 0.922 . . . . 0.0 111.108 -179.072 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.96 132.4 45.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -0.762 . . . . 0.0 110.469 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.11 149.99 47.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.623 -0.673 . . . . 0.0 110.029 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.65 -29.82 68.3 Favored 'General case' 0 N--CA 1.517 2.883 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.542 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.08 -31.35 68.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.913 -1.117 . . . . 0.0 111.599 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.696 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 52.9 m-20 -58.58 -64.12 1.04 Allowed 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 15.3 pttt 22.17 89.74 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 123.311 0.644 . . . . 0.0 111.575 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.652 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 60.24 -31.92 0.06 Allowed 'General case' 0 C--N 1.264 -3.148 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.372 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 6' ' ' ASP . . . -58.46 -17.93 24.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.63 53.86 2.96 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 150.18 48.06 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.806 -0.559 . . . . 0.0 110.571 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 14.1 m0 47.88 40.01 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 111.864 174.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.159 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.575 1.924 0 CA-C-O 120.969 0.414 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.348 3.3 tt 74.12 79.05 0.12 Allowed 'General case' 0 N--CA 1.497 1.88 2 O-C-N 112.792 -6.193 . . . . 0.0 112.527 4.718 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.38 1.5 pt? -0.5 84.62 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.21 3 O-C-N 111.515 -6.99 . . . . 0.0 126.566 -2.798 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -127.72 -54.84 1.32 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.26 1.424 . . . . 0.0 109.386 159.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -24.24 -163.74 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 121.484 3.883 . . . . 0.0 121.484 123.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 7' ' ' LYS 0.436 22.5 t70 55.75 -123.32 1.91 Allowed 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 126.071 1.748 . . . . 0.0 114.596 -178.224 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -20.87 -58.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 121.146 3.758 . . . . 0.0 121.146 160.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.76 7.6 m95 -98.26 67.8 1.87 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 126.29 2.947 . . . . 0.0 113.956 171.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.315 . . -96.13 -30.31 13.59 Favored 'General case' 0 CA--C 1.583 2.221 0 CA-C-N 109.156 -3.656 . . . . 0.0 116.565 137.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.276 10.3 t -102.03 -116.95 0.19 Allowed 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 121.654 2.025 . . . . 0.0 113.821 -168.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.702 0.0 OUTLIER -25.84 -69.35 0.04 OUTLIER 'General case' 0 CA--C 1.586 2.341 1 N-CA-C 123.314 4.561 . . . . 0.0 123.314 -125.475 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -79.95 107.9 13.1 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-N 124.623 3.374 . . . . 0.0 110.524 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.493 1.712 0 C-N-CA 123.598 0.759 . . . . 0.0 111.549 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.556 1.191 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.7 tp -81.35 -114.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.988 -171.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 67.82 117.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 120.404 1.456 . . . . 0.0 112.282 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 10.1 tp10 -137.33 -103.34 0.19 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -163.69 141.95 7.66 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 120.407 1.458 . . . . 0.0 110.335 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -94.94 -21.81 18.39 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -80.03 144.68 33.0 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 120.657 1.571 . . . . 0.0 114.219 -163.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -152.12 113.85 4.38 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 162.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.06 139.17 30.9 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.058 0.543 . . . . 0.0 112.067 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -124.25 -74.94 0.6 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 117.982 -1.008 . . . . 0.0 108.511 170.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.314 1.0 OUTLIER 65.19 -101.14 0.08 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.43 1.092 . . . . 0.0 109.341 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.452 0.0 OUTLIER 160.78 -90.19 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 151.371 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 N--CA 1.493 1.691 0 CA-C-N 121.369 1.895 . . . . 0.0 111.179 178.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.1 tp -91.54 100.89 13.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -157.69 129.78 7.1 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -143.28 -87.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tt -159.45 139.54 11.87 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.135 0.88 . . . . 0.0 109.211 -171.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.42 -26.48 4.99 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -65.41 -179.18 0.59 Allowed 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 118.316 2.71 . . . . 0.0 118.316 -154.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -35.44 5.98 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -155.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -14.42 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.11 -80.77 0.47 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.117 -168.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.423 0.0 OUTLIER 45.75 88.71 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 125.729 1.612 . . . . 0.0 115.04 -172.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.334 0.1 OUTLIER -36.49 -69.47 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 -89.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.264 5.5 p-10 . . . . . 0 N--CA 1.495 1.822 0 CA-C-N 121.737 2.062 . . . . 0.0 109.982 173.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.46 -65.69 0.59 Allowed 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.6 -74.4 0.05 OUTLIER 'General case' 0 CA--C 1.582 2.182 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.5 -51.62 48.86 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.941 1.701 . . . . 0.0 115.551 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 28.4 tp -64.82 -84.95 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.649 2.022 . . . . 0.0 114.582 173.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.35 -52.03 30.73 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -65.9 -60.97 2.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.423 55.6 t90 -57.36 -29.96 64.46 Favored 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 171.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.08 80.62 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 118.842 2.904 . . . . 0.0 118.842 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -73.78 -59.74 2.58 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 1.073 0.0 OUTLIER -39.94 -62.48 0.72 Allowed 'General case' 0 CA--C 1.595 2.706 1 N-CA-C 126.969 5.915 . . . . 0.0 126.969 -143.974 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.363 1.9 t-105 48.42 102.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 3 O-C-N 106.965 -9.835 . . . . 0.0 119.902 9.491 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 168.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.572 1.803 0 CA-C-O 121.896 0.855 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.3 tp -82.65 124.08 29.85 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.844 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.057 2.7 mm? -71.51 -48.58 48.01 Favored 'General case' 0 N--CA 1.506 2.328 1 N-CA-C 123.172 4.508 . . . . 0.0 123.172 -171.626 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.334 33.9 tt0 -97.07 -99.79 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 124.03 3.104 . . . . 0.0 111.292 158.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -165.61 147.03 7.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.365 -1.459 . . . . 0.0 111.888 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.92 113.89 15.18 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -82.63 39.58 0.62 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -164.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.512 0.1 OUTLIER -44.7 92.57 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 -127.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.299 . . -115.3 142.6 46.46 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-N 109.695 -3.412 . . . . 0.0 110.142 -175.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -137.43 93.46 2.81 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.645 1.212 . . . . 0.0 108.279 163.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.86 150.83 47.57 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 1.117 1.8 t-105 -93.32 -114.38 0.1 Allowed 'General case' 0 CA--C 1.577 1.991 0 CA-C-O 115.366 -2.254 . . . . 0.0 113.454 165.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.273 7.2 p-10 . . . . . 0 N--CA 1.506 2.343 1 CA-C-N 126.238 4.108 . . . . 0.0 114.507 -172.271 . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.553 1.091 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -89.65 -137.63 0.12 Allowed 'General case' 0 CA--C 1.575 1.915 0 C-N-CA 123.364 0.666 . . . . 0.0 109.325 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 67.82 113.87 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.101 1.361 . . . . 0.0 114.211 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.271 34.6 tt0 -149.79 -87.54 0.08 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 108.577 153.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 tp -133.89 133.33 41.37 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.851 1.205 . . . . 0.0 111.23 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.39 -36.75 8.74 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.34 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -63.5 162.22 13.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.862 1.665 . . . . 0.0 115.189 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -126.77 137.74 53.26 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.903 0.859 . . . . 0.0 109.391 150.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.68 123.29 41.54 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.155 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 t -130.98 -70.46 0.6 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 117.725 -1.131 . . . . 0.0 109.624 174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 1.0 OUTLIER 72.6 -86.33 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 119.687 1.131 . . . . 0.0 109.25 -174.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.534 0.0 OUTLIER 138.47 -108.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.88 2.072 . . . . 0.0 106.406 151.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-N 121.467 1.939 . . . . 0.0 111.504 -173.652 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.0 tp -91.6 104.3 16.8 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.49 126.19 31.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.351 0.596 . . . . 0.0 110.421 173.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -125.04 -68.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 6.3 tt 73.39 122.83 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.949 1.3 . . . . 0.0 111.302 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.13 106.58 5.86 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.999 0.519 . . . . 0.0 110.002 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.79 60.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.951 0.881 . . . . 0.0 112.101 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -116.28 81.58 1.64 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 105.083 -2.191 . . . . 0.0 105.083 154.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.73 83.95 6.7 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -123.24 -106.49 0.35 Allowed 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.735 -162.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.535 0.0 OUTLIER 45.93 130.92 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -167.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.273 1.9 t-105 -128.75 -179.64 5.19 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.437 1.113 . . . . 0.0 113.383 -167.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -149.128 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.54 155.82 26.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.568 -0.708 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -104.16 150.23 24.54 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -52.22 -26.75 12.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.427 -0.795 . . . . 0.0 112.072 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 7.4 tt -131.76 151.91 51.32 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 121.217 -0.927 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 55.9 t0 95.61 -34.51 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 126.225 1.81 . . . . 0.0 109.705 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.79 65.9 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.437 ' CE3' ' HA ' ' A' ' 9' ' ' ALA . 11.5 p-90 -90.09 -16.13 30.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.063 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -51.44 -22.19 2.86 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.334 -0.854 . . . . 0.0 112.345 -179.026 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -84.63 52.87 2.5 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.599 -0.688 . . . . 0.0 109.832 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 6.1 mt -151.48 164.06 37.61 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 1.1 m95 64.05 30.76 13.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.94 . . . . 0.0 109.99 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.291 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 CA--C 1.568 1.667 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.426 2.2 tt 84.43 102.88 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.885 2 O-C-N 113.048 -6.032 . . . . 0.0 113.227 0.167 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.55 125.81 25.09 Favored 'General case' 0 CA--C 1.577 1.989 2 O-C-N 113.747 -5.596 . . . . 0.0 121.429 22.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -156.15 -79.88 0.08 Allowed 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 173.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.6 mt -61.27 108.94 1.0 Allowed 'General case' 0 CA--C 1.576 1.956 0 O-C-N 119.441 -2.037 . . . . 0.0 114.154 142.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.93 -41.17 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.002 1.382 . . . . 0.0 112.558 -169.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -125.33 -80.05 0.61 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 116.717 -1.611 . . . . 0.0 110.617 -148.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.064 0.0 OUTLIER -97.97 55.85 1.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 125.32 2.486 . . . . 0.0 115.147 170.623 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.74 59.83 4.39 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 110.448 -3.069 . . . . 0.0 115.257 162.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -143.25 -107.38 0.13 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-O 122.52 1.152 . . . . 0.0 108.31 165.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 1.133 0.0 OUTLIER 6.59 -103.99 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.374 1 N-CA-C 128.15 6.352 . . . . 0.0 128.15 -155.01 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -121.82 117.09 25.68 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 123.38 2.809 . . . . 0.0 112.167 -168.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.496 1.847 2 O-C-N 113.739 -5.601 . . . . 0.0 117.826 -12.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.079 0.466 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 tp -124.75 133.7 53.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.632 -0.668 . . . . 0.0 110.317 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt 50.58 38.28 18.39 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.464 -0.773 . . . . 0.0 111.255 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -140.01 122.12 15.76 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 122.239 1.019 . . . . 0.0 110.381 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER 46.84 28.23 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.442 1.115 . . . . 0.0 111.257 178.625 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.54 83.86 1.48 Allowed 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.731 1.253 . . . . 0.0 107.835 179.535 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' CE3' ' A' ' 8' ' ' TRP 0.339 11.2 mttm -68.4 -46.46 69.9 Favored 'General case' 0 C--N 1.265 -3.081 0 CA-C-O 123.348 1.547 . . . . 0.0 111.319 -179.296 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HE3' ' HA ' ' A' ' 8' ' ' TRP 0.282 6.2 m95 -100.08 62.05 1.11 Allowed 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 124.495 2.093 . . . . 0.0 105.519 -175.133 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.303 . . -151.87 -78.65 0.12 Allowed 'General case' 0 C--N 1.269 -2.891 0 CA-C-N 110.68 -2.964 . . . . 0.0 111.987 -173.606 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -86.19 61.23 6.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.51 -0.744 . . . . 0.0 110.852 -179.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 1.4 mt -137.37 -36.37 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.486 -0.758 . . . . 0.0 110.312 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 6.3 m95 -112.96 11.62 19.13 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.949 -0.469 . . . . 0.0 110.981 -177.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.141 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.342 6.5 mp 77.64 -73.49 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.493 1.117 . . . . 0.0 112.136 -166.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.1 88.72 0.61 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -165.36 -42.71 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.606 1.162 . . . . 0.0 113.199 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.89 96.71 2.14 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.576 -1.328 . . . . 0.0 111.933 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -169.95 -58.81 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.14 -153.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -95.6 -69.31 0.76 Allowed 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.309 5.2 t90 -73.86 69.68 1.4 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 125.46 2.552 . . . . 0.0 112.337 174.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.65 74.76 1.24 Allowed 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 178.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.908 0.5 OUTLIER -103.61 -133.15 0.31 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.874 -2.012 . . . . 0.0 112.796 179.258 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 46.5 -101.72 0.06 Allowed 'General case' 0 CA--C 1.597 2.763 0 CA-C-N 124.634 3.379 . . . . 0.0 117.625 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -84.64 109.56 18.09 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.494 1.118 . . . . 0.0 111.786 170.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.49 1.556 0 C-N-CA 123.815 0.846 . . . . 0.0 110.979 -179.217 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.265 0.555 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp 50.05 69.99 0.55 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.49 -0.756 . . . . 0.0 111.362 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.07 -171.82 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.422 -0.799 . . . . 0.0 110.029 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.12 -39.94 57.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 111.825 -179.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 6' ' ' ASP . 14.2 tp -142.44 155.3 45.08 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.708 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 23.0 t0 -159.98 69.98 0.43 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.508 1.147 . . . . 0.0 109.489 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 11.45 -73.6 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 177.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 25.1 p-90 -75.21 -9.99 59.05 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.744 -176.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -26.9 23.93 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.268 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -81.82 64.87 6.71 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 4.4 mt -146.18 167.68 22.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 1.2 m95 65.26 32.76 9.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.397 -0.814 . . . . 0.0 109.855 178.385 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.188 179.722 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.363 6.6 mp 76.35 -75.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.738 1.215 . . . . 0.0 112.681 -170.52 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.28 0.0 OUTLIER -70.43 91.13 0.75 Allowed 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 174.663 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -173.24 -71.19 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -169.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.274 15.4 tp -89.6 -145.88 0.17 Allowed 'General case' 0 CA--C 1.572 1.807 0 C-N-CA 123.433 0.693 . . . . 0.0 111.503 -168.146 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.373 2.9 m-20 45.97 53.27 9.23 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-O 125.185 2.421 . . . . 0.0 116.779 -178.654 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -137.48 -98.09 0.2 Allowed 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.406 0.7 OUTLIER 37.25 77.47 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 157.334 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.19 75.54 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -168.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.766 0.3 OUTLIER -111.76 137.9 49.06 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 157.485 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 61.89 134.81 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.025 -2.352 . . . . 0.0 115.996 -135.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 62.01 105.85 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.643 2.09 . . . . 0.0 116.643 165.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 120.922 -1.111 . . . . 0.0 112.101 172.205 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.8 tp 45.62 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.856 1.662 . . . . 0.0 114.536 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt 56.16 144.71 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -166.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.2 mm-40 -6.21 -81.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.413 1 N-CA-C 123.562 4.653 . . . . 0.0 123.562 175.579 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -91.03 162.78 14.56 Favored 'General case' 0 CA--C 1.55 0.955 2 O-C-N 114.278 -5.264 . . . . 0.0 117.518 33.333 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.94 31.0 3.51 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.587 2.44 . . . . 0.0 117.587 158.31 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 mttt 30.12 74.79 0.04 OUTLIER 'General case' 1 CA--C 1.631 4.092 0 CA-C-O 127.562 3.553 . . . . 0.0 114.973 -141.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.386 0.0 OUTLIER 66.41 38.5 4.31 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 120.092 3.367 . . . . 0.0 120.092 156.572 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.552 ' CA ' ' CB ' ' A' ' 9' ' ' ALA 0.64 . . 46.64 -99.3 0.04 OUTLIER 'General case' 1 CA--C 1.639 4.384 1 CA-C-N 108.125 -4.125 . . . . 0.0 112.71 -147.972 . . . . . . . . 5 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.29 2.17 0.75 Allowed 'General case' 0 N--CA 1.512 2.625 0 O-C-N 118.16 -2.838 . . . . 0.0 116.567 -149.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.734 0.0 OUTLIER 48.21 136.13 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.217 3.414 . . . . 0.0 120.217 -137.144 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -114.48 136.41 53.04 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.581 1.152 . . . . 0.0 110.804 -156.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.524 -171.193 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 CA--C 1.563 1.475 0 CA-C-O 121.948 0.88 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -102.14 98.64 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.866 177.449 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.098 1.9 mm? -83.17 82.43 8.26 Favored 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 175.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -85.34 -65.93 0.96 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 128.088 2.555 . . . . 0.0 111.685 172.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 62.1 156.51 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.89 -106.39 0.38 Allowed 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.38 36.0 mttt 78.07 85.89 0.07 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.736 1.614 . . . . 0.0 113.236 -179.518 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -132.23 80.51 1.91 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.719 1.723 . . . . 0.0 107.575 175.132 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.269 . . -76.81 -162.64 0.28 Allowed 'General case' 0 CA--C 1.573 1.839 0 CA-C-N 113.938 -1.483 . . . . 0.0 113.859 175.397 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -116.8 -82.23 0.63 Allowed 'General case' 0 CA--C 1.576 1.95 0 O-C-N 120.628 -1.295 . . . . 0.0 112.236 -171.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.998 0.0 OUTLIER -6.87 141.5 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.832 1 N-CA-C 129.16 6.726 . . . . 0.0 129.16 -142.407 . . . . . . . . 4 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.758 0.0 OUTLIER -118.95 -127.19 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 115.985 -1.959 . . . . 0.0 112.24 -170.302 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.251 4.1 p30 . . . . . 0 N--CA 1.505 2.276 0 CA-C-N 124.252 3.205 . . . . 0.0 114.959 -160.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 123.161 1.458 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mp -88.25 152.64 21.82 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 111.757 176.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 1.5 mm? 79.97 -69.41 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.535 -174.38 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.35 -69.34 0.43 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.973 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.52 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 -172.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -36.76 39.93 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.41 20.0 mttt -67.24 -73.99 0.12 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 113.675 -3.059 . . . . 0.0 115.718 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.981 4.1 m95 -87.99 56.61 3.94 Favored 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 125.774 3.897 . . . . 0.0 117.743 -178.62 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.309 . . -140.55 -12.41 1.02 Allowed 'General case' 0 CA--C 1.588 2.413 0 C-N-CA 131.22 3.808 . . . . 0.0 113.909 179.096 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.2 t -90.4 -108.63 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 0 O-C-N 120.052 -1.655 . . . . 0.0 108.97 158.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.901 1.1 mm? -13.77 -98.74 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.089 1 N-CA-C 126.347 5.684 . . . . 0.0 126.347 -142.435 . . . . . . . . 3 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -101.32 99.75 10.16 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 122.901 2.591 . . . . 0.0 109.853 172.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.461 6.8 p30 . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -166.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 tp -139.65 110.87 6.97 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.44 132.19 5.18 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.498 0.666 . . . . 0.0 109.354 173.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.283 39.0 mt-10 -105.11 -104.96 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.48 159.02 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.93 2 O-C-N 113.422 -5.799 . . . . 0.0 117.681 -42.651 . . . . . . . . 4 4 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.525 71.0 m-20 116.58 -168.07 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.236 2 O-C-N 112.506 -6.372 . . . . 0.0 109.004 4.223 . . . . . . . . 3 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.308 17.7 tttt 168.64 145.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 116.355 -3.966 . . . . 0.0 110.889 92.558 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.82 51.25 1.87 Allowed 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.67 87.81 7.45 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 151.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -75.27 -48.17 24.53 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.3 1.9 pt? -75.39 138.34 41.65 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -135.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.698 93.0 m95 49.87 -152.94 0.14 Allowed 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -166.344 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.245 0.93 . . . . 0.0 111.545 -145.749 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.208 1.004 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.64 105.12 15.2 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 116.36 -1.781 . . . . 0.0 108.151 164.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.179 0.1 OUTLIER -96.61 97.03 9.05 Favored 'General case' 0 CA--C 1.603 2.987 0 CA-C-O 125.749 2.69 . . . . 0.0 114.508 175.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.267 23.8 tp10 -119.18 -44.04 2.61 Favored 'General case' 0 CA--C 1.596 2.743 0 C-N-CA 131.125 3.77 . . . . 0.0 110.905 178.357 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 1.216 5.8 mp 25.16 -94.24 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 122.063 4.097 . . . . 0.0 122.063 -139.314 . . . . . . . . 3 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -147.9 108.24 4.1 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 123.508 2.867 . . . . 0.0 108.084 155.219 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.65 -52.1 64.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 178.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.251 1.8 p-90 -75.94 54.44 0.83 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.71 4.43 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 156.574 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.5 t -116.86 98.48 6.52 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 123.973 1.844 . . . . 0.0 111.687 -165.19 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.41 150.25 29.47 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.531 1.932 . . . . 0.0 106.421 -174.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.846 4.8 m95 -88.65 -96.31 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.456 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.571 1.785 1 O-C-N 114.422 -5.174 . . . . 0.0 118.892 -81.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -85.25 134.45 34.13 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.541 0.736 . . . . 0.0 109.207 167.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -113.2 -92.54 0.48 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 167.187 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.412 0.0 OUTLIER 67.5 157.71 0.13 Allowed 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 120.242 1.383 . . . . 0.0 111.917 -168.68 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.84 149.74 21.43 Favored 'General case' 0 N--CA 1.487 1.387 2 O-C-N 113.101 -5.999 . . . . 0.0 113.219 27.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.17 101.36 1.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.217 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -89.79 -57.37 2.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.783 -1.099 . . . . 0.0 112.495 179.157 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.282 3.2 t90 67.28 -31.62 0.18 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -157.083 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.324 . . 76.56 65.28 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.883 2.073 . . . . 0.0 112.046 -167.018 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 t -123.65 70.96 1.07 Allowed 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.984 0.897 . . . . 0.0 110.708 -179.208 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.26 138.75 32.54 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 164.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.458 0.7 OUTLIER -85.82 -104.06 0.06 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.32 -173.204 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.495 1.784 0 CA-C-N 121.777 2.08 . . . . 0.0 112.188 -167.491 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.073 0.463 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.96 -27.76 64.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.689 . . . . 0.0 109.921 179.775 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.0 mt 55.48 90.32 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.822 0.82 . . . . 0.0 110.902 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.99 115.45 8.99 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.892 0.853 . . . . 0.0 108.765 178.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER 48.22 26.99 1.18 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.527 1.156 . . . . 0.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.267 1.5 t0 -120.84 33.51 5.55 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 -179.168 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -77.92 78.9 4.41 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 122.384 1.088 . . . . 0.0 110.189 -176.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 8' ' ' TRP 0.31 3.7 m95 52.27 41.38 30.35 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.706 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.308 . . -130.09 -76.94 0.54 Allowed 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 110.378 -3.101 . . . . 0.0 111.063 -172.143 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -54.63 -30.4 54.84 Favored 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.249 -179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.58 152.09 46.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.521 -0.737 . . . . 0.0 110.195 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.425 ' N ' ' CE3' ' A' ' 12' ' ' TRP . 1.2 m95 60.74 37.31 18.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.146 -0.971 . . . . 0.0 110.516 177.382 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.157 179.67 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.74 113.82 9.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.981 0.896 . . . . 0.0 111.67 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -56.3 -87.09 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.668 0 O-C-N 120.345 -1.472 . . . . 0.0 113.347 103.199 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 6.8 tp10 -163.09 -84.33 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 116.309 -1.805 . . . . 0.0 108.224 178.043 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.8 tp -156.01 143.13 19.09 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-N 129.653 5.66 . . . . 0.0 108.728 -12.663 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 83.9 2.13 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.22 -156.514 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.14 67.0 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.273 1.035 . . . . 0.0 112.752 -170.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -83.82 106.68 15.7 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 136.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.03 -12.77 54.67 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.318 2.71 . . . . 0.0 118.318 -166.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.311 5.6 t 90.42 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.077 1.351 . . . . 0.0 113.177 164.428 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 113.33 7.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 167.626 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -156.97 117.44 3.58 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -172.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.447 172.6 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.362 1.4 tt 76.18 97.82 0.07 Allowed 'General case' 0 CA--C 1.579 2.092 2 O-C-N 113.9 -5.5 . . . . 0.0 114.605 0.746 . . . . . . . . 3 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 141.19 54.71 Favored 'General case' 0 CA--C 1.578 2.039 1 O-C-N 113.73 -5.606 . . . . 0.0 119.433 9.686 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -143.95 -42.29 0.27 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.75 96.41 1.62 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 119.199 -2.188 . . . . 0.0 111.437 173.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.98 170.92 15.98 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 111.647 -2.524 . . . . 0.0 108.758 -152.088 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.373 50.3 pttt -30.5 -9.34 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.723 1 N-CA-C 130.195 7.109 . . . . 0.0 130.195 171.686 . . . . . . . . 3 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.041 30.2 t90 -91.31 24.02 3.12 Favored 'General case' 0 N--CA 1.519 2.976 1 CA-C-N 128.757 5.253 . . . . 0.0 118.458 143.418 . . . . . . . . 3 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.84 -144.08 0.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 125.842 1.657 . . . . 0.0 114.282 130.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.367 6.3 t 13.6 72.7 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.458 0 N-CA-C 120.388 3.477 . . . . 0.0 120.388 -177.067 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 12' ' ' TRP 1.134 0.0 OUTLIER 147.23 -124.66 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 131.031 3.732 . . . . 0.0 107.834 -176.144 . . . . . . . . 4 4 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' H ' HD22 ' A' ' 11' ' ' LEU . 16.5 t-105 -72.94 122.61 21.96 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 123.284 2.765 . . . . 0.0 112.676 179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 123.703 0.801 . . . . 0.0 110.623 175.09 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.088 0.47 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 tt -118.33 122.02 41.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -0.802 . . . . 0.0 109.693 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.09 143.7 42.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.595 -0.69 . . . . 0.0 110.452 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.33 -30.91 53.01 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.654 -0.654 . . . . 0.0 111.627 -179.168 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 7.6 tt -111.3 156.48 21.46 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.975 -1.078 . . . . 0.0 110.218 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 54.8 t0 93.38 -31.81 0.02 OUTLIER 'General case' 0 N--CA 1.519 2.979 0 C-N-CA 125.706 1.602 . . . . 0.0 110.991 178.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TRP . 7.7 pttt -52.2 -37.4 54.81 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.78 1.752 . . . . 0.0 108.603 176.519 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 7' ' ' LYS 0.298 6.2 m95 -154.91 42.42 0.46 Allowed 'General case' 0 C--N 1.263 -3.165 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 177.827 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.24 27.14 1.74 Allowed 'General case' 0 N--CA 1.509 2.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.235 -176.172 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 51.83 24.58 2.57 Favored 'General case' 0 N--CA 1.517 2.904 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.869 -178.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.22 154.14 28.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.891 -1.131 . . . . 0.0 109.653 179.694 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CD2' ' N ' ' A' ' 12' ' ' TRP . 1.3 m95 63.29 40.08 8.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.873 -1.142 . . . . 0.0 110.363 177.656 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.292 179.567 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 tp 64.82 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.189 1.396 . . . . 0.0 113.407 -179.288 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 115.44 4.25 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.648 0.779 . . . . 0.0 113.088 -175.57 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.281 38.3 mt-10 74.48 -70.16 0.16 Allowed 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 123.689 0.796 . . . . 0.0 112.163 -172.525 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.27 21.4 tp 50.79 88.16 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 119.559 1.072 . . . . 0.0 112.012 -129.103 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.358 10.0 m-20 -28.32 148.56 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 118.814 2.894 . . . . 0.0 118.814 -172.475 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.264 28.3 ttmt 50.87 14.55 0.19 Allowed 'General case' 0 CA--C 1.574 1.879 0 O-C-N 128.673 3.733 . . . . 0.0 118.364 141.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.275 11.0 t90 48.16 25.99 0.95 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 -164.148 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.543 ' CA ' ' CB ' ' A' ' 9' ' ' ALA . . . 70.34 52.5 0.35 Allowed 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 126.413 1.885 . . . . 0.0 110.74 -174.084 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 31.1 t 54.97 -112.05 0.68 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.393 1.077 . . . . 0.0 112.823 -174.318 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.27 129.09 55.27 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.209 1.004 . . . . 0.0 108.659 168.914 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.49 151.07 45.51 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -175.318 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.258 1.504 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.494 -177.489 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.44 -91.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.049 -173.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.41 110.94 18.58 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.837 1.199 . . . . 0.0 109.337 176.294 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -154.33 -48.11 0.09 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.916 -171.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.45 97.74 3.15 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.507 1.049 . . . . 0.0 112.173 -166.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.39 42.15 2.31 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.154 155.749 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -119.77 -71.79 0.72 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.291 1.036 . . . . 0.0 109.745 -163.112 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -66.56 2.63 1.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.29 83.11 3.06 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.475 1.11 . . . . 0.0 113.094 173.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.377 4.8 p -155.4 -78.93 0.09 Allowed 'General case' 0 CA--C 1.559 1.319 0 O-C-N 121.322 -0.861 . . . . 0.0 110.816 113.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.91 152.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 119.374 0.988 . . . . 0.0 112.867 -146.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.328 1.3 t-105 83.16 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 161.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.403 174.56 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.34 41.2 mt-10 . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 115.533 -2.175 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.7 1.8 mt 151.79 -68.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 3 CA-C-N 131.811 6.642 . . . . 0.0 109.456 -12.437 . . . . . . . . 3 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.759 1.5 mp 59.48 -157.28 0.33 Allowed 'General case' 0 N--CA 1.496 1.869 2 CA-C-N 131.11 6.323 . . . . 0.0 120.207 -0.0 . . . . . . . . 3 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.294 28.2 tt0 0.41 133.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.368 3.47 . . . . 0.0 120.368 -122.316 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -53.37 -55.1 27.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 117.394 -3.316 . . . . 0.0 114.576 -60.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -94.6 -53.61 3.82 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 119.672 1.124 . . . . 0.0 112.396 156.025 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -69.14 130.45 42.73 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -123.229 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.6 69.56 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 95.147 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.252 . . 96.74 125.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.16 1.384 . . . . 0.0 109.04 -152.248 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -80.73 96.44 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -171.162 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.61 125.62 33.28 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 164.247 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -81.88 126.84 32.36 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.746 0.818 . . . . 0.0 110.552 -176.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 123.296 0.638 . . . . 0.0 110.187 179.936 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.74 -40.1 62.77 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 176.483 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.42 -57.49 10.47 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.269 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -98.28 -64.82 1.0 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.535 0.734 . . . . 0.0 111.071 -176.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.38 149.26 50.29 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.637 0.775 . . . . 0.0 111.557 169.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.317 9.4 m-20 83.34 -61.17 0.13 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 123.864 0.866 . . . . 0.0 111.968 -173.386 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -61.04 -40.72 94.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 176.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.54 8.61 17.79 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -173.833 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.21 -60.88 2.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -112.79 65.89 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 119.411 1.005 . . . . 0.0 111.99 -174.422 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mp -126.03 -162.8 1.16 Allowed 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 124.055 0.942 . . . . 0.0 108.814 -175.565 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 34.86 138.41 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 120.313 3.449 . . . . 0.0 120.313 123.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.873 0.869 . . . . 0.0 111.418 173.66 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 tp -88.31 -110.59 0.07 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.648 -175.749 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 70.07 125.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 120.188 1.358 . . . . 0.0 112.74 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.15 -90.09 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -161.22 143.03 11.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.683 1.128 . . . . 0.0 110.327 -178.524 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -125.35 59.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.191 0.596 . . . . 0.0 110.655 169.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -154.55 117.41 4.41 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 -174.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -154.24 96.06 1.89 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.946 0.879 . . . . 0.0 110.429 -164.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.343 . . 67.59 164.32 0.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 120.506 3.521 . . . . 0.0 120.506 122.391 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.451 8.2 t 68.02 -105.52 0.08 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.934 1.693 . . . . 0.0 111.847 -164.353 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.297 1.3 tm? 66.92 -84.78 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 119.681 1.128 . . . . 0.0 109.734 -164.302 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.703 0.1 OUTLIER 124.06 -92.41 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.955 2.502 . . . . 0.0 107.405 162.376 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.252 15.4 p-10 . . . . . 0 N--CA 1.496 1.852 0 CA-C-N 122.476 2.398 . . . . 0.0 111.744 177.716 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.423 5.9 mp 72.31 100.31 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 1 O-C-N 115.51 -4.493 . . . . 0.0 111.559 4.867 . . . . . . . . 3 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.8 OUTLIER 29.09 44.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -167.53 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -155.12 -87.33 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 165.204 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 43.67 70.64 0.3 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -172.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -150.03 -24.12 0.26 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -169.022 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -38.04 -88.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 118.431 2.752 . . . . 0.0 118.431 -168.547 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -102.19 38.44 1.67 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -166.888 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.25 163.55 26.41 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.791 0.805 . . . . 0.0 111.958 137.326 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 11.6 m 154.31 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.776 1.63 . . . . 0.0 111.126 143.359 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.81 -68.12 0.21 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.912 1.233 . . . . 0.0 113.283 158.328 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -78.5 120.76 23.68 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.664 1.186 . . . . 0.0 108.512 164.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.976 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 CA--C 1.557 1.24 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.383 1.5 tt 78.56 94.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 O-C-N 115.602 -4.436 . . . . 0.0 110.215 1.108 . . . . . . . . 3 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -76.0 123.25 25.45 Favored 'General case' 0 CA--C 1.565 1.52 1 O-C-N 115.857 -4.277 . . . . 0.0 115.748 21.582 . . . . . . . . 4 4 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.34 -42.59 0.05 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 126.505 1.922 . . . . 0.0 109.892 175.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -68.33 163.27 23.42 Favored 'General case' 0 CA--C 1.568 1.639 0 C-N-CA 124.673 1.189 . . . . 0.0 112.245 162.305 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.324 6.5 t70 90.07 -71.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 125.348 1.459 . . . . 0.0 108.481 -166.934 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -33.91 -80.05 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 169.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.288 8.0 t90 -103.5 38.1 1.87 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.186 0.903 . . . . 0.0 112.753 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.3 -20.25 19.95 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 135.095 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -59.92 -49.66 76.81 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -176.312 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -64.88 0.77 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.015 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -102.47 114.52 28.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.573 0.624 . . . . 0.0 109.961 -166.832 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.832 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.8 tp -75.53 132.3 40.64 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.568 0.699 . . . . 0.0 109.98 170.519 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -53.33 134.69 39.72 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -165.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.533 2.5 mp0 86.95 -74.81 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 125.801 1.64 . . . . 0.0 111.79 -179.179 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.17 163.81 13.13 Favored 'General case' 0 CA--C 1.569 1.674 2 O-C-N 114.187 -5.32 . . . . 0.0 110.704 -28.196 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.37 1.0 OUTLIER 96.61 -61.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 125.633 1.573 . . . . 0.0 111.596 169.622 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.757 0.0 OUTLIER 133.38 129.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.195 0.998 . . . . 0.0 112.395 118.695 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.613 0.0 OUTLIER 60.86 -84.54 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 126.234 1.813 . . . . 0.0 113.226 -158.814 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 111.72 0.72 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 168.598 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -61.7 135.16 57.51 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -161.757 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 134.05 48.57 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.069 0.548 . . . . 0.0 111.381 172.875 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.312 0.0 OUTLIER -108.93 122.23 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 -146.551 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.178 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.214 0.531 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 tp -89.33 -125.05 0.06 Allowed 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 160.636 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.307 2.7 mm? 51.45 -119.08 1.37 Allowed 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 120.293 1.406 . . . . 0.0 114.589 161.762 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -79.58 -21.99 44.31 Favored 'General case' 0 CA--C 1.57 1.735 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -178.066 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.396 0.4 OUTLIER -81.77 -17.67 46.84 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 122.509 2.413 . . . . 0.0 117.131 -178.566 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.488 0.0 OUTLIER -111.15 59.48 0.61 Allowed 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 123.578 2.899 . . . . 0.0 111.0 145.192 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.23 -54.63 5.1 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.651 149.022 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -95.43 56.77 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.698 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.46 -64.17 1.18 Allowed 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.244 120.116 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 133.12 41.66 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -137.656 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.343 2.3 mm? 71.96 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.821 1.648 . . . . 0.0 113.442 176.681 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.412 48.3 p90 55.0 79.52 0.15 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.289 1.436 . . . . 0.0 114.147 -171.779 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.378 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.347 6.6 mp 77.18 -80.39 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 124.808 1.243 . . . . 0.0 111.705 -178.449 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.0 99.0 8.2 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.725 0.81 . . . . 0.0 109.598 -177.028 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -163.0 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.083 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -99.13 123.09 43.16 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.925 0.784 . . . . 0.0 110.749 -171.622 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.8 -40.49 2.43 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.556 163.296 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -85.39 84.79 7.53 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.402 1.456 . . . . 0.0 111.618 -168.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -160.13 -35.57 0.05 Allowed 'General case' 0 CA--C 1.577 1.981 0 C-N-CA 126.011 1.724 . . . . 0.0 110.062 -173.656 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.75 -59.93 3.13 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 172.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.469 0.3 OUTLIER 52.98 20.21 1.6 Allowed 'General case' 0 CA--C 1.576 1.948 1 N-CA-C 122.86 4.393 . . . . 0.0 122.86 170.715 . . . . . . . . 4 3 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.73 -114.05 0.13 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 121.313 1.87 . . . . 0.0 107.931 167.526 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -87.66 102.01 14.21 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.809 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -174.966 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -81.92 129.51 34.79 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.308 0.643 . . . . 0.0 109.987 177.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.05 154.76 12.11 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -171.667 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -141.47 -72.37 0.34 Allowed 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 118.225 -0.893 . . . . 0.0 109.35 174.215 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.39 133.27 45.83 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.943 1.247 . . . . 0.0 111.051 -177.552 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.35 -92.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 170.177 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.31 87.1 mttt 68.02 75.14 0.28 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 152.125 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -42.81 15.35 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.409 130.562 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.32 -150.31 0.41 Allowed 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 125.665 1.586 . . . . 0.0 112.878 177.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.627 13.9 p 83.61 -36.64 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 173.11 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.266 1.5 tm? -92.23 -96.53 0.13 Allowed 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 122.233 2.288 . . . . 0.0 106.995 157.929 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -82.25 118.43 23.11 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 170.086 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 123.471 0.708 . . . . 0.0 110.592 -172.96 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.556 1.192 0 CA-C-O 120.994 0.426 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.65 126.14 53.34 Favored 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 124.166 0.986 . . . . 0.0 108.35 178.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.437 2.1 mm? 67.84 -171.9 0.19 Allowed 'General case' 0 CA--C 1.575 1.918 1 O-C-N 115.097 -4.752 . . . . 0.0 114.627 -2.162 . . . . . . . . 3 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -72.2 -37.06 69.33 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -162.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.68 102.04 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.713 1.597 . . . . 0.0 115.065 -159.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 163.68 127.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -164.188 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.461 52.3 pttt 65.44 134.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -170.799 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 91.9 m95 62.58 42.31 8.66 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.113 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.29 100.64 0.73 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.327 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t 78.81 127.65 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.649 1.18 . . . . 0.0 112.477 -173.04 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.499 2.7 mm? 90.45 -37.99 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 175.316 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -82.55 104.65 12.98 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 122.359 2.345 . . . . 0.0 107.344 163.419 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.444 10.2 p30 . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 125.075 1.35 . . . . 0.0 114.435 -171.031 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 tp 54.14 85.7 0.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 124.623 1.169 . . . . 0.0 112.858 -173.057 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 3.93 76.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -149.803 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.273 41.5 mt-10 76.67 -54.91 0.58 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 124.981 1.312 . . . . 0.0 113.781 -175.535 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp 59.72 97.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 122.059 2.209 . . . . 0.0 113.213 -113.204 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.53 131.09 44.16 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -154.235 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 75.01 78.82 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.22 1.408 . . . . 0.0 111.465 170.887 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.558 0.0 OUTLIER 16.95 60.28 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 -160.765 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.586 ' CA ' ' CB ' ' A' ' 9' ' ' ALA 0.287 . . 74.45 80.7 0.11 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 128.104 2.561 . . . . 0.0 109.345 179.419 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.486 6.1 t 88.7 -90.76 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -179.53 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.87 174.2 6.49 Favored 'General case' 0 N--CA 1.498 1.966 2 O-C-N 114.18 -5.325 . . . . 0.0 118.278 50.15 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.64 142.42 58.43 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.652 -177.543 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.847 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.556 1.198 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.0 tp -145.04 117.7 8.64 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 178.069 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.301 2.0 mm? -106.26 -103.69 0.33 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.222 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.442 2.0 tt0 23.88 126.12 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 120.123 3.379 . . . . 0.0 120.123 -121.219 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -99.94 111.11 23.43 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.698 -162.573 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.91 -39.02 11.95 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -160.541 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 8' ' ' TRP . 12.0 pttp -15.25 -75.11 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.81 1 N-CA-C 122.092 4.108 . . . . 0.0 122.092 171.504 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' H ' ' HG3' ' A' ' 7' ' ' LYS 0.508 0.0 OUTLIER 26.55 94.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -147.642 . . . . . . . . 4 4 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.52 52.56 2.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -160.192 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -100.88 123.25 44.8 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.517 -0.739 . . . . 0.0 109.029 173.553 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 146.12 54.09 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.447 160.911 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.414 0.3 OUTLIER -88.03 -102.85 0.08 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.34 -172.252 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.751 0 CA-C-N 121.62 2.009 . . . . 0.0 111.98 -166.481 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.561 1.397 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.314 0.7 OUTLIER 64.54 77.27 0.32 Allowed 'General case' 0 CA--C 1.572 1.798 1 O-C-N 115.52 -4.487 . . . . 0.0 114.461 -4.711 . . . . . . . . 4 3 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -78.79 122.83 26.53 Favored 'General case' 0 CA--C 1.558 1.263 1 O-C-N 115.024 -4.798 . . . . 0.0 115.63 21.969 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -161.3 -68.17 0.06 Allowed 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 103.738 -2.69 . . . . 0.0 103.738 170.594 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.24 139.16 44.15 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.262 0.553 . . . . 0.0 110.141 138.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 152.4 -84.84 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 1 N-CA-C 100.158 -4.016 . . . . 0.0 100.158 -172.154 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -50.39 167.31 0.06 Allowed 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 119.834 3.272 . . . . 0.0 119.834 151.339 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.829 33.8 p-90 76.18 40.43 0.25 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 170.85 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.04 85.24 2.26 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 124.221 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.34 113.63 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -164.903 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.593 0.2 OUTLIER 72.09 -85.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 117.012 -1.47 . . . . 0.0 111.777 -163.165 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -76.04 111.51 11.5 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 122.124 2.238 . . . . 0.0 108.074 170.161 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p30 . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 123.6 0.76 . . . . 0.0 109.557 -175.045 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 tp -79.91 137.05 36.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.603 0.761 . . . . 0.0 110.101 171.686 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.262 2.9 mp -111.93 -86.46 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.137 170.644 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.714 0.5 OUTLIER 86.36 122.93 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 125.764 1.626 . . . . 0.0 113.207 -171.291 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.91 123.87 20.08 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 116.375 -3.953 . . . . 0.0 116.092 17.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -108.01 120.6 42.78 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 -179.243 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -104.68 91.79 4.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.42 -165.963 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER -166.87 70.0 0.11 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.297 1.046 . . . . 0.0 110.495 137.846 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 176.4 60.46 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 118.003 -2.935 . . . . 0.0 110.061 77.376 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -78.41 -72.05 0.4 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.342 1.057 . . . . 0.0 110.455 169.476 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.54 126.71 31.36 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.106 0.963 . . . . 0.0 109.69 177.319 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.378 0.0 OUTLIER -78.19 -86.78 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.154 -163.315 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 CA-C-N 121.571 1.987 . . . . 0.0 111.972 -172.152 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.562 1.422 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.351 49.3 mt 79.94 -88.63 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 120.069 1.304 . . . . 0.0 113.015 160.353 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.6 143.48 50.78 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 122.459 1.123 . . . . 0.0 109.902 176.155 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.36 -68.85 0.43 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 116.105 -1.902 . . . . 0.0 108.794 -158.019 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.561 6.2 mt 70.76 -167.92 0.16 Allowed 'General case' 0 N--CA 1.498 1.952 2 CA-C-N 130.116 5.871 . . . . 0.0 116.595 -13.549 . . . . . . . . 3 2 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.74 -82.8 0.63 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.918 0.887 . . . . 0.0 109.099 -175.379 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 9' ' ' ALA 0.294 56.0 mttm 69.53 133.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.264 . . . . 0.0 112.735 -166.398 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER 51.56 -23.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 120.832 3.642 . . . . 0.0 120.832 82.126 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 7' ' ' LYS . . . -113.71 118.28 33.89 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.204 1.802 . . . . 0.0 107.729 -172.72 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -56.93 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -161.335 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.424 0.5 OUTLIER 67.48 142.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 166.344 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -130.94 119.34 21.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.486 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 t30 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.819 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.416 0.9 OUTLIER . . . . . 0 CA--C 1.57 1.733 0 CA-C-O 115.739 -2.077 . . . . 0.0 114.204 . . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.464 43.4 mt 80.75 143.97 0.08 Allowed 'General case' 0 N--CA 1.497 1.893 2 CA-C-N 131.161 6.346 . . . . 0.0 114.002 0.917 . . . . . . . . 3 2 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.2 128.46 40.64 Favored 'General case' 0 N--CA 1.486 1.344 1 O-C-N 113.051 -6.031 . . . . 0.0 109.215 1.155 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.86 134.01 51.21 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -130.052 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.16 -94.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 117.181 -1.39 . . . . 0.0 111.348 -103.849 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.341 0.0 OUTLIER -168.56 112.59 0.59 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 104.397 -2.446 . . . . 0.0 104.397 137.593 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.425 9.0 tttt 87.47 -55.69 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 2 O-C-N 114.471 -5.143 . . . . 0.0 114.931 4.133 . . . . . . . . 3 2 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -141.91 -72.78 0.32 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.888 0.875 . . . . 0.0 110.765 -170.177 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.42 -38.36 9.24 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -158.518 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.395 7.9 p 88.39 46.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 172.718 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.17 152.68 32.45 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -179.567 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -89.11 113.86 25.06 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.429 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.947 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.87 128.63 35.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.479 0.712 . . . . 0.0 109.821 -175.764 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.2 OUTLIER 63.14 147.27 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 179.134 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -77.82 -59.67 2.68 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.539 1.136 . . . . 0.0 113.037 -172.952 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.71 124.84 26.78 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.602 0.761 . . . . 0.0 109.754 -174.478 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 58.26 78.72 0.23 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.695 0.798 . . . . 0.0 110.233 -170.501 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -49.48 -42.48 43.41 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 118.801 2.889 . . . . 0.0 118.801 -158.646 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -71.07 0.16 Allowed 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -164.02 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.505 . . 70.88 -67.89 0.23 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 169.238 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -143.77 72.85 1.37 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 122.372 2.351 . . . . 0.0 113.467 -173.21 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.41 111.58 6.49 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 172.176 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 49.5 -178.22 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 168.516 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 . . . . . 0 N--CA 1.484 1.25 2 O-C-N 112.09 -6.631 . . . . 0.0 110.384 -29.53 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.28 0.562 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.61 -40.05 95.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.723 . . . . 0.0 110.007 179.45 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt 52.86 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.646 -0.659 . . . . 0.0 111.443 179.683 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 45.0 45.73 8.91 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 121.79 0.805 . . . . 0.0 111.788 178.618 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' HA ' ' CA ' ' A' ' 10' ' ' SER . 1.2 tt -156.01 40.71 0.38 Allowed 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 121.852 0.834 . . . . 0.0 110.003 -178.186 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' ALA . 1.7 t0 167.63 -55.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -178.972 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.06 -40.52 96.45 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.415 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.51 18.33 18.15 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 173.842 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 6' ' ' ASP 0.257 . . 46.71 30.15 1.1 Allowed 'General case' 0 N--CA 1.513 2.708 0 CA-C-O 122.125 0.964 . . . . 0.0 109.052 -178.164 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.451 ' CA ' ' HA ' ' A' ' 5' ' ' LEU . 1.4 t 56.56 92.08 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.096 -177.722 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 2.0 mp -60.06 -32.89 71.35 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.489 -0.757 . . . . 0.0 110.56 -179.493 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m0 -139.82 147.49 40.81 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.475 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.656 -1.277 . . . . 0.0 110.412 179.989 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.9 129.0 35.36 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 172.716 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.56 96.92 10.82 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.849 0.46 . . . . 0.0 110.466 -164.537 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -136.17 178.78 6.79 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 122.428 1.109 . . . . 0.0 111.408 -167.232 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.36 34.5 mt 98.2 82.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.351 1.46 . . . . 0.0 113.803 156.882 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -151.88 150.07 29.67 Favored 'General case' 0 CA--C 1.567 1.625 1 O-C-N 116.24 -4.037 . . . . 0.0 108.568 -60.501 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -72.95 -35.01 66.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -179.508 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -60.07 135.41 57.7 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -161.271 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 146.01 30.57 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.935 175.593 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -70.11 153.43 43.17 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.933 0.493 . . . . 0.0 112.215 170.011 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.303 2.5 mm? 79.69 152.18 0.12 Allowed 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 124.421 1.088 . . . . 0.0 111.758 -174.248 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -105.22 0.21 Allowed 'General case' 0 N--CA 1.488 1.444 1 O-C-N 114.578 -5.076 . . . . 0.0 110.796 17.086 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 20.8 m120 . . . . . 0 N--CA 1.493 1.684 0 C-N-CA 124.603 1.161 . . . . 0.0 111.383 -160.228 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -94.64 116.12 28.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.799 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.86 117.78 21.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.125 0.57 . . . . 0.0 109.645 -176.909 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -79.08 -72.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -166.364 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.258 13.1 mt -86.67 -176.93 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.576 1.179 . . . . 0.0 114.096 -165.98 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.12 128.52 36.35 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -125.291 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -142.69 83.76 1.82 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 159.618 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.13 109.49 1.99 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.026 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . 74.34 152.4 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.854 1.428 . . . . 0.0 114.854 -178.747 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.324 66.9 p 63.68 84.81 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.829 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.1 102.49 11.82 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 170.009 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -140.18 127.47 21.21 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -168.835 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 123.261 0.624 . . . . 0.0 111.386 173.585 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.5 tp -94.71 119.8 33.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.309 0.644 . . . . 0.0 110.17 -179.649 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.42 130.38 19.4 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.38 0.672 . . . . 0.0 109.697 174.798 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -155.04 102.0 2.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.38 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.377 17.9 tp 75.39 97.05 0.07 Allowed 'General case' 0 N--CA 1.493 1.676 2 O-C-N 114.528 -5.108 . . . . 0.0 114.709 -6.98 . . . . . . . . 3 2 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.84 -78.62 0.05 OUTLIER 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 123.955 0.902 . . . . 0.0 113.299 -175.013 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.342 37.7 mttp 71.96 -69.9 0.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.679 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.269 54.0 p-90 -18.11 102.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 -156.73 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -62.56 1.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.815 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.301 26.7 t 156.14 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.412 1.485 . . . . 0.0 107.313 147.113 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.77 130.51 54.96 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 168.488 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.326 47.4 t-105 -126.15 -126.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.618 177.082 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 59.9 m-80 . . . . . 0 N--CA 1.494 1.742 0 C-N-CA 124.25 1.02 . . . . 0.0 109.984 -153.671 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.303 47.6 tp -132.02 -72.89 0.52 Allowed 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.952 167.309 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.28 -160.59 0.79 Allowed 'General case' 0 CA--C 1.579 2.078 2 O-C-N 114.46 -5.15 . . . . 0.0 108.743 -10.522 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.75 -18.51 21.83 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.508 -1.995 . . . . 0.0 116.185 150.557 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.42 -87.22 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.135 1.374 . . . . 0.0 111.41 -176.197 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.365 37.3 m-20 58.0 -103.65 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.908 1.283 . . . . 0.0 111.317 -171.461 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -162.98 -58.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 155.408 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -74.67 103.18 4.86 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -134.453 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.06 29.55 7.54 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 162.886 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.369 8.2 t 71.29 -80.55 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.283 1.433 . . . . 0.0 114.401 -176.097 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.352 2.3 tm? 77.3 -65.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.959 1.304 . . . . 0.0 112.522 -171.203 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -62.1 153.85 28.77 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 171.652 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 123.355 0.662 . . . . 0.0 109.712 177.866 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 48.1 mt 78.97 -73.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.758 1.223 . . . . 0.0 113.684 177.912 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 2.7 mm? 75.08 143.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.891 1.276 . . . . 0.0 112.922 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.87 -36.3 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 177.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -75.86 115.09 15.2 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 119.794 1.179 . . . . 0.0 112.228 -171.28 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.59 -66.49 1.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.944 0.898 . . . . 0.0 108.8 172.684 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 46.5 tptt 82.87 -59.67 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 166.764 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.294 67.1 t90 65.69 80.87 0.22 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 123.842 0.857 . . . . 0.0 109.255 -154.359 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.83 -38.19 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -162.464 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -61.32 142.36 56.93 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -165.685 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.14 136.45 37.12 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -152.806 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -28.32 150.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 168.973 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.489 1.524 0 C-N-CA 123.308 0.643 . . . . 0.0 110.648 167.828 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.87 -37.92 87.45 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 170.859 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.67 -39.34 84.13 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.886 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.05 -40.37 95.54 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 166.462 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.84 -39.27 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 116.004 1.854 . . . . 0.0 116.004 171.481 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -58.19 -35.08 71.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 171.284 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.91 -38.63 91.73 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 170.489 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -61.68 -36.54 81.16 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 168.411 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.72 69.45 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 168.119 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 t -61.16 -39.11 88.87 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 169.157 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.86 -39.66 71.8 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 170.903 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -52.66 -39.55 61.96 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 171.081 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 p30 . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 124.273 1.029 . . . . 0.0 112.472 178.437 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.42 119.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.525 1.13 . . . . 0.0 113.108 -173.099 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 152.38 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.965 1.706 . . . . 0.0 115.258 163.651 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.263 7.9 pt-20 63.4 -69.2 0.08 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 115.811 -2.042 . . . . 0.0 114.671 -177.093 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.595 5.2 tp 48.52 -113.2 0.54 Allowed 'General case' 0 C--N 1.387 2.219 0 CA-C-N 123.856 3.026 . . . . 0.0 115.796 -162.495 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.289 13.6 t70 -72.57 -17.93 61.66 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 -178.674 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.3 1.4 pttt 25.82 70.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 1 N-CA-C 122.212 4.153 . . . . 0.0 122.212 155.339 . . . . . . . . 3 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.374 0.0 OUTLIER 50.94 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.965 2 CA-C-N 103.141 -6.391 . . . . 0.0 116.562 156.742 . . . . . . . . 4 3 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.557 ' CA ' ' HA ' ' A' ' 9' ' ' ALA 0.417 . . -150.19 88.66 1.53 Allowed 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.788 -1.195 . . . . 0.0 112.751 -158.191 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.331 8.0 t 49.29 84.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.648 1.579 . . . . 0.0 113.194 169.004 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.626 0.0 OUTLIER 2.13 -118.33 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -139.49 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.31 125.56 0.09 Allowed 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 -137.519 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -178.488 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 14.6 tp 69.4 -91.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.286 1.434 . . . . 0.0 111.741 179.387 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.209 0 CA-C-O 116.19 -1.862 . . . . 0.0 114.234 179.242 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -118.59 -56.92 2.1 Favored 'General case' 1 N--CA 1.558 4.955 0 CA-C-N 123.102 2.683 . . . . 0.0 108.765 -178.606 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.297 56.6 tp 65.38 162.78 0.15 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 124.43 3.286 . . . . 0.0 113.351 -168.117 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.304 10.2 m-20 -48.96 -72.04 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.38 3.467 . . . . 0.0 118.73 -178.752 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.372 39.8 mtmt 87.21 90.72 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.587 1 CA-C-N 105.583 -5.28 . . . . 0.0 109.867 167.969 . . . . . . . . 3 2 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.401 0.0 OUTLIER 59.72 92.99 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 111.609 -2.541 . . . . 0.0 110.859 -161.939 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.549 ' HB1' ' CB ' ' A' ' 9' ' ' ALA 0.58 . . -94.87 0.88 55.18 Favored 'General case' 0 N--CA 1.504 2.264 1 N-CA-C 121.928 4.048 . . . . 0.0 121.928 -153.219 . . . . . . . . 4 3 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.71 94.69 0.42 Allowed 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -157.219 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.603 0.0 OUTLIER 54.94 177.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 109.947 -3.297 . . . . 0.0 117.177 171.88 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.258 0.1 OUTLIER -27.25 -28.75 0.0 OUTLIER 'General case' 0 CA--C 1.595 2.684 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 155.532 . . . . . . . . 4 3 . 1 . 064 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.375 1.694 0 CA-C-N 123.413 2.824 . . . . 0.0 108.176 -164.298 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.269 20.3 tp 73.49 146.75 0.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.807 1.243 . . . . 0.0 113.755 176.785 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 111.95 4.58 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.039 0.935 . . . . 0.0 111.178 175.431 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.378 46.6 mt-10 66.2 -100.68 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 179.79 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HG ' ' H ' ' A' ' 6' ' ' ASP 0.27 12.6 tp 65.41 -175.54 0.18 Allowed 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 119.351 0.978 . . . . 0.0 112.026 -167.679 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.496 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 13.2 m-20 -81.13 108.31 14.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.583 -1.323 . . . . 0.0 107.737 165.331 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -85.14 97.31 9.81 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.77 0.795 . . . . 0.0 109.827 -161.549 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.453 1.7 p90 44.7 68.65 0.52 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -154.434 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.314 . . 59.07 -140.89 0.69 Allowed 'General case' 0 CA--C 1.571 1.755 0 C-N-CA 123.898 0.879 . . . . 0.0 113.093 -167.908 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -82.87 -68.34 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.732 1.151 . . . . 0.0 112.241 -179.972 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 155.17 33.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.423 1.01 . . . . 0.0 112.287 -176.92 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -77.4 115.59 17.29 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.682 0.793 . . . . 0.0 109.162 168.133 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.181 176.616 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 tt 62.45 98.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 125.347 1.459 . . . . 0.0 113.835 173.224 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.411 3.3 mm? 77.94 115.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 2 O-C-N 114.448 -5.158 . . . . 0.0 114.245 -3.252 . . . . . . . . 3 2 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 63.91 77.15 0.33 Allowed 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 175.859 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.311 14.8 tp 66.26 94.65 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 1 O-C-N 114.282 -5.261 . . . . 0.0 119.111 -37.116 . . . . . . . . 3 2 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -138.34 91.45 2.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 163.314 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 tptt 55.68 79.68 0.16 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.364 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 72.3 0.84 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.828 0.823 . . . . 0.0 109.653 176.517 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.16 -67.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.145 0.978 . . . . 0.0 109.132 -177.583 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.3 m -75.25 -53.51 8.66 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.601 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.07 115.26 27.88 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.899 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.423 12.0 p90 58.36 100.18 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -179.645 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.488 1.453 1 O-C-N 115.593 -4.442 . . . . 0.0 109.451 -1.623 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.346 7.0 mp 70.55 85.77 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 2 O-C-N 115.042 -4.786 . . . . 0.0 112.561 0.312 . . . . . . . . 3 2 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 145.35 52.17 Favored 'General case' 0 N--CA 1.491 1.619 1 O-C-N 115.323 -4.611 . . . . 0.0 115.623 8.797 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.56 -52.62 0.35 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -175.304 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 tp -70.2 -71.48 0.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.5 1.046 . . . . 0.0 110.566 174.904 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -2.88 -43.92 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 1 N-CA-C 123.008 4.447 . . . . 0.0 123.008 137.295 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.51 -68.17 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.681 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -95.47 100.13 11.93 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.913 0.779 . . . . 0.0 111.23 -167.434 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 80.04 0.52 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 156.809 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -155.59 -72.57 0.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.436 -169.578 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.25 152.59 42.79 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.105 0.955 . . . . 0.0 110.706 -160.621 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.301 6.3 t-105 85.62 65.65 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 126.065 1.746 . . . . 0.0 110.845 -178.5 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.254 1.3 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -169.855 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -134.9 120.17 18.95 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.235 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.63 160.09 40.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.862 0.839 . . . . 0.0 111.845 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -110.26 -37.54 5.51 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.887 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.42 115.86 11.07 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.253 1.388 . . . . 0.0 110.989 -174.75 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.53 -74.72 0.24 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.427 0.691 . . . . 0.0 112.012 -171.107 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.47 -33.87 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -179.39 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -99.57 149.19 23.51 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.709 1.243 . . . . 0.0 114.219 -143.518 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.61 -172.68 4.25 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.821 153.047 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m 57.7 80.37 0.17 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.664 -1.273 . . . . 0.0 114.184 172.69 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.33 129.84 34.86 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.421 0.629 . . . . 0.0 111.714 -169.219 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.617 0.1 OUTLIER 99.46 -54.16 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.071 1.748 . . . . 0.0 114.472 179.501 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.49 1.57 0 CA-C-N 119.222 0.919 . . . . 0.0 110.243 174.283 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.77 -79.35 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.948 -175.84 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.285 3.8 pp -68.84 131.57 45.34 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 120.113 1.324 . . . . 0.0 112.727 -167.264 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.363 41.4 tt0 76.05 -60.08 0.5 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -164.989 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.296 2.9 tp -69.51 -77.61 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -140.09 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.75 -58.78 5.81 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.634 1.561 . . . . 0.0 114.842 -169.073 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.56 71.91 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.896 2.924 . . . . 0.0 118.896 -176.849 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.35 48.22 1.46 Allowed 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 119.917 1.235 . . . . 0.0 111.839 -166.022 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.2 37.11 1.6 Allowed 'General case' 0 CA--C 1.575 1.92 0 O-C-N 120.086 -1.634 . . . . 0.0 112.404 127.194 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -151.68 79.69 1.27 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 120.852 -1.155 . . . . 0.0 110.7 -179.87 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.482 0.0 OUTLIER 177.4 -83.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 154.717 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -84.45 108.63 17.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 121.265 1.848 . . . . 0.0 108.166 173.106 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 174.813 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 tp -88.69 -116.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.874 -1.06 . . . . 0.0 108.38 173.033 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.564 1.2 pp 37.5 -106.51 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -178.459 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -40.15 47.26 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 179.943 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.7 tp -43.48 -69.04 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -169.052 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.03 -62.23 1.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.635 0.774 . . . . 0.0 112.105 -171.657 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -36.06 -59.98 0.58 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 167.9 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.323 0.0 OUTLIER -98.83 58.98 1.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -179.183 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.75 31.96 6.05 Favored 'General case' 0 CA--C 1.574 1.882 0 CA-C-N 113.665 -1.607 . . . . 0.0 112.562 141.565 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -116.54 -96.2 0.47 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 116.827 -1.559 . . . . 0.0 111.724 -178.452 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.331 1.3 mm? -48.02 -46.29 32.83 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 119.857 3.28 . . . . 0.0 119.857 -136.218 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -116.55 117.66 30.48 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.694 1.588 . . . . 0.0 108.724 153.881 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.442 13.6 p30 . . . . . 0 N--CA 1.488 1.474 0 C-N-CA 125.613 1.565 . . . . 0.0 114.636 -172.01 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 118.799 -0.619 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.379 7.1 mp 76.81 -89.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.776 1.23 . . . . 0.0 110.546 -174.899 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.52 109.9 17.76 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 119.491 1.041 . . . . 0.0 108.809 -178.894 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.88 -84.05 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.95 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HG ' ' H ' ' A' ' 6' ' ' ASP 0.347 17.5 tp 64.03 162.7 0.12 Allowed 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 122.594 1.188 . . . . 0.0 113.794 -171.678 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.474 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 4.5 p30 -47.5 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -101.864 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -115.2 78.16 1.14 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 160.636 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.642 0.0 OUTLIER 111.19 64.24 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 127.204 2.202 . . . . 0.0 113.427 -179.914 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.02 -158.95 0.78 Allowed 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 123.957 0.903 . . . . 0.0 110.223 168.052 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.471 0.2 OUTLIER 131.05 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 147.911 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.344 6.0 tp -40.17 -51.85 2.63 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 121.102 3.742 . . . . 0.0 121.102 -144.898 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -121.73 101.14 7.4 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 154.035 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.439 2.1 p-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -172.788 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.6 tp -133.95 109.55 9.09 Favored 'General case' 0 CA--C 1.562 1.405 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 171.966 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.79 112.49 24.22 Favored 'General case' 0 N--CA 1.483 1.207 1 O-C-N 115.732 -4.355 . . . . 0.0 111.667 8.225 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.269 0.1 OUTLIER -169.86 128.71 0.93 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.226 101.446 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.468 5.0 mp 55.12 -158.13 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 2 O-C-N 114.457 -5.152 . . . . 0.0 119.15 -31.127 . . . . . . . . 3 2 . 1 . 072 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.292 4.8 t70 24.62 -84.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 171.51 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.28 74.88 8.63 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.145 0.974 . . . . 0.0 111.039 166.729 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -94.12 58.04 2.47 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 156.128 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . -100.25 -154.95 0.49 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 120.767 -1.208 . . . . 0.0 111.982 -159.411 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.528 0.6 OUTLIER 14.4 150.22 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.905 1 N-CA-C 124.04 4.83 . . . . 0.0 124.04 -122.444 . . . . . . . . 4 3 . 1 . 072 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.823 0.4 OUTLIER 62.87 -85.21 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 110.819 -2.901 . . . . 0.0 117.769 -166.905 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -102.48 107.69 18.74 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 122.879 2.581 . . . . 0.0 110.782 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.489 1.511 0 C-N-CA 123.814 0.846 . . . . 0.0 109.238 172.272 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.357 6.3 mp 69.1 96.67 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 1 O-C-N 115.344 -4.598 . . . . 0.0 112.866 -1.974 . . . . . . . . 3 2 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 1.0 OUTLIER 55.1 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.131 1.372 . . . . 0.0 114.433 -173.804 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 160.32 -55.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 126.698 1.999 . . . . 0.0 107.631 -164.777 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -50.81 109.17 0.29 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -162.841 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -132.48 -102.56 0.26 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 102.969 -2.975 . . . . 0.0 102.969 156.248 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.261 1.5 mttt 71.72 151.41 0.11 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.399 1.999 . . . . 0.0 116.399 148.722 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.298 2.1 t-105 75.79 -32.13 0.21 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.354 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -3.86 2.44 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -175.979 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.297 0.1 OUTLIER -50.14 -73.24 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.647 1 N-CA-C 122.377 4.214 . . . . 0.0 122.377 -120.484 . . . . . . . . 4 3 . 1 . 073 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.362 1.5 tm? 48.71 139.62 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 O-C-N 116.864 -3.648 . . . . 0.0 115.5 92.206 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.388 0.2 OUTLIER 30.16 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 119.375 3.102 . . . . 0.0 119.375 -179.054 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -172.942 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.259 21.0 tp 71.73 139.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.651 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -135.12 159.95 39.89 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 0.0 109.898 172.082 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.309 66.5 mt-10 87.12 -59.68 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 176.656 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.308 2.9 mt 50.59 86.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.851 1.66 . . . . 0.0 114.051 -162.573 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.49 18.94 6.08 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.725 2.121 . . . . 0.0 116.725 -175.889 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 42.4 mtmt 47.68 52.23 12.92 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -161.83 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.568 0.0 OUTLIER 63.76 -81.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.475 1.51 . . . . 0.0 113.306 -158.113 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.58 28.62 1.79 Allowed 'General case' 0 CA--C 1.577 2.0 0 C-N-CA 125.286 1.434 . . . . 0.0 111.938 164.429 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.622 0.3 OUTLIER 50.55 -79.93 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -147.743 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -151.21 132.12 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 120.953 1.706 . . . . 0.0 110.727 -178.931 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -70.25 135.23 48.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.417 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.55 179.899 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 CA--C 1.559 1.318 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 1.2 tt 74.86 87.39 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 1 O-C-N 115.496 -4.503 . . . . 0.0 111.827 -1.365 . . . . . . . . 3 2 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.77 137.25 41.86 Favored 'General case' 0 N--CA 1.491 1.611 1 O-C-N 115.536 -4.478 . . . . 0.0 112.692 13.527 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -143.66 -75.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.088 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.58 113.38 12.94 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 158.014 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.59 -31.15 1.22 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.858 2.169 . . . . 0.0 116.858 175.199 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.389 7.2 mptt -83.34 -174.76 5.48 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.231 2.287 . . . . 0.0 110.483 162.808 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.383 0.0 OUTLIER -70.94 91.37 0.86 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 121.951 2.159 . . . . 0.0 115.057 -130.609 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.68 60.04 1.59 Allowed 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 111.191 -2.731 . . . . 0.0 108.425 -167.365 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -116.46 -145.84 0.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 174.589 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.714 0.2 OUTLIER 99.49 -120.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 145.31 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -77.55 95.1 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 121.826 2.103 . . . . 0.0 110.174 -164.62 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.255 1.365 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.711 -170.528 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.388 1.0 OUTLIER 81.39 96.97 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 1 O-C-N 115.514 -4.491 . . . . 0.0 110.746 -0.966 . . . . . . . . 4 3 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.17 129.38 38.34 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 116.15 -4.094 . . . . 0.0 114.785 14.073 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -160.27 -72.75 0.07 Allowed 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 177.415 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -105.82 150.46 25.55 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 123.838 1.78 . . . . 0.0 109.419 170.021 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 11.4 m-20 144.92 -64.36 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -111.454 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -73.64 -61.14 1.94 Allowed 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -172.394 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -72.75 -18.5 61.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 -162.211 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -26.58 13.26 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 162.244 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 t -86.35 155.3 20.67 Favored 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 123.572 1.653 . . . . 0.0 111.289 163.865 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.718 3.6 mm? 11.47 -92.7 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.783 1 N-CA-C 124.989 5.181 . . . . 0.0 124.989 -141.587 . . . . . . . . 3 2 . 1 . 076 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -70.3 119.67 14.83 Favored 'General case' 0 N--CA 1.507 2.391 0 CA-C-N 123.124 2.693 . . . . 0.0 110.697 -170.922 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -176.762 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -72.41 161.47 30.78 Favored 'General case' 0 CA--C 1.57 1.732 0 O-C-N 121.739 -0.601 . . . . 0.0 111.695 171.908 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.385 2.0 mm? 91.89 -78.37 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.062 1.345 . . . . 0.0 109.716 -173.841 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.06 -52.86 5.42 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.259 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.5 mt -82.55 161.42 22.31 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.046 1.294 . . . . 0.0 110.601 167.39 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.312 35.0 m-20 79.05 -74.23 0.06 Allowed 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.287 1.035 . . . . 0.0 112.674 172.159 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -62.81 -57.78 9.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.379 1.072 . . . . 0.0 113.502 171.451 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.4 t90 -94.46 55.32 1.95 Allowed 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.436 0.636 . . . . 0.0 111.646 178.861 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.57 -58.81 1.82 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.479 1.112 . . . . 0.0 110.452 175.539 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -73.67 141.66 46.45 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.714 1.245 . . . . 0.0 110.477 159.173 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.34 166.74 21.26 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.986 -138.308 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.265 15.3 t-105 14.67 102.44 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 4 O-C-N 111.103 -7.248 . . . . 0.0 122.96 2.34 . . . . . . . . 3 2 . 1 . 077 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.844 0.858 . . . . 0.0 110.391 174.174 . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 118.721 -0.656 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 7.0 mp 73.34 -90.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.826 1.25 . . . . 0.0 111.085 -177.459 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.66 113.84 18.12 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.557 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -158.3 -59.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.79 -172.886 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.47 116.38 12.85 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -151.337 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -115.89 -121.38 0.3 Allowed 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 158.726 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.536 0.8 OUTLIER 117.43 145.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 O-C-N 119.896 -1.753 . . . . 0.0 112.833 114.153 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -36.3 109.94 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -109.366 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 41.52 1.79 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -167.589 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.283 41.8 t -98.11 -119.67 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.858 -1.151 . . . . 0.0 108.372 167.486 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.376 0.6 OUTLIER 67.36 -86.71 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 120.155 1.343 . . . . 0.0 114.549 -175.43 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.386 1.5 t-105 -39.1 -104.88 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 -128.368 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-N 121.052 1.751 . . . . 0.0 111.277 -166.007 . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.554 1.124 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -129.01 106.71 9.06 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.23 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.29 140.16 34.94 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.669 0.388 . . . . 0.0 110.644 -176.984 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -129.63 -63.9 0.91 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.31 178.875 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.272 60.5 tp 71.82 120.65 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-N 119.935 1.243 . . . . 0.0 111.333 -172.936 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -131.24 92.09 3.13 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 110.022 -169.114 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -109.22 -57.52 2.15 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.025 0.93 . . . . 0.0 111.092 166.586 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.596 0.0 OUTLIER 18.8 97.06 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 121.868 4.025 . . . . 0.0 121.868 -159.927 . . . . . . . . 4 3 . 1 . 079 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.441 . . 83.62 -163.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 124.284 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.413 8.3 t 65.55 -127.19 0.31 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.524 1.53 . . . . 0.0 112.342 -162.724 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD11 ' H ' ' A' ' 12' ' ' TRP 0.577 0.0 OUTLIER 68.38 -76.25 0.06 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.424 . . . . . . . . 4 4 . 1 . 079 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.485 ' H ' HD11 ' A' ' 11' ' ' LEU 0.733 0.0 OUTLIER 78.27 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 126.523 1.929 . . . . 0.0 113.828 175.188 . . . . . . . . 4 4 . 1 . 079 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.256 21.7 p-10 . . . . . 0 N--CA 1.5 2.053 0 CA-C-N 122.954 2.615 . . . . 0.0 111.878 179.07 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.34 140.12 37.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.584 -0.698 . . . . 0.0 110.231 -179.937 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.15 147.44 42.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.586 -0.696 . . . . 0.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -52.78 -32.52 44.14 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.882 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 tt -105.28 14.25 29.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.832 -1.167 . . . . 0.0 111.942 -179.238 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -54.38 -49.13 70.56 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-O 121.639 0.733 . . . . 0.0 111.853 -179.085 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -168.46 -109.85 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.189 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.459 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 56.1 p-90 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.981 -1.074 . . . . 0.0 108.962 177.159 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -41.71 -30.63 0.24 Allowed 'General case' 0 N--CA 1.507 2.378 0 CA-C-O 121.508 0.67 . . . . 0.0 111.582 -179.885 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -84.62 57.49 4.37 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.256 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.86 150.3 47.94 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.773 -0.579 . . . . 0.0 109.574 -179.051 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.2 m0 49.16 39.96 16.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.918 -1.114 . . . . 0.0 111.468 175.31 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.0 p30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.172 -179.841 . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.092 0.472 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.08 -39.85 87.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.436 -0.79 . . . . 0.0 109.985 179.9 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -100.58 141.5 33.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.594 -0.691 . . . . 0.0 109.514 179.307 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -52.66 -39.94 62.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 111.947 -178.581 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 8' ' ' TRP . 15.9 tp -131.87 161.68 32.42 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 120.837 -1.164 . . . . 0.0 108.961 179.265 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.65 -70.09 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.53 -0.731 . . . . 0.0 109.194 -179.24 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.275 28.7 tptt -51.37 -37.06 46.12 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.074 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -86.42 -34.12 20.25 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.762 -178.245 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.03 -59.64 2.67 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.55 -179.21 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -76.0 66.46 2.2 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.487 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -120.92 -29.39 4.62 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.395 0.617 . . . . 0.0 110.517 -179.622 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CE2' ' HB3' ' A' ' 11' ' ' LEU . 7.5 m95 -114.28 9.59 17.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.989 -0.444 . . . . 0.0 111.188 -177.36 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.089 -1.007 . . . . 0.0 110.348 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 tp 53.24 90.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.718 1.207 . . . . 0.0 113.629 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 2.6 pt? 25.92 56.74 0.05 Allowed 'General case' 0 N--CA 1.509 2.515 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -166.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.354 46.8 mt-10 104.7 -61.7 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.982 0 C-N-CA 126.742 2.017 . . . . 0.0 107.932 171.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp 41.03 86.04 0.02 OUTLIER 'General case' 0 C--N 1.378 1.826 0 O-C-N 117.955 -2.966 . . . . 0.0 118.044 -102.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -24.42 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 126.986 3.279 . . . . 0.0 118.737 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 85.16 65.28 0.01 OUTLIER 'General case' 1 N--CA 1.594 6.738 1 CA-C-N 104.448 -5.796 . . . . 0.0 106.446 146.362 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 56.35 76.81 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 124.088 0.955 . . . . 0.0 113.275 -164.185 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.334 . . 31.79 79.03 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 126.641 1.976 . . . . 0.0 116.282 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.339 43.6 t 51.49 -112.12 0.62 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.459 1.104 . . . . 0.0 111.85 -158.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.71 146.52 14.82 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 161.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -63.19 137.75 58.32 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.505 -1.372 . . . . 0.0 112.458 162.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.37 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.555 1.146 0 CA-C-O 121.326 0.584 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.33 -40.95 94.33 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.18 -62.02 1.79 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 119.537 1.062 . . . . 0.0 113.822 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.98 -54.07 2.99 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.19 -63.25 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -167.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.56 -32.29 73.23 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -73.36 -66.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.534 1.061 . . . . 0.0 111.942 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -29.85 69.01 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 -174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -52.7 57.3 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.4 t -78.61 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 117.441 -1.266 . . . . 0.0 110.111 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.308 1.2 mp 47.05 -146.78 0.2 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 155.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -41.68 133.87 2.6 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.172 -1.58 . . . . 0.0 115.17 130.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.105 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.154 0.502 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.45 149.95 24.09 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 0.0 110.032 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.1 144.89 29.46 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.396 -0.815 . . . . 0.0 110.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.4 -39.91 70.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.554 -0.717 . . . . 0.0 112.439 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 23.1 mt -95.7 136.67 35.8 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.645 -1.284 . . . . 0.0 109.656 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.65 -76.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.271 28.4 tptt -58.01 -37.25 73.94 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -83.2 -34.36 25.93 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.005 -177.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . . . -70.43 -58.43 3.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.453 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 64.98 3.47 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -121.6 -32.43 3.81 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.451 0.643 . . . . 0.0 110.281 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 11' ' ' LEU . 6.8 m95 -112.86 4.08 16.71 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.345 -177.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.154 179.665 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 121.351 0.596 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp -75.28 105.38 6.27 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.384 0.9 OUTLIER 54.89 168.98 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -163.201 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -75.85 -18.2 59.53 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.463 1.3 mt 66.13 173.38 0.23 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 116.715 -3.741 . . . . 0.0 118.472 -90.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -128.9 50.5 2.12 Favored 'General case' 0 N--CA 1.513 2.724 1 CA-C-O 130.092 4.758 . . . . 0.0 119.306 151.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.305 81.2 mttt -72.86 -133.44 0.01 OUTLIER 'General case' 0 C--N 1.273 -2.73 1 CA-C-N 103.0 -6.454 . . . . 0.0 107.458 128.753 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -114.3 -14.71 12.22 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.409 -3.087 . . . . 0.0 117.504 143.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.358 . . 156.55 150.66 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.113 1 N-CA-C 98.617 -4.586 . . . . 0.0 98.617 -177.35 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -77.32 113.26 14.9 Favored 'General case' 0 C--N 1.303 -1.45 1 CA-C-N 106.921 -4.672 . . . . 0.0 110.832 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.22 138.24 21.0 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 110.683 -2.962 . . . . 0.0 116.194 -164.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -91.44 112.64 24.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.501 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.004 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.561 1.378 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.396 4.9 tt 74.54 87.44 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 1 O-C-N 115.123 -4.736 . . . . 0.0 114.557 -2.332 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.32 21.2 mt 65.4 33.17 9.12 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 115.02 -4.8 . . . . 0.0 120.324 -29.468 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -159.6 -62.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.506 -1.372 . . . . 0.0 112.534 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.67 -68.11 0.6 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.323 3.3 m-20 44.08 -76.78 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 O-C-N 118.422 -2.673 . . . . 0.0 116.702 100.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -84.18 -56.88 3.42 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.03 0.932 . . . . 0.0 112.655 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -116.59 108.59 16.14 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 119.119 0.872 . . . . 0.0 109.363 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.378 . . 66.61 -166.73 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 2 O-C-N 114.893 -4.879 . . . . 0.0 118.647 -26.514 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.35 13.4 t 75.67 -72.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.31 -30.4 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -167.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -95.45 127.31 41.39 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.845 1.202 . . . . 0.0 110.373 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.49 1.541 1 O-C-N 115.976 -4.202 . . . . 0.0 112.98 2.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.44 -116.29 0.14 Allowed 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.437 1.471 . . . . 0.0 110.568 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -62.82 142.75 58.09 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 173.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.66 -49.38 59.56 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.6 132.94 54.07 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 121.089 -1.007 . . . . 0.0 112.343 161.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.537 0.8 OUTLIER 51.08 86.94 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.058 0 CA-C-O 124.033 1.873 . . . . 0.0 115.881 -156.18 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -80.14 -64.19 1.24 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.627 -1.296 . . . . 0.0 111.864 174.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.42 2.9 m95 -77.81 4.18 12.44 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 119.524 3.157 . . . . 0.0 119.524 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 43.6 3.03 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 161.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -123.3 -51.07 1.87 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.373 -1.454 . . . . 0.0 113.847 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.52 169.91 15.46 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 120.976 -1.077 . . . . 0.0 113.488 155.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.26 139.28 2.69 Favored 'General case' 0 CA--C 1.589 2.454 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.765 1 O-C-N 114.481 -5.137 . . . . 0.0 112.869 -10.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 121.685 0.755 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.45 -128.21 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 1 O-C-N 113.255 -5.903 . . . . 0.0 110.012 -11.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.405 0.2 OUTLIER 70.05 -103.01 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.163 -1.585 . . . . 0.0 108.924 -161.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.76 2.6 mt-10 -30.33 107.73 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.184 1 N-CA-C 123.591 4.663 . . . . 0.0 123.591 -136.416 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.291 3.0 pp 22.1 111.35 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 121.044 3.72 . . . . 0.0 121.044 -131.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 1.062 0.0 OUTLIER -86.97 88.11 7.62 Favored 'General case' 0 N--CA 1.522 3.153 1 CA-C-O 128.662 4.077 . . . . 0.0 112.403 166.466 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.277 7.1 mmpt? -50.89 172.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.347 1 CA-C-N 107.854 -4.248 . . . . 0.0 118.692 141.714 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 2.2 m95 68.76 -75.67 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.141 -2.3 . . . . 0.0 115.206 163.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.258 . . -95.15 -146.54 0.27 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.673 159.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.0 p -174.04 34.91 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -149.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.347 0.0 OUTLIER -59.17 136.7 58.04 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -165.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -76.02 139.84 41.67 Favored 'General case' 0 CA--C 1.569 1.705 0 C-N-CA 123.653 0.781 . . . . 0.0 112.507 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--O 1.257 1.462 0 C-N-CA 123.79 0.836 . . . . 0.0 109.454 171.571 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.0 mp -68.83 -40.49 79.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.22 -0.925 . . . . 0.0 110.559 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.3 mt -132.68 127.25 34.41 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.543 -0.723 . . . . 0.0 110.239 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.67 -39.99 90.46 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 119.856 -0.737 . . . . 0.0 112.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 6' ' ' ASP . 4.3 pp -62.31 -33.24 74.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.807 -1.183 . . . . 0.0 111.857 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.803 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 2.2 t0 -74.79 -3.11 29.78 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 15.29 -67.88 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 6' ' ' ASP . 17.9 p-90 -75.51 -10.08 59.14 Favored 'General case' 0 C--N 1.263 -3.17 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.319 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.803 ' HB2' ' OD1' ' A' ' 6' ' ' ASP . . . -47.42 -28.85 2.29 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 121.4 0.619 . . . . 0.0 111.201 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -79.44 65.09 4.51 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.175 0.988 . . . . 0.0 108.692 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 6.6 mt -151.3 159.67 44.2 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.909 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 1.3 p90 23.39 49.48 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.104 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.31 0.576 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.0 -39.94 87.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.479 -0.763 . . . . 0.0 110.705 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.08 151.89 31.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.513 -0.742 . . . . 0.0 111.007 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -47.68 -35.91 10.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.569 -0.707 . . . . 0.0 112.279 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -129.67 152.89 48.69 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.213 -0.929 . . . . 0.0 109.662 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -171.68 -64.68 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.347 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.86 -104.07 0.06 Allowed 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -179.097 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.424 ' NE1' ' HD2' ' A' ' 7' ' ' LYS . 50.6 p-90 -66.76 -22.27 66.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.297 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -48.15 -25.34 1.44 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.809 -0.557 . . . . 0.0 111.868 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -86.32 60.76 6.42 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.627 0.727 . . . . 0.0 109.269 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 12.6 mt -138.1 159.43 42.04 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 12' ' ' TRP . 1.0 OUTLIER 64.87 27.28 12.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.108 -0.995 . . . . 0.0 109.837 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.343 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.25 150.26 51.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.201 -0.937 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -138.19 134.25 34.28 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.634 -0.666 . . . . 0.0 109.584 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 62.64 133.45 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.919 0.866 . . . . 0.0 109.652 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 70.8 mt -50.14 144.05 7.52 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.722 -0.611 . . . . 0.0 110.381 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.83 -76.86 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.279 22.0 tptt -55.15 -36.65 66.04 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -84.54 -35.24 23.0 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.781 -177.237 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . . . -68.32 -49.1 62.71 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 118.974 -1.09 . . . . 0.0 111.969 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -73.26 65.31 0.83 Allowed 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.758 0.79 . . . . 0.0 108.961 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TRP . 6.4 mt -140.64 162.35 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.528 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.1 m95 63.3 39.21 9.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.319 -0.863 . . . . 0.0 109.725 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.032 0.444 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -125.56 129.99 50.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.552 -0.717 . . . . 0.0 109.654 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -94.56 149.85 20.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.703 . . . . 0.0 110.194 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -49.31 -36.03 19.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.363 -0.835 . . . . 0.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 5' ' ' LEU . 9.6 tt -137.87 143.85 41.1 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.183 -0.948 . . . . 0.0 109.412 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.726 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 8.0 t0 -169.0 77.79 0.11 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 122.983 1.373 . . . . 0.0 109.068 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.269 1.1 mtmm -63.0 -41.59 99.62 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-O 122.639 1.209 . . . . 0.0 110.665 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' HB3' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -94.14 12.55 26.14 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.892 -177.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.726 ' HB2' ' CG ' ' A' ' 6' ' ' ASP . . . -53.24 -37.64 62.25 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -95.87 38.71 1.16 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -126.14 -28.98 3.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.57 -0.706 . . . . 0.0 110.878 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.67 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 7.4 m95 -113.98 6.1 16.38 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.509 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.03 -1.044 . . . . 0.0 110.121 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.566 1.587 0 CA-C-O 122.353 1.073 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.08 125.76 30.2 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.964 -1.085 . . . . 0.0 111.11 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.274 1.7 mm? 74.2 142.59 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 123.87 0.868 . . . . 0.0 112.616 -167.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.388 38.1 tt0 72.77 -67.68 0.26 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -172.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.1 tp -75.08 91.71 2.58 Favored 'General case' 0 CA--C 1.569 1.693 0 CA-C-O 122.904 1.335 . . . . 0.0 114.546 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.05 -98.57 0.39 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 156.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.294 26.5 mttt 63.78 -156.75 0.32 Allowed 'General case' 0 CA--C 1.575 1.939 0 O-C-N 120.186 -1.571 . . . . 0.0 114.038 177.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.626 0.0 OUTLIER 40.92 36.13 0.4 Allowed 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.704 4.335 . . . . 0.0 122.704 163.538 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.317 . . -93.47 -118.07 0.09 Allowed 'General case' 0 CA--C 1.587 2.387 0 CA-C-N 111.129 -2.76 . . . . 0.0 109.664 142.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 1.101 2.6 t 37.73 -36.58 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.524 1 N-CA-C 127.853 6.242 . . . . 0.0 127.853 -146.942 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -100.6 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 123.8 3.0 . . . . 0.0 112.428 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -90.27 100.65 13.44 Favored 'General case' 0 CA--C 1.573 1.843 0 O-C-N 120.663 -1.273 . . . . 0.0 111.38 -168.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.495 1.782 0 C-N-CA 124.005 0.922 . . . . 0.0 111.108 -179.072 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 2' ' ' LEU . 4.5 mm? -99.96 132.4 45.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -0.762 . . . . 0.0 110.469 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.11 149.99 47.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.623 -0.673 . . . . 0.0 110.029 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.65 -29.82 68.3 Favored 'General case' 0 N--CA 1.517 2.883 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.542 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.08 -31.35 68.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.913 -1.117 . . . . 0.0 111.599 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 52.9 m-20 -58.58 -64.12 1.04 Allowed 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 15.3 pttt 22.17 89.74 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 123.311 0.644 . . . . 0.0 111.575 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.652 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 60.24 -31.92 0.06 Allowed 'General case' 0 C--N 1.264 -3.148 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.372 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 6' ' ' ASP . . . -58.46 -17.93 24.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.63 53.86 2.96 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.89 150.18 48.06 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.806 -0.559 . . . . 0.0 110.571 -178.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 14.1 m0 47.88 40.01 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 111.864 174.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.159 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.575 1.924 0 CA-C-O 120.969 0.414 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.348 3.3 tt 74.12 79.05 0.12 Allowed 'General case' 0 N--CA 1.497 1.88 2 O-C-N 112.792 -6.193 . . . . 0.0 112.527 4.718 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.38 1.5 pt? -0.5 84.62 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.21 3 O-C-N 111.515 -6.99 . . . . 0.0 126.566 -2.798 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -127.72 -54.84 1.32 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.26 1.424 . . . . 0.0 109.386 159.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -24.24 -163.74 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 121.484 3.883 . . . . 0.0 121.484 123.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.436 22.5 t70 55.75 -123.32 1.91 Allowed 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 126.071 1.748 . . . . 0.0 114.596 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -20.87 -58.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 121.146 3.758 . . . . 0.0 121.146 160.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.76 7.6 m95 -98.26 67.8 1.87 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 126.29 2.947 . . . . 0.0 113.956 171.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.315 . . -96.13 -30.31 13.59 Favored 'General case' 0 CA--C 1.583 2.221 0 CA-C-N 109.156 -3.656 . . . . 0.0 116.565 137.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.276 10.3 t -102.03 -116.95 0.19 Allowed 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 121.654 2.025 . . . . 0.0 113.821 -168.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.702 0.0 OUTLIER -25.84 -69.35 0.04 OUTLIER 'General case' 0 CA--C 1.586 2.341 1 N-CA-C 123.314 4.561 . . . . 0.0 123.314 -125.475 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -79.95 107.9 13.1 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-N 124.623 3.374 . . . . 0.0 110.524 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.493 1.712 0 C-N-CA 123.598 0.759 . . . . 0.0 111.549 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.556 1.191 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.7 tp -81.35 -114.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.988 -171.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 67.82 117.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 120.404 1.456 . . . . 0.0 112.282 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 10.1 tp10 -137.33 -103.34 0.19 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -163.69 141.95 7.66 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 120.407 1.458 . . . . 0.0 110.335 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -94.94 -21.81 18.39 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -80.03 144.68 33.0 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 120.657 1.571 . . . . 0.0 114.219 -163.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -152.12 113.85 4.38 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 162.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.06 139.17 30.9 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.058 0.543 . . . . 0.0 112.067 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -124.25 -74.94 0.6 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 117.982 -1.008 . . . . 0.0 108.511 170.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.314 1.0 OUTLIER 65.19 -101.14 0.08 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.43 1.092 . . . . 0.0 109.341 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.452 0.0 OUTLIER 160.78 -90.19 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 151.371 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 N--CA 1.493 1.691 0 CA-C-N 121.369 1.895 . . . . 0.0 111.179 178.874 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.1 tp -91.54 100.89 13.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -157.69 129.78 7.1 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -143.28 -87.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tt -159.45 139.54 11.87 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.135 0.88 . . . . 0.0 109.211 -171.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.42 -26.48 4.99 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -65.41 -179.18 0.59 Allowed 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 118.316 2.71 . . . . 0.0 118.316 -154.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -35.44 5.98 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -155.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -14.42 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.11 -80.77 0.47 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.117 -168.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.423 0.0 OUTLIER 45.75 88.71 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 125.729 1.612 . . . . 0.0 115.04 -172.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.334 0.1 OUTLIER -36.49 -69.47 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 -89.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.264 5.5 p-10 . . . . . 0 N--CA 1.495 1.822 0 CA-C-N 121.737 2.062 . . . . 0.0 109.982 173.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.46 -65.69 0.59 Allowed 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.6 -74.4 0.05 OUTLIER 'General case' 0 CA--C 1.582 2.182 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.5 -51.62 48.86 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.941 1.701 . . . . 0.0 115.551 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 28.4 tp -64.82 -84.95 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.649 2.022 . . . . 0.0 114.582 173.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.35 -52.03 30.73 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -65.9 -60.97 2.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.423 55.6 t90 -57.36 -29.96 64.46 Favored 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 171.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.08 80.62 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 118.842 2.904 . . . . 0.0 118.842 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -73.78 -59.74 2.58 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 1.073 0.0 OUTLIER -39.94 -62.48 0.72 Allowed 'General case' 0 CA--C 1.595 2.706 1 N-CA-C 126.969 5.915 . . . . 0.0 126.969 -143.974 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.363 1.9 t-105 48.42 102.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 3 O-C-N 106.965 -9.835 . . . . 0.0 119.902 9.491 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 168.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.572 1.803 0 CA-C-O 121.896 0.855 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.3 tp -82.65 124.08 29.85 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.844 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.057 2.7 mm? -71.51 -48.58 48.01 Favored 'General case' 0 N--CA 1.506 2.328 1 N-CA-C 123.172 4.508 . . . . 0.0 123.172 -171.626 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.334 33.9 tt0 -97.07 -99.79 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 124.03 3.104 . . . . 0.0 111.292 158.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -165.61 147.03 7.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.365 -1.459 . . . . 0.0 111.888 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.92 113.89 15.18 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -82.63 39.58 0.62 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -164.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.512 0.1 OUTLIER -44.7 92.57 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 -127.559 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.299 . . -115.3 142.6 46.46 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-N 109.695 -3.412 . . . . 0.0 110.142 -175.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -137.43 93.46 2.81 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.645 1.212 . . . . 0.0 108.279 163.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.86 150.83 47.57 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 1.117 1.8 t-105 -93.32 -114.38 0.1 Allowed 'General case' 0 CA--C 1.577 1.991 0 CA-C-O 115.366 -2.254 . . . . 0.0 113.454 165.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.273 7.2 p-10 . . . . . 0 N--CA 1.506 2.343 1 CA-C-N 126.238 4.108 . . . . 0.0 114.507 -172.271 . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.553 1.091 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -89.65 -137.63 0.12 Allowed 'General case' 0 CA--C 1.575 1.915 0 C-N-CA 123.364 0.666 . . . . 0.0 109.325 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 67.82 113.87 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.101 1.361 . . . . 0.0 114.211 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.271 34.6 tt0 -149.79 -87.54 0.08 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 108.577 153.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 tp -133.89 133.33 41.37 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.851 1.205 . . . . 0.0 111.23 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.39 -36.75 8.74 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.34 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -63.5 162.22 13.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.862 1.665 . . . . 0.0 115.189 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -126.77 137.74 53.26 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.903 0.859 . . . . 0.0 109.391 150.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.68 123.29 41.54 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.155 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 t -130.98 -70.46 0.6 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 117.725 -1.131 . . . . 0.0 109.624 174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 1.0 OUTLIER 72.6 -86.33 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 119.687 1.131 . . . . 0.0 109.25 -174.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.534 0.0 OUTLIER 138.47 -108.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.88 2.072 . . . . 0.0 106.406 151.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-N 121.467 1.939 . . . . 0.0 111.504 -173.652 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.0 tp -91.6 104.3 16.8 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.49 126.19 31.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.351 0.596 . . . . 0.0 110.421 173.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -125.04 -68.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 6.3 tt 73.39 122.83 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.949 1.3 . . . . 0.0 111.302 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.13 106.58 5.86 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.999 0.519 . . . . 0.0 110.002 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.79 60.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.951 0.881 . . . . 0.0 112.101 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -116.28 81.58 1.64 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 105.083 -2.191 . . . . 0.0 105.083 154.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.73 83.95 6.7 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -123.24 -106.49 0.35 Allowed 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.735 -162.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.535 0.0 OUTLIER 45.93 130.92 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -167.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.273 1.9 t-105 -128.75 -179.64 5.19 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.437 1.113 . . . . 0.0 113.383 -167.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -149.128 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.54 155.82 26.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.568 -0.708 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -104.16 150.23 24.54 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -52.22 -26.75 12.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.427 -0.795 . . . . 0.0 112.072 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 7.4 tt -131.76 151.91 51.32 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 121.217 -0.927 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 55.9 t0 95.61 -34.51 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 126.225 1.81 . . . . 0.0 109.705 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.79 65.9 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 9' ' ' ALA . 11.5 p-90 -90.09 -16.13 30.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.063 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -51.44 -22.19 2.86 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.334 -0.854 . . . . 0.0 112.345 -179.026 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -84.63 52.87 2.5 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.599 -0.688 . . . . 0.0 109.832 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 6.1 mt -151.48 164.06 37.61 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.1 m95 64.05 30.76 13.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.94 . . . . 0.0 109.99 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.291 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 CA--C 1.568 1.667 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.426 2.2 tt 84.43 102.88 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.885 2 O-C-N 113.048 -6.032 . . . . 0.0 113.227 0.167 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.55 125.81 25.09 Favored 'General case' 0 CA--C 1.577 1.989 2 O-C-N 113.747 -5.596 . . . . 0.0 121.429 22.403 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -156.15 -79.88 0.08 Allowed 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 173.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.6 mt -61.27 108.94 1.0 Allowed 'General case' 0 CA--C 1.576 1.956 0 O-C-N 119.441 -2.037 . . . . 0.0 114.154 142.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.93 -41.17 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.002 1.382 . . . . 0.0 112.558 -169.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -125.33 -80.05 0.61 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 116.717 -1.611 . . . . 0.0 110.617 -148.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.064 0.0 OUTLIER -97.97 55.85 1.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 125.32 2.486 . . . . 0.0 115.147 170.623 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.74 59.83 4.39 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 110.448 -3.069 . . . . 0.0 115.257 162.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -143.25 -107.38 0.13 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-O 122.52 1.152 . . . . 0.0 108.31 165.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.703 ' H ' HD13 ' A' ' 11' ' ' LEU 1.133 0.0 OUTLIER 6.59 -103.99 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.374 1 N-CA-C 128.15 6.352 . . . . 0.0 128.15 -155.01 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -121.82 117.09 25.68 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 123.38 2.809 . . . . 0.0 112.167 -168.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.496 1.847 2 O-C-N 113.739 -5.601 . . . . 0.0 117.826 -12.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.079 0.466 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' A' ' 10' ' ' SER . 41.4 tp -124.75 133.7 53.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.632 -0.668 . . . . 0.0 110.317 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt 50.58 38.28 18.39 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.464 -0.773 . . . . 0.0 111.255 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -140.01 122.12 15.76 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 122.239 1.019 . . . . 0.0 110.381 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER 46.84 28.23 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.442 1.115 . . . . 0.0 111.257 178.625 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -148.54 83.86 1.48 Allowed 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.731 1.253 . . . . 0.0 107.835 179.535 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' CE3' ' A' ' 8' ' ' TRP 0.339 11.2 mttm -68.4 -46.46 69.9 Favored 'General case' 0 C--N 1.265 -3.081 0 CA-C-O 123.348 1.547 . . . . 0.0 111.319 -179.296 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD2' ' N ' ' A' ' 8' ' ' TRP 0.282 6.2 m95 -100.08 62.05 1.11 Allowed 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 124.495 2.093 . . . . 0.0 105.519 -175.133 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 6' ' ' ASP 0.303 . . -151.87 -78.65 0.12 Allowed 'General case' 0 C--N 1.269 -2.891 0 CA-C-N 110.68 -2.964 . . . . 0.0 111.987 -173.606 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 2' ' ' LEU . 1.3 p -86.19 61.23 6.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.51 -0.744 . . . . 0.0 110.852 -179.255 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 1.4 mt -137.37 -36.37 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.486 -0.758 . . . . 0.0 110.312 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 6.3 m95 -112.96 11.62 19.13 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.949 -0.469 . . . . 0.0 110.981 -177.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.141 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.342 6.5 mp 77.64 -73.49 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.493 1.117 . . . . 0.0 112.136 -166.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.1 88.72 0.61 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.05 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -165.36 -42.71 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.606 1.162 . . . . 0.0 113.199 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.89 96.71 2.14 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.576 -1.328 . . . . 0.0 111.933 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -169.95 -58.81 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.14 -153.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -95.6 -69.31 0.76 Allowed 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.309 5.2 t90 -73.86 69.68 1.4 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 125.46 2.552 . . . . 0.0 112.337 174.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.65 74.76 1.24 Allowed 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 178.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.908 0.5 OUTLIER -103.61 -133.15 0.31 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.874 -2.012 . . . . 0.0 112.796 179.258 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 46.5 -101.72 0.06 Allowed 'General case' 0 CA--C 1.597 2.763 0 CA-C-N 124.634 3.379 . . . . 0.0 117.625 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -84.64 109.56 18.09 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.494 1.118 . . . . 0.0 111.786 170.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.49 1.556 0 C-N-CA 123.815 0.846 . . . . 0.0 110.979 -179.217 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.265 0.555 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp 50.05 69.99 0.55 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.49 -0.756 . . . . 0.0 111.362 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -125.07 -171.82 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.422 -0.799 . . . . 0.0 110.029 179.64 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.12 -39.94 57.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 111.825 -179.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 6' ' ' ASP . 14.2 tp -142.44 155.3 45.08 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.708 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 23.0 t0 -159.98 69.98 0.43 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.508 1.147 . . . . 0.0 109.489 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 11.45 -73.6 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 177.471 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 25.1 p-90 -75.21 -9.99 59.05 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.744 -176.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . . . -53.61 -26.9 23.93 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.268 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -81.82 64.87 6.71 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 4.4 mt -146.18 167.68 22.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.2 m95 65.26 32.76 9.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.397 -0.814 . . . . 0.0 109.855 178.385 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.188 179.722 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.363 6.6 mp 76.35 -75.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.738 1.215 . . . . 0.0 112.681 -170.52 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' H ' HD13 ' A' ' 3' ' ' LEU 0.28 0.0 OUTLIER -70.43 91.13 0.75 Allowed 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 174.663 . . . . . . . . 4 4 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -173.24 -71.19 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -169.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 6' ' ' ASP 0.274 15.4 tp -89.6 -145.88 0.17 Allowed 'General case' 0 CA--C 1.572 1.807 0 C-N-CA 123.433 0.693 . . . . 0.0 111.503 -168.146 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' H ' ' HG ' ' A' ' 5' ' ' LEU 0.373 2.9 m-20 45.97 53.27 9.23 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-O 125.185 2.421 . . . . 0.0 116.779 -178.654 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -137.48 -98.09 0.2 Allowed 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.406 0.7 OUTLIER 37.25 77.47 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 157.334 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.19 75.54 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -168.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.766 0.3 OUTLIER -111.76 137.9 49.06 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 157.485 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 61.89 134.81 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.025 -2.352 . . . . 0.0 115.996 -135.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 62.01 105.85 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.643 2.09 . . . . 0.0 116.643 165.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 120.922 -1.111 . . . . 0.0 112.101 172.205 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.8 tp 45.62 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.856 1.662 . . . . 0.0 114.536 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt 56.16 144.71 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -166.636 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.2 mm-40 -6.21 -81.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.413 1 N-CA-C 123.562 4.653 . . . . 0.0 123.562 175.579 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.3 pt? -91.03 162.78 14.56 Favored 'General case' 0 CA--C 1.55 0.955 2 O-C-N 114.278 -5.264 . . . . 0.0 117.518 33.333 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.94 31.0 3.51 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.587 2.44 . . . . 0.0 117.587 158.31 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 mttt 30.12 74.79 0.04 OUTLIER 'General case' 1 CA--C 1.631 4.092 0 CA-C-O 127.562 3.553 . . . . 0.0 114.973 -141.753 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.386 0.0 OUTLIER 66.41 38.5 4.31 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 120.092 3.367 . . . . 0.0 120.092 156.572 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.552 ' CB ' ' CA ' ' A' ' 9' ' ' ALA 0.64 . . 46.64 -99.3 0.04 OUTLIER 'General case' 1 CA--C 1.639 4.384 1 CA-C-N 108.125 -4.125 . . . . 0.0 112.71 -147.972 . . . . . . . . 5 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.29 2.17 0.75 Allowed 'General case' 0 N--CA 1.512 2.625 0 O-C-N 118.16 -2.838 . . . . 0.0 116.567 -149.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.734 0.0 OUTLIER 48.21 136.13 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.217 3.414 . . . . 0.0 120.217 -137.144 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -114.48 136.41 53.04 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.581 1.152 . . . . 0.0 110.804 -156.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.524 -171.193 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 CA--C 1.563 1.475 0 CA-C-O 121.948 0.88 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -102.14 98.64 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.866 177.449 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 3' ' ' LEU 1.098 1.9 mm? -83.17 82.43 8.26 Favored 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 175.65 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -85.34 -65.93 0.96 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 128.088 2.555 . . . . 0.0 111.685 172.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 62.1 156.51 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.89 -106.39 0.38 Allowed 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.38 36.0 mttt 78.07 85.89 0.07 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.736 1.614 . . . . 0.0 113.236 -179.518 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -132.23 80.51 1.91 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.719 1.723 . . . . 0.0 107.575 175.132 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.269 . . -76.81 -162.64 0.28 Allowed 'General case' 0 CA--C 1.573 1.839 0 CA-C-N 113.938 -1.483 . . . . 0.0 113.859 175.397 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -116.8 -82.23 0.63 Allowed 'General case' 0 CA--C 1.576 1.95 0 O-C-N 120.628 -1.295 . . . . 0.0 112.236 -171.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.998 0.0 OUTLIER -6.87 141.5 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.832 1 N-CA-C 129.16 6.726 . . . . 0.0 129.16 -142.407 . . . . . . . . 4 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.758 0.0 OUTLIER -118.95 -127.19 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 115.985 -1.959 . . . . 0.0 112.24 -170.302 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.251 4.1 p30 . . . . . 0 N--CA 1.505 2.276 0 CA-C-N 124.252 3.205 . . . . 0.0 114.959 -160.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 123.161 1.458 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mp -88.25 152.64 21.82 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 111.757 176.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 1.5 mm? 79.97 -69.41 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.535 -174.38 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.35 -69.34 0.43 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.973 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.52 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 -172.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -36.76 39.93 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.41 20.0 mttt -67.24 -73.99 0.12 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 113.675 -3.059 . . . . 0.0 115.718 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.981 4.1 m95 -87.99 56.61 3.94 Favored 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 125.774 3.897 . . . . 0.0 117.743 -178.62 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.309 . . -140.55 -12.41 1.02 Allowed 'General case' 0 CA--C 1.588 2.413 0 C-N-CA 131.22 3.808 . . . . 0.0 113.909 179.096 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.2 t -90.4 -108.63 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 0 O-C-N 120.052 -1.655 . . . . 0.0 108.97 158.319 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.901 1.1 mm? -13.77 -98.74 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.089 1 N-CA-C 126.347 5.684 . . . . 0.0 126.347 -142.435 . . . . . . . . 3 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -101.32 99.75 10.16 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 122.901 2.591 . . . . 0.0 109.853 172.141 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.461 6.8 p30 . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -166.234 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 tp -139.65 110.87 6.97 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.44 132.19 5.18 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.498 0.666 . . . . 0.0 109.354 173.483 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.283 39.0 mt-10 -105.11 -104.96 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.48 159.02 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.93 2 O-C-N 113.422 -5.799 . . . . 0.0 117.681 -42.651 . . . . . . . . 4 4 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.525 71.0 m-20 116.58 -168.07 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.236 2 O-C-N 112.506 -6.372 . . . . 0.0 109.004 4.223 . . . . . . . . 3 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.308 17.7 tttt 168.64 145.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 116.355 -3.966 . . . . 0.0 110.889 92.558 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.82 51.25 1.87 Allowed 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.67 87.81 7.45 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 151.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -75.27 -48.17 24.53 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.3 1.9 pt? -75.39 138.34 41.65 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -135.494 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.698 93.0 m95 49.87 -152.94 0.14 Allowed 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -166.344 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.245 0.93 . . . . 0.0 111.545 -145.749 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.208 1.004 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.64 105.12 15.2 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 116.36 -1.781 . . . . 0.0 108.151 164.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.179 0.1 OUTLIER -96.61 97.03 9.05 Favored 'General case' 0 CA--C 1.603 2.987 0 CA-C-O 125.749 2.69 . . . . 0.0 114.508 175.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.267 23.8 tp10 -119.18 -44.04 2.61 Favored 'General case' 0 CA--C 1.596 2.743 0 C-N-CA 131.125 3.77 . . . . 0.0 110.905 178.357 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' ' 5' ' ' LEU 1.216 5.8 mp 25.16 -94.24 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 122.063 4.097 . . . . 0.0 122.063 -139.314 . . . . . . . . 4 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -147.9 108.24 4.1 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 123.508 2.867 . . . . 0.0 108.084 155.219 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.65 -52.1 64.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 178.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.251 1.8 p-90 -75.94 54.44 0.83 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.71 4.43 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 156.574 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.5 t -116.86 98.48 6.52 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 123.973 1.844 . . . . 0.0 111.687 -165.19 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.41 150.25 29.47 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.531 1.932 . . . . 0.0 106.421 -174.559 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.846 4.8 m95 -88.65 -96.31 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.456 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.571 1.785 1 O-C-N 114.422 -5.174 . . . . 0.0 118.892 -81.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -85.25 134.45 34.13 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.541 0.736 . . . . 0.0 109.207 167.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -113.2 -92.54 0.48 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 167.187 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.412 0.0 OUTLIER 67.5 157.71 0.13 Allowed 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 120.242 1.383 . . . . 0.0 111.917 -168.68 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.84 149.74 21.43 Favored 'General case' 0 N--CA 1.487 1.387 2 O-C-N 113.101 -5.999 . . . . 0.0 113.219 27.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.17 101.36 1.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.217 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -89.79 -57.37 2.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.783 -1.099 . . . . 0.0 112.495 179.157 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.282 3.2 t90 67.28 -31.62 0.18 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -157.083 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.324 . . 76.56 65.28 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.883 2.073 . . . . 0.0 112.046 -167.018 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 t -123.65 70.96 1.07 Allowed 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.984 0.897 . . . . 0.0 110.708 -179.208 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.26 138.75 32.54 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 164.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.458 0.7 OUTLIER -85.82 -104.06 0.06 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.32 -173.204 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.495 1.784 0 CA-C-N 121.777 2.08 . . . . 0.0 112.188 -167.491 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.073 0.463 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.96 -27.76 64.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.689 . . . . 0.0 109.921 179.775 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.0 mt 55.48 90.32 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.822 0.82 . . . . 0.0 110.902 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.99 115.45 8.99 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.892 0.853 . . . . 0.0 108.765 178.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER 48.22 26.99 1.18 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.527 1.156 . . . . 0.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.267 1.5 t0 -120.84 33.51 5.55 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 -179.168 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -77.92 78.9 4.41 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 122.384 1.088 . . . . 0.0 110.189 -176.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 8' ' ' TRP 0.31 3.7 m95 52.27 41.38 30.35 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.706 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.308 . . -130.09 -76.94 0.54 Allowed 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 110.378 -3.101 . . . . 0.0 111.063 -172.143 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -54.63 -30.4 54.84 Favored 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.249 -179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.58 152.09 46.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.521 -0.737 . . . . 0.0 110.195 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CE3' ' N ' ' A' ' 12' ' ' TRP . 1.2 m95 60.74 37.31 18.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.146 -0.971 . . . . 0.0 110.516 177.382 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.157 179.67 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.74 113.82 9.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.981 0.896 . . . . 0.0 111.67 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -56.3 -87.09 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.668 0 O-C-N 120.345 -1.472 . . . . 0.0 113.347 103.199 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 6.8 tp10 -163.09 -84.33 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 116.309 -1.805 . . . . 0.0 108.224 178.043 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.8 tp -156.01 143.13 19.09 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-N 129.653 5.66 . . . . 0.0 108.728 -12.663 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 83.9 2.13 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.22 -156.514 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.14 67.0 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.273 1.035 . . . . 0.0 112.752 -170.845 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -83.82 106.68 15.7 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 136.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.03 -12.77 54.67 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.318 2.71 . . . . 0.0 118.318 -166.597 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.311 5.6 t 90.42 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.077 1.351 . . . . 0.0 113.177 164.428 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 113.33 7.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 167.626 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -156.97 117.44 3.58 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -172.151 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.447 172.6 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.362 1.4 tt 76.18 97.82 0.07 Allowed 'General case' 0 CA--C 1.579 2.092 2 O-C-N 113.9 -5.5 . . . . 0.0 114.605 0.746 . . . . . . . . 3 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 141.19 54.71 Favored 'General case' 0 CA--C 1.578 2.039 1 O-C-N 113.73 -5.606 . . . . 0.0 119.433 9.686 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -143.95 -42.29 0.27 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.75 96.41 1.62 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 119.199 -2.188 . . . . 0.0 111.437 173.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.98 170.92 15.98 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 111.647 -2.524 . . . . 0.0 108.758 -152.088 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.373 50.3 pttt -30.5 -9.34 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.723 1 N-CA-C 130.195 7.109 . . . . 0.0 130.195 171.686 . . . . . . . . 3 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.041 30.2 t90 -91.31 24.02 3.12 Favored 'General case' 0 N--CA 1.519 2.976 1 CA-C-N 128.757 5.253 . . . . 0.0 118.458 143.418 . . . . . . . . 3 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.84 -144.08 0.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 125.842 1.657 . . . . 0.0 114.282 130.426 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.367 6.3 t 13.6 72.7 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.458 0 N-CA-C 120.388 3.477 . . . . 0.0 120.388 -177.067 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 12' ' ' TRP 1.134 0.0 OUTLIER 147.23 -124.66 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 131.031 3.732 . . . . 0.0 107.834 -176.144 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.741 ' H ' HD22 ' A' ' 11' ' ' LEU . 16.5 t-105 -72.94 122.61 21.96 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 123.284 2.765 . . . . 0.0 112.676 179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 123.703 0.801 . . . . 0.0 110.623 175.09 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.088 0.47 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 tt -118.33 122.02 41.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -0.802 . . . . 0.0 109.693 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.09 143.7 42.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.595 -0.69 . . . . 0.0 110.452 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.33 -30.91 53.01 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.654 -0.654 . . . . 0.0 111.627 -179.168 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 7.6 tt -111.3 156.48 21.46 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.975 -1.078 . . . . 0.0 110.218 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 54.8 t0 93.38 -31.81 0.02 OUTLIER 'General case' 0 N--CA 1.519 2.979 0 C-N-CA 125.706 1.602 . . . . 0.0 110.991 178.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TRP . 7.7 pttt -52.2 -37.4 54.81 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.78 1.752 . . . . 0.0 108.603 176.519 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 7' ' ' LYS 0.298 6.2 m95 -154.91 42.42 0.46 Allowed 'General case' 0 C--N 1.263 -3.165 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 177.827 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . . . 49.24 27.14 1.74 Allowed 'General case' 0 N--CA 1.509 2.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.235 -176.172 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 51.83 24.58 2.57 Favored 'General case' 0 N--CA 1.517 2.904 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.869 -178.98 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 9' ' ' ALA . 53.6 mt -62.22 154.14 28.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.891 -1.131 . . . . 0.0 109.653 179.694 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CD2' ' N ' ' A' ' 12' ' ' TRP . 1.3 m95 63.29 40.08 8.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.873 -1.142 . . . . 0.0 110.363 177.656 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.292 179.567 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 tp 64.82 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.189 1.396 . . . . 0.0 113.407 -179.288 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.526 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -62.52 115.44 4.25 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.648 0.779 . . . . 0.0 113.088 -175.57 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.281 38.3 mt-10 74.48 -70.16 0.16 Allowed 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 123.689 0.796 . . . . 0.0 112.163 -172.525 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.27 21.4 tp 50.79 88.16 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 119.559 1.072 . . . . 0.0 112.012 -129.103 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.358 10.0 m-20 -28.32 148.56 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 118.814 2.894 . . . . 0.0 118.814 -172.475 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.264 28.3 ttmt 50.87 14.55 0.19 Allowed 'General case' 0 CA--C 1.574 1.879 0 O-C-N 128.673 3.733 . . . . 0.0 118.364 141.906 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.275 11.0 t90 48.16 25.99 0.95 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 -164.148 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.543 ' CB ' ' CA ' ' A' ' 9' ' ' ALA . . . 70.34 52.5 0.35 Allowed 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 126.413 1.885 . . . . 0.0 110.74 -174.084 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 31.1 t 54.97 -112.05 0.68 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.393 1.077 . . . . 0.0 112.823 -174.318 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.27 129.09 55.27 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.209 1.004 . . . . 0.0 108.659 168.914 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.49 151.07 45.51 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -175.318 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.258 1.504 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.494 -177.489 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.44 -91.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.049 -173.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.41 110.94 18.58 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.837 1.199 . . . . 0.0 109.337 176.294 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -154.33 -48.11 0.09 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.916 -171.613 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.45 97.74 3.15 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.507 1.049 . . . . 0.0 112.173 -166.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.39 42.15 2.31 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.154 155.749 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -119.77 -71.79 0.72 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.291 1.036 . . . . 0.0 109.745 -163.112 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -66.56 2.63 1.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.29 83.11 3.06 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.475 1.11 . . . . 0.0 113.094 173.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.377 4.8 p -155.4 -78.93 0.09 Allowed 'General case' 0 CA--C 1.559 1.319 0 O-C-N 121.322 -0.861 . . . . 0.0 110.816 113.78 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.91 152.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 119.374 0.988 . . . . 0.0 112.867 -146.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.328 1.3 t-105 83.16 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 161.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.403 174.56 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.34 41.2 mt-10 . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 115.533 -2.175 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.7 1.8 mt 151.79 -68.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 3 CA-C-N 131.811 6.642 . . . . 0.0 109.456 -12.437 . . . . . . . . 3 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.759 1.5 mp 59.48 -157.28 0.33 Allowed 'General case' 0 N--CA 1.496 1.869 2 CA-C-N 131.11 6.323 . . . . 0.0 120.207 -0.0 . . . . . . . . 3 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.294 28.2 tt0 0.41 133.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.368 3.47 . . . . 0.0 120.368 -122.316 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -53.37 -55.1 27.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 117.394 -3.316 . . . . 0.0 114.576 -60.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -94.6 -53.61 3.82 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 119.672 1.124 . . . . 0.0 112.396 156.025 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -69.14 130.45 42.73 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -123.229 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.6 69.56 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 95.147 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.252 . . 96.74 125.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.16 1.384 . . . . 0.0 109.04 -152.248 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -80.73 96.44 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -171.162 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.61 125.62 33.28 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 164.247 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -81.88 126.84 32.36 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.746 0.818 . . . . 0.0 110.552 -176.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 123.296 0.638 . . . . 0.0 110.187 179.936 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.74 -40.1 62.77 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 176.483 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.42 -57.49 10.47 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.269 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -98.28 -64.82 1.0 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.535 0.734 . . . . 0.0 111.071 -176.76 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.38 149.26 50.29 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.637 0.775 . . . . 0.0 111.557 169.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.317 9.4 m-20 83.34 -61.17 0.13 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 123.864 0.866 . . . . 0.0 111.968 -173.386 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -61.04 -40.72 94.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 176.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.54 8.61 17.79 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -173.833 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.21 -60.88 2.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -112.79 65.89 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 119.411 1.005 . . . . 0.0 111.99 -174.422 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mp -126.03 -162.8 1.16 Allowed 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 124.055 0.942 . . . . 0.0 108.814 -175.565 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 34.86 138.41 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 120.313 3.449 . . . . 0.0 120.313 123.503 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.873 0.869 . . . . 0.0 111.418 173.66 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 tp -88.31 -110.59 0.07 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.648 -175.749 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 70.07 125.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 120.188 1.358 . . . . 0.0 112.74 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.15 -90.09 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -161.22 143.03 11.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.683 1.128 . . . . 0.0 110.327 -178.524 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -125.35 59.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.191 0.596 . . . . 0.0 110.655 169.868 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -154.55 117.41 4.41 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 -174.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -154.24 96.06 1.89 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.946 0.879 . . . . 0.0 110.429 -164.906 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.343 . . 67.59 164.32 0.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 120.506 3.521 . . . . 0.0 120.506 122.391 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.451 8.2 t 68.02 -105.52 0.08 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.934 1.693 . . . . 0.0 111.847 -164.353 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.297 1.3 tm? 66.92 -84.78 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 119.681 1.128 . . . . 0.0 109.734 -164.302 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.703 0.1 OUTLIER 124.06 -92.41 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.955 2.502 . . . . 0.0 107.405 162.376 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.252 15.4 p-10 . . . . . 0 N--CA 1.496 1.852 0 CA-C-N 122.476 2.398 . . . . 0.0 111.744 177.716 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.423 5.9 mp 72.31 100.31 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 1 O-C-N 115.51 -4.493 . . . . 0.0 111.559 4.867 . . . . . . . . 3 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.8 OUTLIER 29.09 44.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -167.53 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -155.12 -87.33 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 165.204 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 43.67 70.64 0.3 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -172.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -150.03 -24.12 0.26 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -169.022 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' H ' ' HD3' ' A' ' 7' ' ' LYS 0.323 0.0 OUTLIER -38.04 -88.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 118.431 2.752 . . . . 0.0 118.431 -168.547 . . . . . . . . 4 4 . 1 . 042 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -102.19 38.44 1.67 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -166.888 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.25 163.55 26.41 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.791 0.805 . . . . 0.0 111.958 137.326 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 11.6 m 154.31 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.776 1.63 . . . . 0.0 111.126 143.359 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.81 -68.12 0.21 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.912 1.233 . . . . 0.0 113.283 158.328 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -78.5 120.76 23.68 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.664 1.186 . . . . 0.0 108.512 164.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.976 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 CA--C 1.557 1.24 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.383 1.5 tt 78.56 94.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 O-C-N 115.602 -4.436 . . . . 0.0 110.215 1.108 . . . . . . . . 3 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -76.0 123.25 25.45 Favored 'General case' 0 CA--C 1.565 1.52 1 O-C-N 115.857 -4.277 . . . . 0.0 115.748 21.582 . . . . . . . . 4 4 . 1 . 043 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.34 -42.59 0.05 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 126.505 1.922 . . . . 0.0 109.892 175.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -68.33 163.27 23.42 Favored 'General case' 0 CA--C 1.568 1.639 0 C-N-CA 124.673 1.189 . . . . 0.0 112.245 162.305 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.324 6.5 t70 90.07 -71.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 125.348 1.459 . . . . 0.0 108.481 -166.934 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -33.91 -80.05 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 169.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.288 8.0 t90 -103.5 38.1 1.87 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.186 0.903 . . . . 0.0 112.753 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.3 -20.25 19.95 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 135.095 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -59.92 -49.66 76.81 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -176.312 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -64.88 0.77 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.015 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -102.47 114.52 28.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.573 0.624 . . . . 0.0 109.961 -166.832 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.832 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.8 tp -75.53 132.3 40.64 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.568 0.699 . . . . 0.0 109.98 170.519 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -53.33 134.69 39.72 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -165.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.533 2.5 mp0 86.95 -74.81 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 125.801 1.64 . . . . 0.0 111.79 -179.179 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.17 163.81 13.13 Favored 'General case' 0 CA--C 1.569 1.674 2 O-C-N 114.187 -5.32 . . . . 0.0 110.704 -28.196 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.37 1.0 OUTLIER 96.61 -61.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 125.633 1.573 . . . . 0.0 111.596 169.622 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.757 0.0 OUTLIER 133.38 129.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.195 0.998 . . . . 0.0 112.395 118.695 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.613 0.0 OUTLIER 60.86 -84.54 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 126.234 1.813 . . . . 0.0 113.226 -158.814 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 111.72 0.72 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 168.598 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -61.7 135.16 57.51 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -161.757 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 134.05 48.57 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.069 0.548 . . . . 0.0 111.381 172.875 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.312 0.0 OUTLIER -108.93 122.23 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 -146.551 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.178 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.214 0.531 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 tp -89.33 -125.05 0.06 Allowed 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 160.636 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.307 2.7 mm? 51.45 -119.08 1.37 Allowed 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 120.293 1.406 . . . . 0.0 114.589 161.762 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -79.58 -21.99 44.31 Favored 'General case' 0 CA--C 1.57 1.735 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -178.066 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.396 0.4 OUTLIER -81.77 -17.67 46.84 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 122.509 2.413 . . . . 0.0 117.131 -178.566 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.488 0.0 OUTLIER -111.15 59.48 0.61 Allowed 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 123.578 2.899 . . . . 0.0 111.0 145.192 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.23 -54.63 5.1 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.651 149.022 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -95.43 56.77 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.698 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.46 -64.17 1.18 Allowed 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.244 120.116 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 133.12 41.66 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -137.656 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.343 2.3 mm? 71.96 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.821 1.648 . . . . 0.0 113.442 176.681 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.412 48.3 p90 55.0 79.52 0.15 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.289 1.436 . . . . 0.0 114.147 -171.779 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.378 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.347 6.6 mp 77.18 -80.39 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 124.808 1.243 . . . . 0.0 111.705 -178.449 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.0 99.0 8.2 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.725 0.81 . . . . 0.0 109.598 -177.028 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -163.0 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.083 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -99.13 123.09 43.16 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.925 0.784 . . . . 0.0 110.749 -171.622 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.8 -40.49 2.43 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.556 163.296 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -85.39 84.79 7.53 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.402 1.456 . . . . 0.0 111.618 -168.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -160.13 -35.57 0.05 Allowed 'General case' 0 CA--C 1.577 1.981 0 C-N-CA 126.011 1.724 . . . . 0.0 110.062 -173.656 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.75 -59.93 3.13 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 172.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.469 0.3 OUTLIER 52.98 20.21 1.6 Allowed 'General case' 0 CA--C 1.576 1.948 1 N-CA-C 122.86 4.393 . . . . 0.0 122.86 170.715 . . . . . . . . 4 3 . 1 . 046 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.73 -114.05 0.13 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 121.313 1.87 . . . . 0.0 107.931 167.526 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -87.66 102.01 14.21 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.809 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -174.966 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -81.92 129.51 34.79 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.308 0.643 . . . . 0.0 109.987 177.749 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.05 154.76 12.11 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -171.667 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -141.47 -72.37 0.34 Allowed 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 118.225 -0.893 . . . . 0.0 109.35 174.215 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.39 133.27 45.83 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.943 1.247 . . . . 0.0 111.051 -177.552 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.35 -92.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 170.177 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.31 87.1 mttt 68.02 75.14 0.28 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 152.125 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -42.81 15.35 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.409 130.562 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.32 -150.31 0.41 Allowed 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 125.665 1.586 . . . . 0.0 112.878 177.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.627 13.9 p 83.61 -36.64 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 173.11 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.266 1.5 tm? -92.23 -96.53 0.13 Allowed 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 122.233 2.288 . . . . 0.0 106.995 157.929 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -82.25 118.43 23.11 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 170.086 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 123.471 0.708 . . . . 0.0 110.592 -172.96 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.556 1.192 0 CA-C-O 120.994 0.426 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.65 126.14 53.34 Favored 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 124.166 0.986 . . . . 0.0 108.35 178.879 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.437 2.1 mm? 67.84 -171.9 0.19 Allowed 'General case' 0 CA--C 1.575 1.918 1 O-C-N 115.097 -4.752 . . . . 0.0 114.627 -2.162 . . . . . . . . 3 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -72.2 -37.06 69.33 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -162.714 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.68 102.04 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.713 1.597 . . . . 0.0 115.065 -159.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 163.68 127.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -164.188 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.461 52.3 pttt 65.44 134.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -170.799 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 91.9 m95 62.58 42.31 8.66 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.113 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.29 100.64 0.73 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.327 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t 78.81 127.65 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.649 1.18 . . . . 0.0 112.477 -173.04 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.499 2.7 mm? 90.45 -37.99 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 175.316 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -82.55 104.65 12.98 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 122.359 2.345 . . . . 0.0 107.344 163.419 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.444 10.2 p30 . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 125.075 1.35 . . . . 0.0 114.435 -171.031 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 tp 54.14 85.7 0.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 124.623 1.169 . . . . 0.0 112.858 -173.057 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 3.93 76.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -149.803 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.273 41.5 mt-10 76.67 -54.91 0.58 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 124.981 1.312 . . . . 0.0 113.781 -175.535 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp 59.72 97.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 122.059 2.209 . . . . 0.0 113.213 -113.204 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.53 131.09 44.16 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -154.235 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 75.01 78.82 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.22 1.408 . . . . 0.0 111.465 170.887 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.558 0.0 OUTLIER 16.95 60.28 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 -160.765 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.586 ' CB ' ' CA ' ' A' ' 9' ' ' ALA 0.287 . . 74.45 80.7 0.11 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 128.104 2.561 . . . . 0.0 109.345 179.419 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.486 6.1 t 88.7 -90.76 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -179.53 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.87 174.2 6.49 Favored 'General case' 0 N--CA 1.498 1.966 2 O-C-N 114.18 -5.325 . . . . 0.0 118.278 50.15 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.64 142.42 58.43 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.652 -177.543 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.847 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.556 1.198 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.0 tp -145.04 117.7 8.64 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 178.069 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.301 2.0 mm? -106.26 -103.69 0.33 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.222 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.442 2.0 tt0 23.88 126.12 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 120.123 3.379 . . . . 0.0 120.123 -121.219 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -99.94 111.11 23.43 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.698 -162.573 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.91 -39.02 11.95 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -160.541 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -15.25 -75.11 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.81 1 N-CA-C 122.092 4.108 . . . . 0.0 122.092 171.504 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.508 0.0 OUTLIER 26.55 94.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -147.642 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.52 52.56 2.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -160.192 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -100.88 123.25 44.8 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.517 -0.739 . . . . 0.0 109.029 173.553 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 146.12 54.09 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.447 160.911 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.414 0.3 OUTLIER -88.03 -102.85 0.08 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.34 -172.252 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.751 0 CA-C-N 121.62 2.009 . . . . 0.0 111.98 -166.481 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.561 1.397 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.314 0.7 OUTLIER 64.54 77.27 0.32 Allowed 'General case' 0 CA--C 1.572 1.798 1 O-C-N 115.52 -4.487 . . . . 0.0 114.461 -4.711 . . . . . . . . 4 3 . 1 . 051 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.1 pt? -78.79 122.83 26.53 Favored 'General case' 0 CA--C 1.558 1.263 1 O-C-N 115.024 -4.798 . . . . 0.0 115.63 21.969 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -161.3 -68.17 0.06 Allowed 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 103.738 -2.69 . . . . 0.0 103.738 170.594 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.24 139.16 44.15 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.262 0.553 . . . . 0.0 110.141 138.92 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 152.4 -84.84 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 1 N-CA-C 100.158 -4.016 . . . . 0.0 100.158 -172.154 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -50.39 167.31 0.06 Allowed 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 119.834 3.272 . . . . 0.0 119.834 151.339 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.829 33.8 p-90 76.18 40.43 0.25 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 170.85 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.04 85.24 2.26 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 124.221 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.34 113.63 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -164.903 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.593 0.2 OUTLIER 72.09 -85.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 117.012 -1.47 . . . . 0.0 111.777 -163.165 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -76.04 111.51 11.5 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 122.124 2.238 . . . . 0.0 108.074 170.161 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p30 . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 123.6 0.76 . . . . 0.0 109.557 -175.045 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 tp -79.91 137.05 36.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.603 0.761 . . . . 0.0 110.101 171.686 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.262 2.9 mp -111.93 -86.46 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.137 170.644 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.714 0.5 OUTLIER 86.36 122.93 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 125.764 1.626 . . . . 0.0 113.207 -171.291 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.91 123.87 20.08 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 116.375 -3.953 . . . . 0.0 116.092 17.949 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -108.01 120.6 42.78 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 -179.243 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -104.68 91.79 4.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.42 -165.963 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER -166.87 70.0 0.11 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.297 1.046 . . . . 0.0 110.495 137.846 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 176.4 60.46 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 118.003 -2.935 . . . . 0.0 110.061 77.376 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -78.41 -72.05 0.4 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.342 1.057 . . . . 0.0 110.455 169.476 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.54 126.71 31.36 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.106 0.963 . . . . 0.0 109.69 177.319 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.378 0.0 OUTLIER -78.19 -86.78 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.154 -163.315 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 CA-C-N 121.571 1.987 . . . . 0.0 111.972 -172.152 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.562 1.422 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.351 49.3 mt 79.94 -88.63 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 120.069 1.304 . . . . 0.0 113.015 160.353 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.6 143.48 50.78 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 122.459 1.123 . . . . 0.0 109.902 176.155 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.36 -68.85 0.43 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 116.105 -1.902 . . . . 0.0 108.794 -158.019 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.561 6.2 mt 70.76 -167.92 0.16 Allowed 'General case' 0 N--CA 1.498 1.952 2 CA-C-N 130.116 5.871 . . . . 0.0 116.595 -13.549 . . . . . . . . 3 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.74 -82.8 0.63 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.918 0.887 . . . . 0.0 109.099 -175.379 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.294 56.0 mttm 69.53 133.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.264 . . . . 0.0 112.735 -166.398 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER 51.56 -23.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 120.832 3.642 . . . . 0.0 120.832 82.126 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 118.28 33.89 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.204 1.802 . . . . 0.0 107.729 -172.72 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -56.93 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -161.335 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.424 0.5 OUTLIER 67.48 142.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 166.344 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -130.94 119.34 21.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.486 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 t30 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.819 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.416 0.9 OUTLIER . . . . . 0 CA--C 1.57 1.733 0 CA-C-O 115.739 -2.077 . . . . 0.0 114.204 . . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.464 43.4 mt 80.75 143.97 0.08 Allowed 'General case' 0 N--CA 1.497 1.893 2 CA-C-N 131.161 6.346 . . . . 0.0 114.002 0.917 . . . . . . . . 3 2 . 1 . 054 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -94.2 128.46 40.64 Favored 'General case' 0 N--CA 1.486 1.344 1 O-C-N 113.051 -6.031 . . . . 0.0 109.215 1.155 . . . . . . . . 4 4 . 1 . 054 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.86 134.01 51.21 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -130.052 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.16 -94.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 117.181 -1.39 . . . . 0.0 111.348 -103.849 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.341 0.0 OUTLIER -168.56 112.59 0.59 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 104.397 -2.446 . . . . 0.0 104.397 137.593 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.425 9.0 tttt 87.47 -55.69 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 2 O-C-N 114.471 -5.143 . . . . 0.0 114.931 4.133 . . . . . . . . 3 2 . 1 . 054 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -141.91 -72.78 0.32 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.888 0.875 . . . . 0.0 110.765 -170.177 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.42 -38.36 9.24 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -158.518 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.395 7.9 p 88.39 46.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 172.718 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.17 152.68 32.45 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -179.567 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -89.11 113.86 25.06 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.429 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.947 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.87 128.63 35.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.479 0.712 . . . . 0.0 109.821 -175.764 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.2 OUTLIER 63.14 147.27 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 179.134 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -77.82 -59.67 2.68 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.539 1.136 . . . . 0.0 113.037 -172.952 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.71 124.84 26.78 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.602 0.761 . . . . 0.0 109.754 -174.478 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 58.26 78.72 0.23 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.695 0.798 . . . . 0.0 110.233 -170.501 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -49.48 -42.48 43.41 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 118.801 2.889 . . . . 0.0 118.801 -158.646 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -71.07 0.16 Allowed 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -164.02 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.505 . . 70.88 -67.89 0.23 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 169.238 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -143.77 72.85 1.37 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 122.372 2.351 . . . . 0.0 113.467 -173.21 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.41 111.58 6.49 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 172.176 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 49.5 -178.22 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 168.516 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 . . . . . 0 N--CA 1.484 1.25 2 O-C-N 112.09 -6.631 . . . . 0.0 110.384 -29.53 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.28 0.562 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 2' ' ' LEU . 4.6 mm? -62.61 -40.05 95.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.723 . . . . 0.0 110.007 179.45 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt 52.86 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.646 -0.659 . . . . 0.0 111.443 179.683 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 45.0 45.73 8.91 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 121.79 0.805 . . . . 0.0 111.788 178.618 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 10' ' ' SER . 1.2 tt -156.01 40.71 0.38 Allowed 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 121.852 0.834 . . . . 0.0 110.003 -178.186 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 9' ' ' ALA . 1.7 t0 167.63 -55.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -178.972 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.06 -40.52 96.45 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.415 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.51 18.33 18.15 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 173.842 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' ASP 0.257 . . 46.71 30.15 1.1 Allowed 'General case' 0 N--CA 1.513 2.708 0 CA-C-O 122.125 0.964 . . . . 0.0 109.052 -178.164 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.511 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.4 t 56.56 92.08 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.096 -177.722 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.594 ' H ' HD12 ' A' ' 11' ' ' LEU . 2.0 mp -60.06 -32.89 71.35 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.489 -0.757 . . . . 0.0 110.56 -179.493 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m0 -139.82 147.49 40.81 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.475 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.656 -1.277 . . . . 0.0 110.412 179.989 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.9 129.0 35.36 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 172.716 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.56 96.92 10.82 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.849 0.46 . . . . 0.0 110.466 -164.537 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -136.17 178.78 6.79 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 122.428 1.109 . . . . 0.0 111.408 -167.232 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.36 34.5 mt 98.2 82.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.351 1.46 . . . . 0.0 113.803 156.882 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -151.88 150.07 29.67 Favored 'General case' 0 CA--C 1.567 1.625 1 O-C-N 116.24 -4.037 . . . . 0.0 108.568 -60.501 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -72.95 -35.01 66.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -179.508 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -60.07 135.41 57.7 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -161.271 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 146.01 30.57 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.935 175.593 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -70.11 153.43 43.17 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.933 0.493 . . . . 0.0 112.215 170.011 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.303 2.5 mm? 79.69 152.18 0.12 Allowed 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 124.421 1.088 . . . . 0.0 111.758 -174.248 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -105.22 0.21 Allowed 'General case' 0 N--CA 1.488 1.444 1 O-C-N 114.578 -5.076 . . . . 0.0 110.796 17.086 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 20.8 m120 . . . . . 0 N--CA 1.493 1.684 0 C-N-CA 124.603 1.161 . . . . 0.0 111.383 -160.228 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -94.64 116.12 28.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.799 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.86 117.78 21.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.125 0.57 . . . . 0.0 109.645 -176.909 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -79.08 -72.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -166.364 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.258 13.1 mt -86.67 -176.93 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.576 1.179 . . . . 0.0 114.096 -165.98 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.12 128.52 36.35 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -125.291 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -142.69 83.76 1.82 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 159.618 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.13 109.49 1.99 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.026 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . 74.34 152.4 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.854 1.428 . . . . 0.0 114.854 -178.747 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.324 66.9 p 63.68 84.81 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.829 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.1 102.49 11.82 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 170.009 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -140.18 127.47 21.21 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -168.835 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 123.261 0.624 . . . . 0.0 111.386 173.585 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.5 tp -94.71 119.8 33.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.309 0.644 . . . . 0.0 110.17 -179.649 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.42 130.38 19.4 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.38 0.672 . . . . 0.0 109.697 174.798 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -155.04 102.0 2.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.38 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.377 17.9 tp 75.39 97.05 0.07 Allowed 'General case' 0 N--CA 1.493 1.676 2 O-C-N 114.528 -5.108 . . . . 0.0 114.709 -6.98 . . . . . . . . 3 2 . 1 . 059 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.84 -78.62 0.05 OUTLIER 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 123.955 0.902 . . . . 0.0 113.299 -175.013 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.342 37.7 mttp 71.96 -69.9 0.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.679 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.269 54.0 p-90 -18.11 102.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 -156.73 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -62.56 1.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.815 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.301 26.7 t 156.14 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.412 1.485 . . . . 0.0 107.313 147.113 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.77 130.51 54.96 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 168.488 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.326 47.4 t-105 -126.15 -126.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.618 177.082 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 59.9 m-80 . . . . . 0 N--CA 1.494 1.742 0 C-N-CA 124.25 1.02 . . . . 0.0 109.984 -153.671 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.303 47.6 tp -132.02 -72.89 0.52 Allowed 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.952 167.309 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.28 -160.59 0.79 Allowed 'General case' 0 CA--C 1.579 2.078 2 O-C-N 114.46 -5.15 . . . . 0.0 108.743 -10.522 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.75 -18.51 21.83 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.508 -1.995 . . . . 0.0 116.185 150.557 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.42 -87.22 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.135 1.374 . . . . 0.0 111.41 -176.197 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.365 37.3 m-20 58.0 -103.65 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.908 1.283 . . . . 0.0 111.317 -171.461 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -162.98 -58.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 155.408 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -74.67 103.18 4.86 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -134.453 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.06 29.55 7.54 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 162.886 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.369 8.2 t 71.29 -80.55 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.283 1.433 . . . . 0.0 114.401 -176.097 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.352 2.3 tm? 77.3 -65.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.959 1.304 . . . . 0.0 112.522 -171.203 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -62.1 153.85 28.77 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 171.652 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 123.355 0.662 . . . . 0.0 109.712 177.866 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 48.1 mt 78.97 -73.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.758 1.223 . . . . 0.0 113.684 177.912 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 2.7 mm? 75.08 143.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.891 1.276 . . . . 0.0 112.922 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.87 -36.3 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 177.753 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -75.86 115.09 15.2 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 119.794 1.179 . . . . 0.0 112.228 -171.28 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.59 -66.49 1.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.944 0.898 . . . . 0.0 108.8 172.684 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 46.5 tptt 82.87 -59.67 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 166.764 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.294 67.1 t90 65.69 80.87 0.22 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 123.842 0.857 . . . . 0.0 109.255 -154.359 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.83 -38.19 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -162.464 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -61.32 142.36 56.93 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -165.685 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.14 136.45 37.12 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -152.806 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -28.32 150.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 168.973 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.489 1.524 0 C-N-CA 123.308 0.643 . . . . 0.0 110.648 167.828 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.87 -37.92 87.45 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 170.859 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.67 -39.34 84.13 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.886 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.05 -40.37 95.54 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 166.462 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.84 -39.27 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 116.004 1.854 . . . . 0.0 116.004 171.481 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -58.19 -35.08 71.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 171.284 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.91 -38.63 91.73 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 170.489 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -61.68 -36.54 81.16 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 168.411 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.72 69.45 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 168.119 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 t -61.16 -39.11 88.87 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 169.157 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.86 -39.66 71.8 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 170.903 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -52.66 -39.55 61.96 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 171.081 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 p30 . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 124.273 1.029 . . . . 0.0 112.472 178.437 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.42 119.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.525 1.13 . . . . 0.0 113.108 -173.099 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 152.38 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.965 1.706 . . . . 0.0 115.258 163.651 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.263 7.9 pt-20 63.4 -69.2 0.08 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 115.811 -2.042 . . . . 0.0 114.671 -177.093 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.595 5.2 tp 48.52 -113.2 0.54 Allowed 'General case' 0 C--N 1.387 2.219 0 CA-C-N 123.856 3.026 . . . . 0.0 115.796 -162.495 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.289 13.6 t70 -72.57 -17.93 61.66 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 -178.674 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.3 1.4 pttt 25.82 70.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 1 N-CA-C 122.212 4.153 . . . . 0.0 122.212 155.339 . . . . . . . . 3 2 . 1 . 063 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.374 0.0 OUTLIER 50.94 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.965 2 CA-C-N 103.141 -6.391 . . . . 0.0 116.562 156.742 . . . . . . . . 4 3 . 1 . 063 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.417 . . -150.19 88.66 1.53 Allowed 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.788 -1.195 . . . . 0.0 112.751 -158.191 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.331 8.0 t 49.29 84.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.648 1.579 . . . . 0.0 113.194 169.004 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' H ' HD13 ' A' ' 11' ' ' LEU 0.626 0.0 OUTLIER 2.13 -118.33 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -139.49 . . . . . . . . 4 4 . 1 . 063 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.31 125.56 0.09 Allowed 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 -137.519 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -178.488 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 14.6 tp 69.4 -91.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.286 1.434 . . . . 0.0 111.741 179.387 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.209 0 CA-C-O 116.19 -1.862 . . . . 0.0 114.234 179.242 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -118.59 -56.92 2.1 Favored 'General case' 1 N--CA 1.558 4.955 0 CA-C-N 123.102 2.683 . . . . 0.0 108.765 -178.606 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.297 56.6 tp 65.38 162.78 0.15 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 124.43 3.286 . . . . 0.0 113.351 -168.117 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.304 10.2 m-20 -48.96 -72.04 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.38 3.467 . . . . 0.0 118.73 -178.752 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.372 39.8 mtmt 87.21 90.72 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.587 1 CA-C-N 105.583 -5.28 . . . . 0.0 109.867 167.969 . . . . . . . . 3 2 . 1 . 064 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.401 0.0 OUTLIER 59.72 92.99 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 111.609 -2.541 . . . . 0.0 110.859 -161.939 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.58 . . -94.87 0.88 55.18 Favored 'General case' 0 N--CA 1.504 2.264 1 N-CA-C 121.928 4.048 . . . . 0.0 121.928 -153.219 . . . . . . . . 3 2 . 1 . 064 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.71 94.69 0.42 Allowed 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -157.219 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.603 0.0 OUTLIER 54.94 177.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 109.947 -3.297 . . . . 0.0 117.177 171.88 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.258 0.1 OUTLIER -27.25 -28.75 0.0 OUTLIER 'General case' 0 CA--C 1.595 2.684 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 155.532 . . . . . . . . 4 3 . 1 . 064 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.375 1.694 0 CA-C-N 123.413 2.824 . . . . 0.0 108.176 -164.298 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.269 20.3 tp 73.49 146.75 0.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.807 1.243 . . . . 0.0 113.755 176.785 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 111.95 4.58 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.039 0.935 . . . . 0.0 111.178 175.431 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.378 46.6 mt-10 66.2 -100.68 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 179.79 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.27 12.6 tp 65.41 -175.54 0.18 Allowed 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 119.351 0.978 . . . . 0.0 112.026 -167.679 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -81.13 108.31 14.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.583 -1.323 . . . . 0.0 107.737 165.331 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -85.14 97.31 9.81 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.77 0.795 . . . . 0.0 109.827 -161.549 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.453 1.7 p90 44.7 68.65 0.52 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -154.434 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.314 . . 59.07 -140.89 0.69 Allowed 'General case' 0 CA--C 1.571 1.755 0 C-N-CA 123.898 0.879 . . . . 0.0 113.093 -167.908 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -82.87 -68.34 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.732 1.151 . . . . 0.0 112.241 -179.972 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 155.17 33.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.423 1.01 . . . . 0.0 112.287 -176.92 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -77.4 115.59 17.29 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.682 0.793 . . . . 0.0 109.162 168.133 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.181 176.616 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 tt 62.45 98.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 125.347 1.459 . . . . 0.0 113.835 173.224 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.411 3.3 mm? 77.94 115.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 2 O-C-N 114.448 -5.158 . . . . 0.0 114.245 -3.252 . . . . . . . . 3 2 . 1 . 066 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 63.91 77.15 0.33 Allowed 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 175.859 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.311 14.8 tp 66.26 94.65 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 1 O-C-N 114.282 -5.261 . . . . 0.0 119.111 -37.116 . . . . . . . . 3 2 . 1 . 066 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -138.34 91.45 2.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 163.314 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 tptt 55.68 79.68 0.16 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.364 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 72.3 0.84 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.828 0.823 . . . . 0.0 109.653 176.517 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.16 -67.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.145 0.978 . . . . 0.0 109.132 -177.583 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.3 m -75.25 -53.51 8.66 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.601 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.07 115.26 27.88 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.899 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.423 12.0 p90 58.36 100.18 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -179.645 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.488 1.453 1 O-C-N 115.593 -4.442 . . . . 0.0 109.451 -1.623 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.346 7.0 mp 70.55 85.77 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 2 O-C-N 115.042 -4.786 . . . . 0.0 112.561 0.312 . . . . . . . . 3 2 . 1 . 067 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 145.35 52.17 Favored 'General case' 0 N--CA 1.491 1.619 1 O-C-N 115.323 -4.611 . . . . 0.0 115.623 8.797 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.56 -52.62 0.35 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -175.304 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 tp -70.2 -71.48 0.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.5 1.046 . . . . 0.0 110.566 174.904 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -2.88 -43.92 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 1 N-CA-C 123.008 4.447 . . . . 0.0 123.008 137.295 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.51 -68.17 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.681 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -95.47 100.13 11.93 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.913 0.779 . . . . 0.0 111.23 -167.434 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 80.04 0.52 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 156.809 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -155.59 -72.57 0.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.436 -169.578 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.25 152.59 42.79 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.105 0.955 . . . . 0.0 110.706 -160.621 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.301 6.3 t-105 85.62 65.65 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 126.065 1.746 . . . . 0.0 110.845 -178.5 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.254 1.3 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -169.855 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -134.9 120.17 18.95 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.235 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.63 160.09 40.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.862 0.839 . . . . 0.0 111.845 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -110.26 -37.54 5.51 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.887 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.42 115.86 11.07 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.253 1.388 . . . . 0.0 110.989 -174.75 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.53 -74.72 0.24 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.427 0.691 . . . . 0.0 112.012 -171.107 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.47 -33.87 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -179.39 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -99.57 149.19 23.51 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.709 1.243 . . . . 0.0 114.219 -143.518 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.61 -172.68 4.25 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.821 153.047 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m 57.7 80.37 0.17 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.664 -1.273 . . . . 0.0 114.184 172.69 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.33 129.84 34.86 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.421 0.629 . . . . 0.0 111.714 -169.219 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.617 0.1 OUTLIER 99.46 -54.16 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.071 1.748 . . . . 0.0 114.472 179.501 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.49 1.57 0 CA-C-N 119.222 0.919 . . . . 0.0 110.243 174.283 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.77 -79.35 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.948 -175.84 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.285 3.8 pp -68.84 131.57 45.34 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 120.113 1.324 . . . . 0.0 112.727 -167.264 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.363 41.4 tt0 76.05 -60.08 0.5 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -164.989 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.296 2.9 tp -69.51 -77.61 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -140.09 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.75 -58.78 5.81 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.634 1.561 . . . . 0.0 114.842 -169.073 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.56 71.91 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.896 2.924 . . . . 0.0 118.896 -176.849 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.35 48.22 1.46 Allowed 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 119.917 1.235 . . . . 0.0 111.839 -166.022 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.2 37.11 1.6 Allowed 'General case' 0 CA--C 1.575 1.92 0 O-C-N 120.086 -1.634 . . . . 0.0 112.404 127.194 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -151.68 79.69 1.27 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 120.852 -1.155 . . . . 0.0 110.7 -179.87 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.482 0.0 OUTLIER 177.4 -83.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 154.717 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -84.45 108.63 17.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 121.265 1.848 . . . . 0.0 108.166 173.106 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 174.813 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 tp -88.69 -116.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.874 -1.06 . . . . 0.0 108.38 173.033 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.564 1.2 pp 37.5 -106.51 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -178.459 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -40.15 47.26 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 179.943 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.7 tp -43.48 -69.04 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -169.052 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.03 -62.23 1.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.635 0.774 . . . . 0.0 112.105 -171.657 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -36.06 -59.98 0.58 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 167.9 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.323 0.0 OUTLIER -98.83 58.98 1.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -179.183 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.75 31.96 6.05 Favored 'General case' 0 CA--C 1.574 1.882 0 CA-C-N 113.665 -1.607 . . . . 0.0 112.562 141.565 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -116.54 -96.2 0.47 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 116.827 -1.559 . . . . 0.0 111.724 -178.452 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.331 1.3 mm? -48.02 -46.29 32.83 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 119.857 3.28 . . . . 0.0 119.857 -136.218 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -116.55 117.66 30.48 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.694 1.588 . . . . 0.0 108.724 153.881 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.442 13.6 p30 . . . . . 0 N--CA 1.488 1.474 0 C-N-CA 125.613 1.565 . . . . 0.0 114.636 -172.01 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 118.799 -0.619 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.379 7.1 mp 76.81 -89.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.776 1.23 . . . . 0.0 110.546 -174.899 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.52 109.9 17.76 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 119.491 1.041 . . . . 0.0 108.809 -178.894 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.88 -84.05 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.95 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.347 17.5 tp 64.03 162.7 0.12 Allowed 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 122.594 1.188 . . . . 0.0 113.794 -171.678 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -47.5 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -101.864 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -115.2 78.16 1.14 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 160.636 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.642 0.0 OUTLIER 111.19 64.24 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 127.204 2.202 . . . . 0.0 113.427 -179.914 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.02 -158.95 0.78 Allowed 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 123.957 0.903 . . . . 0.0 110.223 168.052 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.471 0.2 OUTLIER 131.05 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 147.911 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.344 6.0 tp -40.17 -51.85 2.63 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 121.102 3.742 . . . . 0.0 121.102 -144.898 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -121.73 101.14 7.4 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 154.035 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.439 2.1 p-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -172.788 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.6 tp -133.95 109.55 9.09 Favored 'General case' 0 CA--C 1.562 1.405 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 171.966 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.79 112.49 24.22 Favored 'General case' 0 N--CA 1.483 1.207 1 O-C-N 115.732 -4.355 . . . . 0.0 111.667 8.225 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.269 0.1 OUTLIER -169.86 128.71 0.93 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.226 101.446 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.468 5.0 mp 55.12 -158.13 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 2 O-C-N 114.457 -5.152 . . . . 0.0 119.15 -31.127 . . . . . . . . 3 2 . 1 . 072 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.292 4.8 t70 24.62 -84.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 171.51 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.28 74.88 8.63 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.145 0.974 . . . . 0.0 111.039 166.729 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -94.12 58.04 2.47 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 156.128 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . -100.25 -154.95 0.49 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 120.767 -1.208 . . . . 0.0 111.982 -159.411 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.528 0.6 OUTLIER 14.4 150.22 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.905 1 N-CA-C 124.04 4.83 . . . . 0.0 124.04 -122.444 . . . . . . . . 4 3 . 1 . 072 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.823 0.4 OUTLIER 62.87 -85.21 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 110.819 -2.901 . . . . 0.0 117.769 -166.905 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -102.48 107.69 18.74 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 122.879 2.581 . . . . 0.0 110.782 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.489 1.511 0 C-N-CA 123.814 0.846 . . . . 0.0 109.238 172.272 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.357 6.3 mp 69.1 96.67 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 1 O-C-N 115.344 -4.598 . . . . 0.0 112.866 -1.974 . . . . . . . . 3 2 . 1 . 073 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 1.0 OUTLIER 55.1 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.131 1.372 . . . . 0.0 114.433 -173.804 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 160.32 -55.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 126.698 1.999 . . . . 0.0 107.631 -164.777 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -50.81 109.17 0.29 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -162.841 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -132.48 -102.56 0.26 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 102.969 -2.975 . . . . 0.0 102.969 156.248 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.261 1.5 mttt 71.72 151.41 0.11 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.399 1.999 . . . . 0.0 116.399 148.722 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.298 2.1 t-105 75.79 -32.13 0.21 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.354 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -3.86 2.44 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -175.979 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.297 0.1 OUTLIER -50.14 -73.24 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.647 1 N-CA-C 122.377 4.214 . . . . 0.0 122.377 -120.484 . . . . . . . . 4 3 . 1 . 073 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.362 1.5 tm? 48.71 139.62 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 O-C-N 116.864 -3.648 . . . . 0.0 115.5 92.206 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.388 0.2 OUTLIER 30.16 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 119.375 3.102 . . . . 0.0 119.375 -179.054 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -172.942 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.259 21.0 tp 71.73 139.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.651 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -135.12 159.95 39.89 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 0.0 109.898 172.082 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.309 66.5 mt-10 87.12 -59.68 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 176.656 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.308 2.9 mt 50.59 86.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.851 1.66 . . . . 0.0 114.051 -162.573 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.49 18.94 6.08 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.725 2.121 . . . . 0.0 116.725 -175.889 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 42.4 mtmt 47.68 52.23 12.92 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -161.83 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.568 0.0 OUTLIER 63.76 -81.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.475 1.51 . . . . 0.0 113.306 -158.113 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.58 28.62 1.79 Allowed 'General case' 0 CA--C 1.577 2.0 0 C-N-CA 125.286 1.434 . . . . 0.0 111.938 164.429 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.622 0.3 OUTLIER 50.55 -79.93 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -147.743 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -151.21 132.12 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 120.953 1.706 . . . . 0.0 110.727 -178.931 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -70.25 135.23 48.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.417 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.55 179.899 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 CA--C 1.559 1.318 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 1.2 tt 74.86 87.39 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 1 O-C-N 115.496 -4.503 . . . . 0.0 111.827 -1.365 . . . . . . . . 3 2 . 1 . 075 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.77 137.25 41.86 Favored 'General case' 0 N--CA 1.491 1.611 1 O-C-N 115.536 -4.478 . . . . 0.0 112.692 13.527 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -143.66 -75.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.088 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.58 113.38 12.94 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 158.014 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.59 -31.15 1.22 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.858 2.169 . . . . 0.0 116.858 175.199 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.389 7.2 mptt -83.34 -174.76 5.48 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.231 2.287 . . . . 0.0 110.483 162.808 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CH2' HD23 ' A' ' 11' ' ' LEU 0.383 0.0 OUTLIER -70.94 91.37 0.86 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 121.951 2.159 . . . . 0.0 115.057 -130.609 . . . . . . . . 4 4 . 1 . 075 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.68 60.04 1.59 Allowed 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 111.191 -2.731 . . . . 0.0 108.425 -167.365 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -116.46 -145.84 0.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 174.589 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 11' ' ' LEU 0.714 0.2 OUTLIER 99.49 -120.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 145.31 . . . . . . . . 4 4 . 1 . 075 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -77.55 95.1 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 121.826 2.103 . . . . 0.0 110.174 -164.62 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.255 1.365 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.711 -170.528 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.388 1.0 OUTLIER 81.39 96.97 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 1 O-C-N 115.514 -4.491 . . . . 0.0 110.746 -0.966 . . . . . . . . 4 3 . 1 . 076 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.17 129.38 38.34 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 116.15 -4.094 . . . . 0.0 114.785 14.073 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -160.27 -72.75 0.07 Allowed 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 177.415 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 150.46 25.55 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 123.838 1.78 . . . . 0.0 109.419 170.021 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 144.92 -64.36 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -111.454 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -73.64 -61.14 1.94 Allowed 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -172.394 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -72.75 -18.5 61.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 -162.211 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -26.58 13.26 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 162.244 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 t -86.35 155.3 20.67 Favored 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 123.572 1.653 . . . . 0.0 111.289 163.865 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.718 3.6 mm? 11.47 -92.7 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.783 1 N-CA-C 124.989 5.181 . . . . 0.0 124.989 -141.587 . . . . . . . . 3 2 . 1 . 076 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -70.3 119.67 14.83 Favored 'General case' 0 N--CA 1.507 2.391 0 CA-C-N 123.124 2.693 . . . . 0.0 110.697 -170.922 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -176.762 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -72.41 161.47 30.78 Favored 'General case' 0 CA--C 1.57 1.732 0 O-C-N 121.739 -0.601 . . . . 0.0 111.695 171.908 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.385 2.0 mm? 91.89 -78.37 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.062 1.345 . . . . 0.0 109.716 -173.841 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.06 -52.86 5.42 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.259 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.5 mt -82.55 161.42 22.31 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.046 1.294 . . . . 0.0 110.601 167.39 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.312 35.0 m-20 79.05 -74.23 0.06 Allowed 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.287 1.035 . . . . 0.0 112.674 172.159 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -62.81 -57.78 9.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.379 1.072 . . . . 0.0 113.502 171.451 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.4 t90 -94.46 55.32 1.95 Allowed 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.436 0.636 . . . . 0.0 111.646 178.861 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.57 -58.81 1.82 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.479 1.112 . . . . 0.0 110.452 175.539 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -73.67 141.66 46.45 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.714 1.245 . . . . 0.0 110.477 159.173 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.34 166.74 21.26 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.986 -138.308 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.265 15.3 t-105 14.67 102.44 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 4 O-C-N 111.103 -7.248 . . . . 0.0 122.96 2.34 . . . . . . . . 3 2 . 1 . 077 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.844 0.858 . . . . 0.0 110.391 174.174 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 118.721 -0.656 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 7.0 mp 73.34 -90.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.826 1.25 . . . . 0.0 111.085 -177.459 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.66 113.84 18.12 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.557 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -158.3 -59.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.79 -172.886 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.47 116.38 12.85 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -151.337 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -115.89 -121.38 0.3 Allowed 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 158.726 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.536 0.8 OUTLIER 117.43 145.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 O-C-N 119.896 -1.753 . . . . 0.0 112.833 114.153 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -36.3 109.94 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -109.366 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 41.52 1.79 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -167.589 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.283 41.8 t -98.11 -119.67 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.858 -1.151 . . . . 0.0 108.372 167.486 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.376 0.6 OUTLIER 67.36 -86.71 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 120.155 1.343 . . . . 0.0 114.549 -175.43 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.386 1.5 t-105 -39.1 -104.88 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 -128.368 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-N 121.052 1.751 . . . . 0.0 111.277 -166.007 . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.554 1.124 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -129.01 106.71 9.06 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.23 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.29 140.16 34.94 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.669 0.388 . . . . 0.0 110.644 -176.984 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -129.63 -63.9 0.91 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.31 178.875 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.272 60.5 tp 71.82 120.65 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-N 119.935 1.243 . . . . 0.0 111.333 -172.936 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -131.24 92.09 3.13 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 110.022 -169.114 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -109.22 -57.52 2.15 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.025 0.93 . . . . 0.0 111.092 166.586 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.596 0.0 OUTLIER 18.8 97.06 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 121.868 4.025 . . . . 0.0 121.868 -159.927 . . . . . . . . 4 3 . 1 . 079 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.441 . . 83.62 -163.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 124.284 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.413 8.3 t 65.55 -127.19 0.31 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.524 1.53 . . . . 0.0 112.342 -162.724 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.628 HD13 ' H ' ' A' ' 12' ' ' TRP 0.577 0.0 OUTLIER 68.38 -76.25 0.06 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.424 . . . . . . . . 4 4 . 1 . 079 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.628 ' H ' HD13 ' A' ' 11' ' ' LEU 0.733 0.0 OUTLIER 78.27 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 126.523 1.929 . . . . 0.0 113.828 175.188 . . . . . . . . 4 4 . 1 . 079 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.256 21.7 p-10 . . . . . 0 N--CA 1.5 2.053 0 CA-C-N 122.954 2.615 . . . . 0.0 111.878 179.07 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.34 140.12 37.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.584 -0.698 . . . . 0.0 110.231 -179.937 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.15 147.44 42.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.586 -0.696 . . . . 0.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -52.78 -32.52 44.14 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.882 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 tt -105.28 14.25 29.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.832 -1.167 . . . . 0.0 111.942 -179.238 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -54.38 -49.13 70.56 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-O 121.639 0.733 . . . . 0.0 111.853 -179.085 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -168.46 -109.85 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.189 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.46 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 56.1 p-90 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.981 -1.074 . . . . 0.0 108.962 177.159 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -41.71 -30.63 0.24 Allowed 'General case' 0 N--CA 1.507 2.378 0 CA-C-O 121.508 0.67 . . . . 0.0 111.582 -179.885 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -84.62 57.49 4.37 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.256 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -68.86 150.3 47.94 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.773 -0.579 . . . . 0.0 109.574 -179.051 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.2 m0 49.16 39.96 16.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.918 -1.114 . . . . 0.0 111.468 175.31 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.0 p30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.172 -179.841 . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.092 0.472 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.08 -39.85 87.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.436 -0.79 . . . . 0.0 109.985 179.9 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -100.58 141.5 33.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.594 -0.691 . . . . 0.0 109.514 179.307 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -52.66 -39.94 62.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 111.947 -178.581 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 8' ' ' TRP . 15.9 tp -131.87 161.68 32.42 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 120.837 -1.164 . . . . 0.0 108.961 179.265 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.65 -70.09 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.53 -0.731 . . . . 0.0 109.194 -179.24 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.275 28.7 tptt -51.37 -37.06 46.12 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.074 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.758 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -86.42 -34.12 20.25 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.762 -178.245 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -71.03 -59.64 2.67 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.55 -179.21 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -76.0 66.46 2.2 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.487 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -120.92 -29.39 4.62 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.395 0.617 . . . . 0.0 110.517 -179.622 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 11' ' ' LEU . 7.5 m95 -114.28 9.59 17.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.989 -0.444 . . . . 0.0 111.188 -177.36 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.089 -1.007 . . . . 0.0 110.348 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 tp 53.24 90.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.718 1.207 . . . . 0.0 113.629 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 2.6 pt? 25.92 56.74 0.05 Allowed 'General case' 0 N--CA 1.509 2.515 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -166.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.354 46.8 mt-10 104.7 -61.7 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.982 0 C-N-CA 126.742 2.017 . . . . 0.0 107.932 171.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp 41.03 86.04 0.02 OUTLIER 'General case' 0 C--N 1.378 1.826 0 O-C-N 117.955 -2.966 . . . . 0.0 118.044 -102.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -24.42 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 126.986 3.279 . . . . 0.0 118.737 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 85.16 65.28 0.01 OUTLIER 'General case' 1 N--CA 1.594 6.738 1 CA-C-N 104.448 -5.796 . . . . 0.0 106.446 146.362 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 56.35 76.81 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 124.088 0.955 . . . . 0.0 113.275 -164.185 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.334 . . 31.79 79.03 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 126.641 1.976 . . . . 0.0 116.282 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.339 43.6 t 51.49 -112.12 0.62 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.459 1.104 . . . . 0.0 111.85 -158.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.71 146.52 14.82 Favored 'General case' 0 CA--C 1.559 1.294 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 161.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -63.19 137.75 58.32 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.505 -1.372 . . . . 0.0 112.458 162.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.37 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.555 1.146 0 CA-C-O 121.326 0.584 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.33 -40.95 94.33 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.18 -62.02 1.79 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 119.537 1.062 . . . . 0.0 113.822 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.98 -54.07 2.99 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.19 -63.25 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -167.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.56 -32.29 73.23 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -73.36 -66.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.534 1.061 . . . . 0.0 111.942 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -29.85 69.01 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 -174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 -52.7 57.3 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 -173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.4 t -78.61 -93.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 117.441 -1.266 . . . . 0.0 110.111 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.308 1.2 mp 47.05 -146.78 0.2 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 155.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -41.68 133.87 2.6 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.172 -1.58 . . . . 0.0 115.17 130.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.105 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.154 0.502 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.6 mt -87.45 149.95 24.09 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 0.0 110.032 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.1 144.89 29.46 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.396 -0.815 . . . . 0.0 110.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -55.4 -39.91 70.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.554 -0.717 . . . . 0.0 112.439 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 23.1 mt -95.7 136.67 35.8 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.645 -1.284 . . . . 0.0 109.656 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.65 -76.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.271 28.4 tptt -58.01 -37.25 73.94 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -83.2 -34.36 25.93 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.005 -177.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . . . -70.43 -58.43 3.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.453 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 64.98 3.47 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -121.6 -32.43 3.81 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.451 0.643 . . . . 0.0 110.281 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 11' ' ' LEU . 6.8 m95 -112.86 4.08 16.71 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.345 -177.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.154 179.665 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 121.351 0.596 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp -75.28 105.38 6.27 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.384 0.9 OUTLIER 54.89 168.98 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -163.201 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -75.85 -18.2 59.53 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.463 1.3 mt 66.13 173.38 0.23 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 116.715 -3.741 . . . . 0.0 118.472 -90.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -128.9 50.5 2.12 Favored 'General case' 0 N--CA 1.513 2.724 1 CA-C-O 130.092 4.758 . . . . 0.0 119.306 151.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.305 81.2 mttt -72.86 -133.44 0.01 OUTLIER 'General case' 0 C--N 1.273 -2.73 1 CA-C-N 103.0 -6.454 . . . . 0.0 107.458 128.753 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -114.3 -14.71 12.22 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.409 -3.087 . . . . 0.0 117.504 143.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.358 . . 156.55 150.66 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.113 1 N-CA-C 98.617 -4.586 . . . . 0.0 98.617 -177.35 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -77.32 113.26 14.9 Favored 'General case' 0 C--N 1.303 -1.45 1 CA-C-N 106.921 -4.672 . . . . 0.0 110.832 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.22 138.24 21.0 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 110.683 -2.962 . . . . 0.0 116.194 -164.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -91.44 112.64 24.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.501 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.004 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.561 1.378 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.396 4.9 tt 74.54 87.44 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 1 O-C-N 115.123 -4.736 . . . . 0.0 114.557 -2.332 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.32 21.2 mt 65.4 33.17 9.12 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 115.02 -4.8 . . . . 0.0 120.324 -29.468 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -159.6 -62.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.506 -1.372 . . . . 0.0 112.534 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.67 -68.11 0.6 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.323 3.3 m-20 44.08 -76.78 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 O-C-N 118.422 -2.673 . . . . 0.0 116.702 100.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -84.18 -56.88 3.42 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.03 0.932 . . . . 0.0 112.655 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -116.59 108.59 16.14 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 119.119 0.872 . . . . 0.0 109.363 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.378 . . 66.61 -166.73 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 2 O-C-N 114.893 -4.879 . . . . 0.0 118.647 -26.514 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.35 13.4 t 75.67 -72.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.31 -30.4 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -167.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -95.45 127.31 41.39 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.845 1.202 . . . . 0.0 110.373 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.49 1.541 1 O-C-N 115.976 -4.202 . . . . 0.0 112.98 2.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.44 -116.29 0.14 Allowed 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.437 1.471 . . . . 0.0 110.568 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -62.82 142.75 58.09 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 173.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.66 -49.38 59.56 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.6 132.94 54.07 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 121.089 -1.007 . . . . 0.0 112.343 161.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.537 0.8 OUTLIER 51.08 86.94 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.058 0 CA-C-O 124.033 1.873 . . . . 0.0 115.881 -156.18 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -80.14 -64.19 1.24 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.627 -1.296 . . . . 0.0 111.864 174.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.42 2.9 m95 -77.81 4.18 12.44 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 119.524 3.157 . . . . 0.0 119.524 -172.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 43.6 3.03 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 161.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -123.3 -51.07 1.87 Allowed 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.373 -1.454 . . . . 0.0 113.847 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.52 169.91 15.46 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 120.976 -1.077 . . . . 0.0 113.488 155.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.26 139.28 2.69 Favored 'General case' 0 CA--C 1.589 2.454 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.765 1 O-C-N 114.481 -5.137 . . . . 0.0 112.869 -10.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 121.685 0.755 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.45 -128.21 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 1 O-C-N 113.255 -5.903 . . . . 0.0 110.012 -11.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.405 0.2 OUTLIER 70.05 -103.01 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.163 -1.585 . . . . 0.0 108.924 -161.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.76 2.6 mt-10 -30.33 107.73 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.184 1 N-CA-C 123.591 4.663 . . . . 0.0 123.591 -136.416 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.291 3.0 pp 22.1 111.35 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 121.044 3.72 . . . . 0.0 121.044 -131.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 1.062 0.0 OUTLIER -86.97 88.11 7.62 Favored 'General case' 0 N--CA 1.522 3.153 1 CA-C-O 128.662 4.077 . . . . 0.0 112.403 166.466 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.277 7.1 mmpt? -50.89 172.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.347 1 CA-C-N 107.854 -4.248 . . . . 0.0 118.692 141.714 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 2.2 m95 68.76 -75.67 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.141 -2.3 . . . . 0.0 115.206 163.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.258 . . -95.15 -146.54 0.27 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.673 159.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.0 p -174.04 34.91 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -149.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.347 0.0 OUTLIER -59.17 136.7 58.04 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -165.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -76.02 139.84 41.67 Favored 'General case' 0 CA--C 1.569 1.705 0 C-N-CA 123.653 0.781 . . . . 0.0 112.507 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--O 1.257 1.462 0 C-N-CA 123.79 0.836 . . . . 0.0 109.454 171.571 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.0 mp -68.83 -40.49 79.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.22 -0.925 . . . . 0.0 110.559 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.3 mt -132.68 127.25 34.41 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.543 -0.723 . . . . 0.0 110.239 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.67 -39.99 90.46 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 119.856 -0.737 . . . . 0.0 112.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 6' ' ' ASP . 4.3 pp -62.31 -33.24 74.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.807 -1.183 . . . . 0.0 111.857 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.803 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 2.2 t0 -74.79 -3.11 29.78 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 15.29 -67.88 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 6' ' ' ASP . 17.9 p-90 -75.51 -10.08 59.14 Favored 'General case' 0 C--N 1.263 -3.17 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.319 -177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.803 ' HB2' ' OD1' ' A' ' 6' ' ' ASP . . . -47.42 -28.85 2.29 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 121.4 0.619 . . . . 0.0 111.201 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -79.44 65.09 4.51 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.175 0.988 . . . . 0.0 108.692 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 6.6 mt -151.3 159.67 44.2 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.909 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 1.3 p90 23.39 49.48 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.104 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.31 0.576 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.0 -39.94 87.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.479 -0.763 . . . . 0.0 110.705 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.08 151.89 31.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.513 -0.742 . . . . 0.0 111.007 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -47.68 -35.91 10.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.569 -0.707 . . . . 0.0 112.279 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -129.67 152.89 48.69 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.213 -0.929 . . . . 0.0 109.662 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -171.68 -64.68 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.347 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.86 -104.07 0.06 Allowed 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -179.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.424 ' NE1' ' HD2' ' A' ' 7' ' ' LYS . 50.6 p-90 -66.76 -22.27 66.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.297 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -48.15 -25.34 1.44 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.809 -0.557 . . . . 0.0 111.868 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -86.32 60.76 6.42 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.627 0.727 . . . . 0.0 109.269 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 12.6 mt -138.1 159.43 42.04 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' CE3' ' N ' ' A' ' 12' ' ' TRP . 1.0 OUTLIER 64.87 27.28 12.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.108 -0.995 . . . . 0.0 109.837 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.343 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.25 150.26 51.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.201 -0.937 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -138.19 134.25 34.28 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.634 -0.666 . . . . 0.0 109.584 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 62.64 133.45 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.919 0.866 . . . . 0.0 109.652 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 70.8 mt -50.14 144.05 7.52 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.722 -0.611 . . . . 0.0 110.381 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.83 -76.86 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.279 22.0 tptt -55.15 -36.65 66.04 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -84.54 -35.24 23.0 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.781 -177.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . . . -68.32 -49.1 62.71 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 118.974 -1.09 . . . . 0.0 111.969 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -73.26 65.31 0.83 Allowed 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.758 0.79 . . . . 0.0 108.961 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TRP . 6.4 mt -140.64 162.35 35.6 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.528 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.1 m95 63.3 39.21 9.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.319 -0.863 . . . . 0.0 109.725 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.032 0.444 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -125.56 129.99 50.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.552 -0.717 . . . . 0.0 109.654 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -94.56 149.85 20.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.703 . . . . 0.0 110.194 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -49.31 -36.03 19.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.363 -0.835 . . . . 0.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 5' ' ' LEU . 9.6 tt -137.87 143.85 41.1 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.183 -0.948 . . . . 0.0 109.412 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.726 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 8.0 t0 -169.0 77.79 0.11 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 122.983 1.373 . . . . 0.0 109.068 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.269 1.1 mtmm -63.0 -41.59 99.62 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-O 122.639 1.209 . . . . 0.0 110.665 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' HB3' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -94.14 12.55 26.14 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.892 -177.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.726 ' HB2' ' CG ' ' A' ' 6' ' ' ASP . . . -53.24 -37.64 62.25 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -95.87 38.71 1.16 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -126.14 -28.98 3.08 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.57 -0.706 . . . . 0.0 110.878 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.67 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 7.4 m95 -113.98 6.1 16.38 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.509 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.03 -1.044 . . . . 0.0 110.121 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.566 1.587 0 CA-C-O 122.353 1.073 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.08 125.76 30.2 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.964 -1.085 . . . . 0.0 111.11 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.274 1.7 mm? 74.2 142.59 0.07 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 123.87 0.868 . . . . 0.0 112.616 -167.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.388 38.1 tt0 72.77 -67.68 0.26 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -172.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.1 tp -75.08 91.71 2.58 Favored 'General case' 0 CA--C 1.569 1.693 0 CA-C-O 122.904 1.335 . . . . 0.0 114.546 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.05 -98.57 0.39 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 156.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.294 26.5 mttt 63.78 -156.75 0.32 Allowed 'General case' 0 CA--C 1.575 1.939 0 O-C-N 120.186 -1.571 . . . . 0.0 114.038 177.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.626 0.0 OUTLIER 40.92 36.13 0.4 Allowed 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.704 4.335 . . . . 0.0 122.704 163.538 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.317 . . -93.47 -118.07 0.09 Allowed 'General case' 0 CA--C 1.587 2.387 0 CA-C-N 111.129 -2.76 . . . . 0.0 109.664 142.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 1.101 2.6 t 37.73 -36.58 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.524 1 N-CA-C 127.853 6.242 . . . . 0.0 127.853 -146.942 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -100.6 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 123.8 3.0 . . . . 0.0 112.428 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -90.27 100.65 13.44 Favored 'General case' 0 CA--C 1.573 1.843 0 O-C-N 120.663 -1.273 . . . . 0.0 111.38 -168.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.495 1.782 0 C-N-CA 124.005 0.922 . . . . 0.0 111.108 -179.072 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 2' ' ' LEU . 4.5 mm? -99.96 132.4 45.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -0.762 . . . . 0.0 110.469 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.11 149.99 47.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.623 -0.673 . . . . 0.0 110.029 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.65 -29.82 68.3 Favored 'General case' 0 N--CA 1.517 2.883 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.542 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.08 -31.35 68.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.913 -1.117 . . . . 0.0 111.599 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 52.9 m-20 -58.58 -64.12 1.04 Allowed 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 15.3 pttt 22.17 89.74 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 123.311 0.644 . . . . 0.0 111.575 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.652 ' CG ' ' O ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 60.24 -31.92 0.06 Allowed 'General case' 0 C--N 1.264 -3.148 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 6' ' ' ASP . . . -58.46 -17.93 24.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.63 53.86 2.96 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.89 150.18 48.06 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.806 -0.559 . . . . 0.0 110.571 -178.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 12' ' ' TRP . 14.1 m0 47.88 40.01 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 111.864 174.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.159 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.575 1.924 0 CA-C-O 120.969 0.414 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.348 3.3 tt 74.12 79.05 0.12 Allowed 'General case' 0 N--CA 1.497 1.88 2 O-C-N 112.792 -6.193 . . . . 0.0 112.527 4.718 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.38 1.5 pt? -0.5 84.62 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.21 3 O-C-N 111.515 -6.99 . . . . 0.0 126.566 -2.798 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -127.72 -54.84 1.32 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.26 1.424 . . . . 0.0 109.386 159.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -24.24 -163.74 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 121.484 3.883 . . . . 0.0 121.484 123.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.436 22.5 t70 55.75 -123.32 1.91 Allowed 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 126.071 1.748 . . . . 0.0 114.596 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -20.87 -58.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 121.146 3.758 . . . . 0.0 121.146 160.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.76 7.6 m95 -98.26 67.8 1.87 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 126.29 2.947 . . . . 0.0 113.956 171.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.315 . . -96.13 -30.31 13.59 Favored 'General case' 0 CA--C 1.583 2.221 0 CA-C-N 109.156 -3.656 . . . . 0.0 116.565 137.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.276 10.3 t -102.03 -116.95 0.19 Allowed 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 121.654 2.025 . . . . 0.0 113.821 -168.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.702 0.0 OUTLIER -25.84 -69.35 0.04 OUTLIER 'General case' 0 CA--C 1.586 2.341 1 N-CA-C 123.314 4.561 . . . . 0.0 123.314 -125.475 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -79.95 107.9 13.1 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-N 124.623 3.374 . . . . 0.0 110.524 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.493 1.712 0 C-N-CA 123.598 0.759 . . . . 0.0 111.549 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.556 1.191 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.7 tp -81.35 -114.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.988 -171.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 67.82 117.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 120.404 1.456 . . . . 0.0 112.282 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 10.1 tp10 -137.33 -103.34 0.19 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -163.69 141.95 7.66 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 120.407 1.458 . . . . 0.0 110.335 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -94.94 -21.81 18.39 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -80.03 144.68 33.0 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 120.657 1.571 . . . . 0.0 114.219 -163.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -152.12 113.85 4.38 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 162.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.06 139.17 30.9 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.058 0.543 . . . . 0.0 112.067 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -124.25 -74.94 0.6 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 117.982 -1.008 . . . . 0.0 108.511 170.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.314 1.0 OUTLIER 65.19 -101.14 0.08 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.43 1.092 . . . . 0.0 109.341 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.452 0.0 OUTLIER 160.78 -90.19 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 151.371 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 N--CA 1.493 1.691 0 CA-C-N 121.369 1.895 . . . . 0.0 111.179 178.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.1 tp -91.54 100.89 13.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -157.69 129.78 7.1 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -143.28 -87.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 170.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tt -159.45 139.54 11.87 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.135 0.88 . . . . 0.0 109.211 -171.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.42 -26.48 4.99 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -65.41 -179.18 0.59 Allowed 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 118.316 2.71 . . . . 0.0 118.316 -154.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.75 -35.44 5.98 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -155.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -14.42 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 120.735 3.606 . . . . 0.0 120.735 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.11 -80.77 0.47 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.117 -168.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.423 0.0 OUTLIER 45.75 88.71 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 125.729 1.612 . . . . 0.0 115.04 -172.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.334 0.1 OUTLIER -36.49 -69.47 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 -89.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.264 5.5 p-10 . . . . . 0 N--CA 1.495 1.822 0 CA-C-N 121.737 2.062 . . . . 0.0 109.982 173.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.46 -65.69 0.59 Allowed 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.6 -74.4 0.05 OUTLIER 'General case' 0 CA--C 1.582 2.182 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.5 -51.62 48.86 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.941 1.701 . . . . 0.0 115.551 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 28.4 tp -64.82 -84.95 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.649 2.022 . . . . 0.0 114.582 173.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.35 -52.03 30.73 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -65.9 -60.97 2.33 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.423 55.6 t90 -57.36 -29.96 64.46 Favored 'General case' 0 CA--C 1.58 2.134 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 171.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.08 80.62 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 118.842 2.904 . . . . 0.0 118.842 172.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -73.78 -59.74 2.58 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 1.073 0.0 OUTLIER -39.94 -62.48 0.72 Allowed 'General case' 0 CA--C 1.595 2.706 1 N-CA-C 126.969 5.915 . . . . 0.0 126.969 -143.974 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.363 1.9 t-105 48.42 102.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 3 O-C-N 106.965 -9.835 . . . . 0.0 119.902 9.491 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 168.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.572 1.803 0 CA-C-O 121.896 0.855 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.3 tp -82.65 124.08 29.85 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 116.887 -1.53 . . . . 0.0 111.844 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.057 2.7 mm? -71.51 -48.58 48.01 Favored 'General case' 0 N--CA 1.506 2.328 1 N-CA-C 123.172 4.508 . . . . 0.0 123.172 -171.626 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.334 33.9 tt0 -97.07 -99.79 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 124.03 3.104 . . . . 0.0 111.292 158.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -165.61 147.03 7.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.365 -1.459 . . . . 0.0 111.888 -173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.92 113.89 15.18 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -82.63 39.58 0.62 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 -164.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.512 0.1 OUTLIER -44.7 92.57 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 120.549 3.537 . . . . 0.0 120.549 -127.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.299 . . -115.3 142.6 46.46 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-N 109.695 -3.412 . . . . 0.0 110.142 -175.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -137.43 93.46 2.81 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.645 1.212 . . . . 0.0 108.279 163.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.86 150.83 47.57 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 1.117 1.8 t-105 -93.32 -114.38 0.1 Allowed 'General case' 0 CA--C 1.577 1.991 0 CA-C-O 115.366 -2.254 . . . . 0.0 113.454 165.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.273 7.2 p-10 . . . . . 0 N--CA 1.506 2.343 1 CA-C-N 126.238 4.108 . . . . 0.0 114.507 -172.271 . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.553 1.091 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -89.65 -137.63 0.12 Allowed 'General case' 0 CA--C 1.575 1.915 0 C-N-CA 123.364 0.666 . . . . 0.0 109.325 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 67.82 113.87 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 125.101 1.361 . . . . 0.0 114.211 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.271 34.6 tt0 -149.79 -87.54 0.08 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 108.577 153.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 tp -133.89 133.33 41.37 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.851 1.205 . . . . 0.0 111.23 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.39 -36.75 8.74 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.34 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -63.5 162.22 13.09 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.862 1.665 . . . . 0.0 115.189 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -126.77 137.74 53.26 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.903 0.859 . . . . 0.0 109.391 150.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.68 123.29 41.54 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.155 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 t -130.98 -70.46 0.6 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 117.725 -1.131 . . . . 0.0 109.624 174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 1.0 OUTLIER 72.6 -86.33 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 119.687 1.131 . . . . 0.0 109.25 -174.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.534 0.0 OUTLIER 138.47 -108.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.88 2.072 . . . . 0.0 106.406 151.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.493 1.711 0 CA-C-N 121.467 1.939 . . . . 0.0 111.504 -173.652 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.0 tp -91.6 104.3 16.8 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.49 126.19 31.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.351 0.596 . . . . 0.0 110.421 173.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -125.04 -68.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.26 6.3 tt 73.39 122.83 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.949 1.3 . . . . 0.0 111.302 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.13 106.58 5.86 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.999 0.519 . . . . 0.0 110.002 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.79 60.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 121.951 0.881 . . . . 0.0 112.101 -176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -116.28 81.58 1.64 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 105.083 -2.191 . . . . 0.0 105.083 154.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.73 83.95 6.7 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -123.24 -106.49 0.35 Allowed 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.735 -162.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.535 0.0 OUTLIER 45.93 130.92 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -167.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.273 1.9 t-105 -128.75 -179.64 5.19 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.437 1.113 . . . . 0.0 113.383 -167.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -149.128 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.108 0.48 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.54 155.82 26.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.568 -0.708 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -104.16 150.23 24.54 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 0.0 110.143 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -52.22 -26.75 12.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.427 -0.795 . . . . 0.0 112.072 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 7.4 tt -131.76 151.91 51.32 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 121.217 -0.927 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 55.9 t0 95.61 -34.51 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 126.225 1.81 . . . . 0.0 109.705 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.79 65.9 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 9' ' ' ALA . 11.5 p-90 -90.09 -16.13 30.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.063 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . . . -51.44 -22.19 2.86 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.334 -0.854 . . . . 0.0 112.345 -179.026 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -84.63 52.87 2.5 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.599 -0.688 . . . . 0.0 109.832 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 6.1 mt -151.48 164.06 37.61 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.1 m95 64.05 30.76 13.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.94 . . . . 0.0 109.99 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.291 179.916 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 CA--C 1.568 1.667 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.426 2.2 tt 84.43 102.88 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.885 2 O-C-N 113.048 -6.032 . . . . 0.0 113.227 0.167 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.55 125.81 25.09 Favored 'General case' 0 CA--C 1.577 1.989 2 O-C-N 113.747 -5.596 . . . . 0.0 121.429 22.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -156.15 -79.88 0.08 Allowed 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 173.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.6 mt -61.27 108.94 1.0 Allowed 'General case' 0 CA--C 1.576 1.956 0 O-C-N 119.441 -2.037 . . . . 0.0 114.154 142.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -166.93 -41.17 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.002 1.382 . . . . 0.0 112.558 -169.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -125.33 -80.05 0.61 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 116.717 -1.611 . . . . 0.0 110.617 -148.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.064 0.0 OUTLIER -97.97 55.85 1.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 125.32 2.486 . . . . 0.0 115.147 170.623 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.74 59.83 4.39 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 110.448 -3.069 . . . . 0.0 115.257 162.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -143.25 -107.38 0.13 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-O 122.52 1.152 . . . . 0.0 108.31 165.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.703 ' H ' HD13 ' A' ' 11' ' ' LEU 1.133 0.0 OUTLIER 6.59 -103.99 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.374 1 N-CA-C 128.15 6.352 . . . . 0.0 128.15 -155.01 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -121.82 117.09 25.68 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 123.38 2.809 . . . . 0.0 112.167 -168.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.496 1.847 2 O-C-N 113.739 -5.601 . . . . 0.0 117.826 -12.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.079 0.466 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' A' ' 10' ' ' SER . 41.4 tp -124.75 133.7 53.07 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.632 -0.668 . . . . 0.0 110.317 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mt 50.58 38.28 18.39 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.464 -0.773 . . . . 0.0 111.255 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -140.01 122.12 15.76 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 122.239 1.019 . . . . 0.0 110.381 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER 46.84 28.23 0.81 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.442 1.115 . . . . 0.0 111.257 178.625 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -148.54 83.86 1.48 Allowed 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 122.731 1.253 . . . . 0.0 107.835 179.535 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' CE3' ' A' ' 8' ' ' TRP 0.339 11.2 mttm -68.4 -46.46 69.9 Favored 'General case' 0 C--N 1.265 -3.081 0 CA-C-O 123.348 1.547 . . . . 0.0 111.319 -179.296 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD2' ' N ' ' A' ' 8' ' ' TRP 0.282 6.2 m95 -100.08 62.05 1.11 Allowed 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 124.495 2.093 . . . . 0.0 105.519 -175.133 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 6' ' ' ASP 0.303 . . -151.87 -78.65 0.12 Allowed 'General case' 0 C--N 1.269 -2.891 0 CA-C-N 110.68 -2.964 . . . . 0.0 111.987 -173.606 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.406 ' HB3' HD12 ' A' ' 2' ' ' LEU . 1.3 p -86.19 61.23 6.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.51 -0.744 . . . . 0.0 110.852 -179.255 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 1.4 mt -137.37 -36.37 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.486 -0.758 . . . . 0.0 110.312 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 6.3 m95 -112.96 11.62 19.13 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.949 -0.469 . . . . 0.0 110.981 -177.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.141 179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.342 6.5 mp 77.64 -73.49 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.493 1.117 . . . . 0.0 112.136 -166.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.1 88.72 0.61 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -165.36 -42.71 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.606 1.162 . . . . 0.0 113.199 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.89 96.71 2.14 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.576 -1.328 . . . . 0.0 111.933 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -169.95 -58.81 0.02 OUTLIER 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.14 -153.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -95.6 -69.31 0.76 Allowed 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.309 5.2 t90 -73.86 69.68 1.4 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 125.46 2.552 . . . . 0.0 112.337 174.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.65 74.76 1.24 Allowed 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 178.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.908 0.5 OUTLIER -103.61 -133.15 0.31 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.874 -2.012 . . . . 0.0 112.796 179.258 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 46.5 -101.72 0.06 Allowed 'General case' 0 CA--C 1.597 2.763 0 CA-C-N 124.634 3.379 . . . . 0.0 117.625 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -84.64 109.56 18.09 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.494 1.118 . . . . 0.0 111.786 170.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 N--CA 1.49 1.556 0 C-N-CA 123.815 0.846 . . . . 0.0 110.979 -179.217 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.265 0.555 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp 50.05 69.99 0.55 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.49 -0.756 . . . . 0.0 111.362 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -125.07 -171.82 2.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.422 -0.799 . . . . 0.0 110.029 179.64 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.12 -39.94 57.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 111.825 -179.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 6' ' ' ASP . 14.2 tp -142.44 155.3 45.08 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.708 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 23.0 t0 -159.98 69.98 0.43 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.508 1.147 . . . . 0.0 109.489 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 11.45 -73.6 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 177.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 25.1 p-90 -75.21 -9.99 59.05 Favored 'General case' 0 C--N 1.27 -2.865 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.744 -176.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . . . -53.61 -26.9 23.93 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.268 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -81.82 64.87 6.71 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' CZ3' ' A' ' 12' ' ' TRP . 4.4 mt -146.18 167.68 22.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ3' HD22 ' A' ' 11' ' ' LEU . 1.2 m95 65.26 32.76 9.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.397 -0.814 . . . . 0.0 109.855 178.385 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.188 179.722 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.363 6.6 mp 76.35 -75.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.738 1.215 . . . . 0.0 112.681 -170.52 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' H ' HD13 ' A' ' 3' ' ' LEU 0.28 0.0 OUTLIER -70.43 91.13 0.75 Allowed 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 174.663 . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -173.24 -71.19 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -169.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 6' ' ' ASP 0.274 15.4 tp -89.6 -145.88 0.17 Allowed 'General case' 0 CA--C 1.572 1.807 0 C-N-CA 123.433 0.693 . . . . 0.0 111.503 -168.146 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' H ' ' HG ' ' A' ' 5' ' ' LEU 0.373 2.9 m-20 45.97 53.27 9.23 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-O 125.185 2.421 . . . . 0.0 116.779 -178.654 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -137.48 -98.09 0.2 Allowed 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 176.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.406 0.7 OUTLIER 37.25 77.47 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 157.334 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.19 75.54 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -168.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.766 0.3 OUTLIER -111.76 137.9 49.06 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 157.485 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 61.89 134.81 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.025 -2.352 . . . . 0.0 115.996 -135.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 62.01 105.85 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.643 2.09 . . . . 0.0 116.643 165.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 120.922 -1.111 . . . . 0.0 112.101 172.205 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.8 tp 45.62 89.8 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.856 1.662 . . . . 0.0 114.536 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt 56.16 144.71 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -166.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.2 mm-40 -6.21 -81.8 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.413 1 N-CA-C 123.562 4.653 . . . . 0.0 123.562 175.579 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.3 pt? -91.03 162.78 14.56 Favored 'General case' 0 CA--C 1.55 0.955 2 O-C-N 114.278 -5.264 . . . . 0.0 117.518 33.333 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.94 31.0 3.51 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.587 2.44 . . . . 0.0 117.587 158.31 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 mttt 30.12 74.79 0.04 OUTLIER 'General case' 1 CA--C 1.631 4.092 0 CA-C-O 127.562 3.553 . . . . 0.0 114.973 -141.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.386 0.0 OUTLIER 66.41 38.5 4.31 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 120.092 3.367 . . . . 0.0 120.092 156.572 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.552 ' CB ' ' CA ' ' A' ' 9' ' ' ALA 0.64 . . 46.64 -99.3 0.04 OUTLIER 'General case' 1 CA--C 1.639 4.384 1 CA-C-N 108.125 -4.125 . . . . 0.0 112.71 -147.972 . . . . . . . . 5 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.29 2.17 0.75 Allowed 'General case' 0 N--CA 1.512 2.625 0 O-C-N 118.16 -2.838 . . . . 0.0 116.567 -149.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.734 0.0 OUTLIER 48.21 136.13 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.217 3.414 . . . . 0.0 120.217 -137.144 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -114.48 136.41 53.04 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.581 1.152 . . . . 0.0 110.804 -156.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.524 -171.193 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 CA--C 1.563 1.475 0 CA-C-O 121.948 0.88 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -102.14 98.64 8.78 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.866 177.449 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 3' ' ' LEU 1.098 1.9 mm? -83.17 82.43 8.26 Favored 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 175.65 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -85.34 -65.93 0.96 Allowed 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 128.088 2.555 . . . . 0.0 111.685 172.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 62.1 156.51 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -113.89 -106.39 0.38 Allowed 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.38 36.0 mttt 78.07 85.89 0.07 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.736 1.614 . . . . 0.0 113.236 -179.518 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -132.23 80.51 1.91 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.719 1.723 . . . . 0.0 107.575 175.132 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.269 . . -76.81 -162.64 0.28 Allowed 'General case' 0 CA--C 1.573 1.839 0 CA-C-N 113.938 -1.483 . . . . 0.0 113.859 175.397 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -116.8 -82.23 0.63 Allowed 'General case' 0 CA--C 1.576 1.95 0 O-C-N 120.628 -1.295 . . . . 0.0 112.236 -171.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.998 0.0 OUTLIER -6.87 141.5 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.832 1 N-CA-C 129.16 6.726 . . . . 0.0 129.16 -142.407 . . . . . . . . 4 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.758 0.0 OUTLIER -118.95 -127.19 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 115.985 -1.959 . . . . 0.0 112.24 -170.302 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.251 4.1 p30 . . . . . 0 N--CA 1.505 2.276 0 CA-C-N 124.252 3.205 . . . . 0.0 114.959 -160.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 123.161 1.458 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mp -88.25 152.64 21.82 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 121.226 -0.921 . . . . 0.0 111.757 176.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.369 1.5 mm? 79.97 -69.41 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 118.008 -0.996 . . . . 0.0 113.535 -174.38 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.35 -69.34 0.43 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.973 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.52 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 -172.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -36.76 39.93 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.41 20.0 mttt -67.24 -73.99 0.12 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 113.675 -3.059 . . . . 0.0 115.718 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.981 4.1 m95 -87.99 56.61 3.94 Favored 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 125.774 3.897 . . . . 0.0 117.743 -178.62 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.309 . . -140.55 -12.41 1.02 Allowed 'General case' 0 CA--C 1.588 2.413 0 C-N-CA 131.22 3.808 . . . . 0.0 113.909 179.096 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.2 t -90.4 -108.63 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 0 O-C-N 120.052 -1.655 . . . . 0.0 108.97 158.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.901 1.1 mm? -13.77 -98.74 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.089 1 N-CA-C 126.347 5.684 . . . . 0.0 126.347 -142.435 . . . . . . . . 3 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -101.32 99.75 10.16 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 122.901 2.591 . . . . 0.0 109.853 172.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.461 6.8 p30 . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -166.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 tp -139.65 110.87 6.97 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.44 132.19 5.18 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.498 0.666 . . . . 0.0 109.354 173.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.283 39.0 mt-10 -105.11 -104.96 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 178.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.48 159.02 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.93 2 O-C-N 113.422 -5.799 . . . . 0.0 117.681 -42.651 . . . . . . . . 4 4 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.525 71.0 m-20 116.58 -168.07 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.236 2 O-C-N 112.506 -6.372 . . . . 0.0 109.004 4.223 . . . . . . . . 3 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.308 17.7 tttt 168.64 145.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 116.355 -3.966 . . . . 0.0 110.889 92.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.82 51.25 1.87 Allowed 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -168.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.67 87.81 7.45 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 151.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 t -75.27 -48.17 24.53 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.3 1.9 pt? -75.39 138.34 41.65 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -135.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.698 93.0 m95 49.87 -152.94 0.14 Allowed 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -166.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.245 0.93 . . . . 0.0 111.545 -145.749 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.208 1.004 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.64 105.12 15.2 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 116.36 -1.781 . . . . 0.0 108.151 164.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 1.179 0.1 OUTLIER -96.61 97.03 9.05 Favored 'General case' 0 CA--C 1.603 2.987 0 CA-C-O 125.749 2.69 . . . . 0.0 114.508 175.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.267 23.8 tp10 -119.18 -44.04 2.61 Favored 'General case' 0 CA--C 1.596 2.743 0 C-N-CA 131.125 3.77 . . . . 0.0 110.905 178.357 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' HD12 ' A' ' 5' ' ' LEU 1.216 5.8 mp 25.16 -94.24 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 122.063 4.097 . . . . 0.0 122.063 -139.314 . . . . . . . . 4 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -147.9 108.24 4.1 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 123.508 2.867 . . . . 0.0 108.084 155.219 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.65 -52.1 64.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 178.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.251 1.8 p-90 -75.94 54.44 0.83 Allowed 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.71 4.43 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 156.574 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.5 t -116.86 98.48 6.52 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 123.973 1.844 . . . . 0.0 111.687 -165.19 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.41 150.25 29.47 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.531 1.932 . . . . 0.0 106.421 -174.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.846 4.8 m95 -88.65 -96.31 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.456 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.571 1.785 1 O-C-N 114.422 -5.174 . . . . 0.0 118.892 -81.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -85.25 134.45 34.13 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.541 0.736 . . . . 0.0 109.207 167.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -113.2 -92.54 0.48 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 167.187 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.412 0.0 OUTLIER 67.5 157.71 0.13 Allowed 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 120.242 1.383 . . . . 0.0 111.917 -168.68 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.84 149.74 21.43 Favored 'General case' 0 N--CA 1.487 1.387 2 O-C-N 113.101 -5.999 . . . . 0.0 113.219 27.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -69.17 101.36 1.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.217 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -89.79 -57.37 2.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 114.783 -1.099 . . . . 0.0 112.495 179.157 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.282 3.2 t90 67.28 -31.62 0.18 Allowed 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -157.083 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.324 . . 76.56 65.28 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.883 2.073 . . . . 0.0 112.046 -167.018 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 t -123.65 70.96 1.07 Allowed 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.984 0.897 . . . . 0.0 110.708 -179.208 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -95.26 138.75 32.54 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 164.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.458 0.7 OUTLIER -85.82 -104.06 0.06 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.85 -1.548 . . . . 0.0 113.32 -173.204 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.495 1.784 0 CA-C-N 121.777 2.08 . . . . 0.0 112.188 -167.491 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.073 0.463 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.96 -27.76 64.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.689 . . . . 0.0 109.921 179.775 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.0 mt 55.48 90.32 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.822 0.82 . . . . 0.0 110.902 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.99 115.45 8.99 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.892 0.853 . . . . 0.0 108.765 178.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER 48.22 26.99 1.18 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.527 1.156 . . . . 0.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.267 1.5 t0 -120.84 33.51 5.55 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.901 -179.168 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -77.92 78.9 4.41 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 122.384 1.088 . . . . 0.0 110.189 -176.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 8' ' ' TRP 0.31 3.7 m95 52.27 41.38 30.35 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.706 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.308 . . -130.09 -76.94 0.54 Allowed 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 110.378 -3.101 . . . . 0.0 111.063 -172.143 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -54.63 -30.4 54.84 Favored 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.249 -179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.58 152.09 46.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.521 -0.737 . . . . 0.0 110.195 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.425 ' CE3' ' N ' ' A' ' 12' ' ' TRP . 1.2 m95 60.74 37.31 18.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.146 -0.971 . . . . 0.0 110.516 177.382 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.157 179.67 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.74 113.82 9.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.981 0.896 . . . . 0.0 111.67 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.268 0.0 OUTLIER -56.3 -87.09 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.668 0 O-C-N 120.345 -1.472 . . . . 0.0 113.347 103.199 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 6.8 tp10 -163.09 -84.33 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 116.309 -1.805 . . . . 0.0 108.224 178.043 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.8 tp -156.01 143.13 19.09 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-N 129.653 5.66 . . . . 0.0 108.728 -12.663 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 83.9 2.13 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.22 -156.514 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.14 67.0 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.273 1.035 . . . . 0.0 112.752 -170.845 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -83.82 106.68 15.7 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 136.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.03 -12.77 54.67 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.318 2.71 . . . . 0.0 118.318 -166.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.311 5.6 t 90.42 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.077 1.351 . . . . 0.0 113.177 164.428 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.68 113.33 7.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 167.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -156.97 117.44 3.58 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -172.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.447 172.6 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.362 1.4 tt 76.18 97.82 0.07 Allowed 'General case' 0 CA--C 1.579 2.092 2 O-C-N 113.9 -5.5 . . . . 0.0 114.605 0.746 . . . . . . . . 3 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 141.19 54.71 Favored 'General case' 0 CA--C 1.578 2.039 1 O-C-N 113.73 -5.606 . . . . 0.0 119.433 9.686 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -143.95 -42.29 0.27 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.75 96.41 1.62 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 119.199 -2.188 . . . . 0.0 111.437 173.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.98 170.92 15.98 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 111.647 -2.524 . . . . 0.0 108.758 -152.088 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.373 50.3 pttt -30.5 -9.34 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.723 1 N-CA-C 130.195 7.109 . . . . 0.0 130.195 171.686 . . . . . . . . 3 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 1.041 30.2 t90 -91.31 24.02 3.12 Favored 'General case' 0 N--CA 1.519 2.976 1 CA-C-N 128.757 5.253 . . . . 0.0 118.458 143.418 . . . . . . . . 3 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.84 -144.08 0.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 125.842 1.657 . . . . 0.0 114.282 130.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.367 6.3 t 13.6 72.7 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.458 0 N-CA-C 120.388 3.477 . . . . 0.0 120.388 -177.067 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 12' ' ' TRP 1.134 0.0 OUTLIER 147.23 -124.66 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 131.031 3.732 . . . . 0.0 107.834 -176.144 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.741 ' H ' HD22 ' A' ' 11' ' ' LEU . 16.5 t-105 -72.94 122.61 21.96 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 123.284 2.765 . . . . 0.0 112.676 179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 123.703 0.801 . . . . 0.0 110.623 175.09 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.088 0.47 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 tt -118.33 122.02 41.84 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -0.802 . . . . 0.0 109.693 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.09 143.7 42.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.595 -0.69 . . . . 0.0 110.452 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.33 -30.91 53.01 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.654 -0.654 . . . . 0.0 111.627 -179.168 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 7.6 tt -111.3 156.48 21.46 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.975 -1.078 . . . . 0.0 110.218 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 54.8 t0 93.38 -31.81 0.02 OUTLIER 'General case' 0 N--CA 1.519 2.979 0 C-N-CA 125.706 1.602 . . . . 0.0 110.991 178.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TRP . 7.7 pttt -52.2 -37.4 54.81 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.78 1.752 . . . . 0.0 108.603 176.519 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 7' ' ' LYS 0.298 6.2 m95 -154.91 42.42 0.46 Allowed 'General case' 0 C--N 1.263 -3.165 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 177.827 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . . . 49.24 27.14 1.74 Allowed 'General case' 0 N--CA 1.509 2.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.235 -176.172 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 51.83 24.58 2.57 Favored 'General case' 0 N--CA 1.517 2.904 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.869 -178.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 9' ' ' ALA . 53.6 mt -62.22 154.14 28.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.891 -1.131 . . . . 0.0 109.653 179.694 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CD2' ' N ' ' A' ' 12' ' ' TRP . 1.3 m95 63.29 40.08 8.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.873 -1.142 . . . . 0.0 110.363 177.656 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.292 179.567 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 tp 64.82 118.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.189 1.396 . . . . 0.0 113.407 -179.288 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.526 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -62.52 115.44 4.25 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.648 0.779 . . . . 0.0 113.088 -175.57 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.281 38.3 mt-10 74.48 -70.16 0.16 Allowed 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 123.689 0.796 . . . . 0.0 112.163 -172.525 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.27 21.4 tp 50.79 88.16 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 119.559 1.072 . . . . 0.0 112.012 -129.103 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.358 10.0 m-20 -28.32 148.56 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 118.814 2.894 . . . . 0.0 118.814 -172.475 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.264 28.3 ttmt 50.87 14.55 0.19 Allowed 'General case' 0 CA--C 1.574 1.879 0 O-C-N 128.673 3.733 . . . . 0.0 118.364 141.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.275 11.0 t90 48.16 25.99 0.95 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 -164.148 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.543 ' CB ' ' CA ' ' A' ' 9' ' ' ALA . . . 70.34 52.5 0.35 Allowed 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 126.413 1.885 . . . . 0.0 110.74 -174.084 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 31.1 t 54.97 -112.05 0.68 Allowed 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.393 1.077 . . . . 0.0 112.823 -174.318 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.27 129.09 55.27 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.209 1.004 . . . . 0.0 108.659 168.914 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.49 151.07 45.51 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -175.318 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--O 1.258 1.504 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.494 -177.489 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.44 -91.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.049 -173.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.41 110.94 18.58 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.837 1.199 . . . . 0.0 109.337 176.294 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -154.33 -48.11 0.09 Allowed 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.916 -171.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.45 97.74 3.15 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.507 1.049 . . . . 0.0 112.173 -166.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -115.39 42.15 2.31 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.154 155.749 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -119.77 -71.79 0.72 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.291 1.036 . . . . 0.0 109.745 -163.112 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -66.56 2.63 1.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.29 83.11 3.06 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.475 1.11 . . . . 0.0 113.094 173.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.377 4.8 p -155.4 -78.93 0.09 Allowed 'General case' 0 CA--C 1.559 1.319 0 O-C-N 121.322 -0.861 . . . . 0.0 110.816 113.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.91 152.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 119.374 0.988 . . . . 0.0 112.867 -146.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.328 1.3 t-105 83.16 -77.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 161.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.403 174.56 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.34 41.2 mt-10 . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 115.533 -2.175 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.7 1.8 mt 151.79 -68.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 3 CA-C-N 131.811 6.642 . . . . 0.0 109.456 -12.437 . . . . . . . . 3 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.759 1.5 mp 59.48 -157.28 0.33 Allowed 'General case' 0 N--CA 1.496 1.869 2 CA-C-N 131.11 6.323 . . . . 0.0 120.207 -0.0 . . . . . . . . 3 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.294 28.2 tt0 0.41 133.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.368 3.47 . . . . 0.0 120.368 -122.316 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -53.37 -55.1 27.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 117.394 -3.316 . . . . 0.0 114.576 -60.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -94.6 -53.61 3.82 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 119.672 1.124 . . . . 0.0 112.396 156.025 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -69.14 130.45 42.73 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -123.229 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.6 69.56 0.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 95.147 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.252 . . 96.74 125.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.16 1.384 . . . . 0.0 109.04 -152.248 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -80.73 96.44 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -171.162 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.61 125.62 33.28 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 164.247 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -81.88 126.84 32.36 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.746 0.818 . . . . 0.0 110.552 -176.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 123.296 0.638 . . . . 0.0 110.187 179.936 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.7 tp -52.74 -40.1 62.77 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 176.483 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.42 -57.49 10.47 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.269 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -98.28 -64.82 1.0 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.535 0.734 . . . . 0.0 111.071 -176.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.38 149.26 50.29 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.637 0.775 . . . . 0.0 111.557 169.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.317 9.4 m-20 83.34 -61.17 0.13 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 123.864 0.866 . . . . 0.0 111.968 -173.386 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -61.04 -40.72 94.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 176.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.54 8.61 17.79 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -173.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.21 -60.88 2.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -112.79 65.89 0.64 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 119.411 1.005 . . . . 0.0 111.99 -174.422 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 mp -126.03 -162.8 1.16 Allowed 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 124.055 0.942 . . . . 0.0 108.814 -175.565 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 34.86 138.41 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 120.313 3.449 . . . . 0.0 120.313 123.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.873 0.869 . . . . 0.0 111.418 173.66 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.6 tp -88.31 -110.59 0.07 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.648 -175.749 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 70.07 125.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 120.188 1.358 . . . . 0.0 112.74 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -148.15 -90.09 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -161.22 143.03 11.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.683 1.128 . . . . 0.0 110.327 -178.524 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -125.35 59.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.191 0.596 . . . . 0.0 110.655 169.868 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -154.55 117.41 4.41 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 -174.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -154.24 96.06 1.89 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.946 0.879 . . . . 0.0 110.429 -164.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.343 . . 67.59 164.32 0.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 120.506 3.521 . . . . 0.0 120.506 122.391 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.451 8.2 t 68.02 -105.52 0.08 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.934 1.693 . . . . 0.0 111.847 -164.353 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.297 1.3 tm? 66.92 -84.78 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 119.681 1.128 . . . . 0.0 109.734 -164.302 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.703 0.1 OUTLIER 124.06 -92.41 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.955 2.502 . . . . 0.0 107.405 162.376 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.252 15.4 p-10 . . . . . 0 N--CA 1.496 1.852 0 CA-C-N 122.476 2.398 . . . . 0.0 111.744 177.716 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.423 5.9 mp 72.31 100.31 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 1 O-C-N 115.51 -4.493 . . . . 0.0 111.559 4.867 . . . . . . . . 3 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.8 OUTLIER 29.09 44.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -167.53 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -155.12 -87.33 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 165.204 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 tp 43.67 70.64 0.3 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -172.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -150.03 -24.12 0.26 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -169.022 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' H ' ' HD3' ' A' ' 7' ' ' LYS 0.323 0.0 OUTLIER -38.04 -88.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 118.431 2.752 . . . . 0.0 118.431 -168.547 . . . . . . . . 4 4 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -102.19 38.44 1.67 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -166.888 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.25 163.55 26.41 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.791 0.805 . . . . 0.0 111.958 137.326 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.481 11.6 m 154.31 -46.7 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 125.776 1.63 . . . . 0.0 111.126 143.359 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.81 -68.12 0.21 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.912 1.233 . . . . 0.0 113.283 158.328 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -78.5 120.76 23.68 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.664 1.186 . . . . 0.0 108.512 164.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.976 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 CA--C 1.557 1.24 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.383 1.5 tt 78.56 94.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 O-C-N 115.602 -4.436 . . . . 0.0 110.215 1.108 . . . . . . . . 3 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -76.0 123.25 25.45 Favored 'General case' 0 CA--C 1.565 1.52 1 O-C-N 115.857 -4.277 . . . . 0.0 115.748 21.582 . . . . . . . . 4 4 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.34 -42.59 0.05 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 126.505 1.922 . . . . 0.0 109.892 175.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -68.33 163.27 23.42 Favored 'General case' 0 CA--C 1.568 1.639 0 C-N-CA 124.673 1.189 . . . . 0.0 112.245 162.305 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.324 6.5 t70 90.07 -71.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 125.348 1.459 . . . . 0.0 108.481 -166.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -33.91 -80.05 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 169.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.288 8.0 t90 -103.5 38.1 1.87 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.186 0.903 . . . . 0.0 112.753 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.3 -20.25 19.95 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 135.095 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -59.92 -49.66 76.81 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -176.312 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -64.88 0.77 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.015 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -102.47 114.52 28.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.573 0.624 . . . . 0.0 109.961 -166.832 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.832 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.8 tp -75.53 132.3 40.64 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.568 0.699 . . . . 0.0 109.98 170.519 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -53.33 134.69 39.72 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 -165.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.533 2.5 mp0 86.95 -74.81 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 125.801 1.64 . . . . 0.0 111.79 -179.179 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.17 163.81 13.13 Favored 'General case' 0 CA--C 1.569 1.674 2 O-C-N 114.187 -5.32 . . . . 0.0 110.704 -28.196 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.37 1.0 OUTLIER 96.61 -61.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 125.633 1.573 . . . . 0.0 111.596 169.622 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.757 0.0 OUTLIER 133.38 129.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.195 0.998 . . . . 0.0 112.395 118.695 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.613 0.0 OUTLIER 60.86 -84.54 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 126.234 1.813 . . . . 0.0 113.226 -158.814 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 111.72 0.72 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 168.598 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.9 m -61.7 135.16 57.51 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -161.757 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 134.05 48.57 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.069 0.548 . . . . 0.0 111.381 172.875 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.312 0.0 OUTLIER -108.93 122.23 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 -146.551 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.178 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.214 0.531 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 tp -89.33 -125.05 0.06 Allowed 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 160.636 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.307 2.7 mm? 51.45 -119.08 1.37 Allowed 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 120.293 1.406 . . . . 0.0 114.589 161.762 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -79.58 -21.99 44.31 Favored 'General case' 0 CA--C 1.57 1.735 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -178.066 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.396 0.4 OUTLIER -81.77 -17.67 46.84 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 122.509 2.413 . . . . 0.0 117.131 -178.566 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.488 0.0 OUTLIER -111.15 59.48 0.61 Allowed 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 123.578 2.899 . . . . 0.0 111.0 145.192 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.23 -54.63 5.1 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.651 149.022 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -95.43 56.77 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -169.698 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.46 -64.17 1.18 Allowed 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.244 120.116 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.07 133.12 41.66 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -137.656 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.343 2.3 mm? 71.96 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.821 1.648 . . . . 0.0 113.442 176.681 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.412 48.3 p90 55.0 79.52 0.15 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.289 1.436 . . . . 0.0 114.147 -171.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.378 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.347 6.6 mp 77.18 -80.39 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 124.808 1.243 . . . . 0.0 111.705 -178.449 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.0 99.0 8.2 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.725 0.81 . . . . 0.0 109.598 -177.028 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -163.0 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.083 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -99.13 123.09 43.16 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 118.925 0.784 . . . . 0.0 110.749 -171.622 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.8 -40.49 2.43 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.556 163.296 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -85.39 84.79 7.53 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.402 1.456 . . . . 0.0 111.618 -168.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -160.13 -35.57 0.05 Allowed 'General case' 0 CA--C 1.577 1.981 0 C-N-CA 126.011 1.724 . . . . 0.0 110.062 -173.656 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.75 -59.93 3.13 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 172.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.469 0.3 OUTLIER 52.98 20.21 1.6 Allowed 'General case' 0 CA--C 1.576 1.948 1 N-CA-C 122.86 4.393 . . . . 0.0 122.86 170.715 . . . . . . . . 4 3 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.73 -114.05 0.13 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 121.313 1.87 . . . . 0.0 107.931 167.526 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -87.66 102.01 14.21 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.809 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -174.966 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -81.92 129.51 34.79 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.308 0.643 . . . . 0.0 109.987 177.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.05 154.76 12.11 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -171.667 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -141.47 -72.37 0.34 Allowed 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 118.225 -0.893 . . . . 0.0 109.35 174.215 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.39 133.27 45.83 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.943 1.247 . . . . 0.0 111.051 -177.552 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.35 -92.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 170.177 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.31 87.1 mttt 68.02 75.14 0.28 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 152.125 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -42.81 15.35 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.409 130.562 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.32 -150.31 0.41 Allowed 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 125.665 1.586 . . . . 0.0 112.878 177.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.627 13.9 p 83.61 -36.64 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 173.11 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.266 1.5 tm? -92.23 -96.53 0.13 Allowed 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 122.233 2.288 . . . . 0.0 106.995 157.929 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -82.25 118.43 23.11 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 170.086 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 123.471 0.708 . . . . 0.0 110.592 -172.96 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 CA--C 1.556 1.192 0 CA-C-O 120.994 0.426 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.65 126.14 53.34 Favored 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 124.166 0.986 . . . . 0.0 108.35 178.879 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.437 2.1 mm? 67.84 -171.9 0.19 Allowed 'General case' 0 CA--C 1.575 1.918 1 O-C-N 115.097 -4.752 . . . . 0.0 114.627 -2.162 . . . . . . . . 3 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -72.2 -37.06 69.33 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -162.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.68 102.04 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.713 1.597 . . . . 0.0 115.065 -159.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 163.68 127.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -164.188 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.461 52.3 pttt 65.44 134.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -170.799 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.308 91.9 m95 62.58 42.31 8.66 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.113 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.29 100.64 0.73 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 169.327 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t 78.81 127.65 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.649 1.18 . . . . 0.0 112.477 -173.04 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.499 2.7 mm? 90.45 -37.99 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 175.316 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -82.55 104.65 12.98 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 122.359 2.345 . . . . 0.0 107.344 163.419 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.444 10.2 p30 . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 125.075 1.35 . . . . 0.0 114.435 -171.031 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.4 tp 54.14 85.7 0.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 124.623 1.169 . . . . 0.0 112.858 -173.057 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 3.93 76.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -149.803 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.273 41.5 mt-10 76.67 -54.91 0.58 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 124.981 1.312 . . . . 0.0 113.781 -175.535 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp 59.72 97.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 122.059 2.209 . . . . 0.0 113.213 -113.204 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.53 131.09 44.16 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -154.235 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 75.01 78.82 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.22 1.408 . . . . 0.0 111.465 170.887 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.558 0.0 OUTLIER 16.95 60.28 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 -160.765 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.586 ' CB ' ' CA ' ' A' ' 9' ' ' ALA 0.287 . . 74.45 80.7 0.11 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 128.104 2.561 . . . . 0.0 109.345 179.419 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.486 6.1 t 88.7 -90.76 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -179.53 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.87 174.2 6.49 Favored 'General case' 0 N--CA 1.498 1.966 2 O-C-N 114.18 -5.325 . . . . 0.0 118.278 50.15 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.64 142.42 58.43 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.652 -177.543 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.847 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.556 1.198 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.0 tp -145.04 117.7 8.64 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 178.069 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.301 2.0 mm? -106.26 -103.69 0.33 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.222 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.442 2.0 tt0 23.88 126.12 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 120.123 3.379 . . . . 0.0 120.123 -121.219 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -99.94 111.11 23.43 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.581 -1.191 . . . . 0.0 108.698 -162.573 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.91 -39.02 11.95 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -160.541 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -15.25 -75.11 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.81 1 N-CA-C 122.092 4.108 . . . . 0.0 122.092 171.504 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.508 0.0 OUTLIER 26.55 94.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -147.642 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.52 52.56 2.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -160.192 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -100.88 123.25 44.8 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.517 -0.739 . . . . 0.0 109.029 173.553 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 146.12 54.09 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 119.37 -0.348 . . . . 0.0 110.447 160.911 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.414 0.3 OUTLIER -88.03 -102.85 0.08 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.34 -172.252 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.494 1.751 0 CA-C-N 121.62 2.009 . . . . 0.0 111.98 -166.481 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.561 1.397 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.314 0.7 OUTLIER 64.54 77.27 0.32 Allowed 'General case' 0 CA--C 1.572 1.798 1 O-C-N 115.52 -4.487 . . . . 0.0 114.461 -4.711 . . . . . . . . 4 3 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.1 pt? -78.79 122.83 26.53 Favored 'General case' 0 CA--C 1.558 1.263 1 O-C-N 115.024 -4.798 . . . . 0.0 115.63 21.969 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -161.3 -68.17 0.06 Allowed 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 103.738 -2.69 . . . . 0.0 103.738 170.594 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.24 139.16 44.15 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.262 0.553 . . . . 0.0 110.141 138.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 152.4 -84.84 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.883 1 N-CA-C 100.158 -4.016 . . . . 0.0 100.158 -172.154 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -50.39 167.31 0.06 Allowed 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 119.834 3.272 . . . . 0.0 119.834 151.339 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.829 33.8 p-90 76.18 40.43 0.25 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 170.85 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.04 85.24 2.26 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 124.221 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.34 113.63 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -164.903 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.593 0.2 OUTLIER 72.09 -85.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 117.012 -1.47 . . . . 0.0 111.777 -163.165 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -76.04 111.51 11.5 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 122.124 2.238 . . . . 0.0 108.074 170.161 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 p30 . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 123.6 0.76 . . . . 0.0 109.557 -175.045 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 tp -79.91 137.05 36.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.603 0.761 . . . . 0.0 110.101 171.686 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.262 2.9 mp -111.93 -86.46 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 119.317 -0.373 . . . . 0.0 110.137 170.644 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.714 0.5 OUTLIER 86.36 122.93 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 125.764 1.626 . . . . 0.0 113.207 -171.291 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.91 123.87 20.08 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 116.375 -3.953 . . . . 0.0 116.092 17.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -108.01 120.6 42.78 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 -179.243 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -104.68 91.79 4.0 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.42 -165.963 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER -166.87 70.0 0.11 Allowed 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.297 1.046 . . . . 0.0 110.495 137.846 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 176.4 60.46 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 118.003 -2.935 . . . . 0.0 110.061 77.376 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 m -78.41 -72.05 0.4 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.342 1.057 . . . . 0.0 110.455 169.476 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.54 126.71 31.36 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.106 0.963 . . . . 0.0 109.69 177.319 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.378 0.0 OUTLIER -78.19 -86.78 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.154 -163.315 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.775 0 CA-C-N 121.571 1.987 . . . . 0.0 111.972 -172.152 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 CA--C 1.562 1.422 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.351 49.3 mt 79.94 -88.63 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 120.069 1.304 . . . . 0.0 113.015 160.353 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.6 143.48 50.78 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 122.459 1.123 . . . . 0.0 109.902 176.155 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.36 -68.85 0.43 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 116.105 -1.902 . . . . 0.0 108.794 -158.019 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.561 6.2 mt 70.76 -167.92 0.16 Allowed 'General case' 0 N--CA 1.498 1.952 2 CA-C-N 130.116 5.871 . . . . 0.0 116.595 -13.549 . . . . . . . . 3 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.74 -82.8 0.63 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.918 0.887 . . . . 0.0 109.099 -175.379 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.294 56.0 mttm 69.53 133.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.264 . . . . 0.0 112.735 -166.398 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.258 0.0 OUTLIER 51.56 -23.14 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 120.832 3.642 . . . . 0.0 120.832 82.126 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.71 118.28 33.89 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.204 1.802 . . . . 0.0 107.729 -172.72 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.0 p -56.93 -79.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -161.335 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.424 0.5 OUTLIER 67.48 142.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 166.344 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.7 t90 -130.94 119.34 21.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.486 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 t30 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.819 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.416 0.9 OUTLIER . . . . . 0 CA--C 1.57 1.733 0 CA-C-O 115.739 -2.077 . . . . 0.0 114.204 . . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.464 43.4 mt 80.75 143.97 0.08 Allowed 'General case' 0 N--CA 1.497 1.893 2 CA-C-N 131.161 6.346 . . . . 0.0 114.002 0.917 . . . . . . . . 3 2 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -94.2 128.46 40.64 Favored 'General case' 0 N--CA 1.486 1.344 1 O-C-N 113.051 -6.031 . . . . 0.0 109.215 1.155 . . . . . . . . 4 4 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.86 134.01 51.21 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -130.052 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.16 -94.43 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 117.181 -1.39 . . . . 0.0 111.348 -103.849 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.341 0.0 OUTLIER -168.56 112.59 0.59 Allowed 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 104.397 -2.446 . . . . 0.0 104.397 137.593 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.425 9.0 tttt 87.47 -55.69 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 2 O-C-N 114.471 -5.143 . . . . 0.0 114.931 4.133 . . . . . . . . 3 2 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -141.91 -72.78 0.32 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.888 0.875 . . . . 0.0 110.765 -170.177 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.42 -38.36 9.24 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -158.518 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.395 7.9 p 88.39 46.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 172.718 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.17 152.68 32.45 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -179.567 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -89.11 113.86 25.06 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.429 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.947 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.87 128.63 35.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.479 0.712 . . . . 0.0 109.821 -175.764 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.534 0.2 OUTLIER 63.14 147.27 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 179.134 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -77.82 -59.67 2.68 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.539 1.136 . . . . 0.0 113.037 -172.952 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.71 124.84 26.78 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.602 0.761 . . . . 0.0 109.754 -174.478 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 58.26 78.72 0.23 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.695 0.798 . . . . 0.0 110.233 -170.501 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -49.48 -42.48 43.41 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 118.801 2.889 . . . . 0.0 118.801 -158.646 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -71.07 0.16 Allowed 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -164.02 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.505 . . 70.88 -67.89 0.23 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 169.238 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -143.77 72.85 1.37 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 122.372 2.351 . . . . 0.0 113.467 -173.21 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.41 111.58 6.49 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 172.176 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.441 0.0 OUTLIER 49.5 -178.22 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.502 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 168.516 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 . . . . . 0 N--CA 1.484 1.25 2 O-C-N 112.09 -6.631 . . . . 0.0 110.384 -29.53 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.28 0.562 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 2' ' ' LEU . 4.6 mm? -62.61 -40.05 95.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.723 . . . . 0.0 110.007 179.45 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt 52.86 103.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.646 -0.659 . . . . 0.0 111.443 179.683 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 45.0 45.73 8.91 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 121.79 0.805 . . . . 0.0 111.788 178.618 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 10' ' ' SER . 1.2 tt -156.01 40.71 0.38 Allowed 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 121.852 0.834 . . . . 0.0 110.003 -178.186 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 9' ' ' ALA . 1.7 t0 167.63 -55.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -178.972 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.06 -40.52 96.45 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.415 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.51 18.33 18.15 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 173.842 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' ASP 0.257 . . 46.71 30.15 1.1 Allowed 'General case' 0 N--CA 1.513 2.708 0 CA-C-O 122.125 0.964 . . . . 0.0 109.052 -178.164 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.511 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.4 t 56.56 92.08 0.03 OUTLIER 'General case' 0 N--CA 1.513 2.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.096 -177.722 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.594 ' H ' HD12 ' A' ' 11' ' ' LEU . 2.0 mp -60.06 -32.89 71.35 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.489 -0.757 . . . . 0.0 110.56 -179.493 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m0 -139.82 147.49 40.81 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.475 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.656 -1.277 . . . . 0.0 110.412 179.989 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.9 129.0 35.36 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 172.716 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.56 96.92 10.82 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.849 0.46 . . . . 0.0 110.466 -164.537 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -136.17 178.78 6.79 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 122.428 1.109 . . . . 0.0 111.408 -167.232 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.36 34.5 mt 98.2 82.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.351 1.46 . . . . 0.0 113.803 156.882 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -151.88 150.07 29.67 Favored 'General case' 0 CA--C 1.567 1.625 1 O-C-N 116.24 -4.037 . . . . 0.0 108.568 -60.501 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -72.95 -35.01 66.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -179.508 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.264 0.0 OUTLIER -60.07 135.41 57.7 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -161.271 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.94 146.01 30.57 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.935 175.593 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -70.11 153.43 43.17 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.933 0.493 . . . . 0.0 112.215 170.011 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.303 2.5 mm? 79.69 152.18 0.12 Allowed 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 124.421 1.088 . . . . 0.0 111.758 -174.248 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -105.22 0.21 Allowed 'General case' 0 N--CA 1.488 1.444 1 O-C-N 114.578 -5.076 . . . . 0.0 110.796 17.086 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 20.8 m120 . . . . . 0 N--CA 1.493 1.684 0 C-N-CA 124.603 1.161 . . . . 0.0 111.383 -160.228 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -94.64 116.12 28.37 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.799 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.86 117.78 21.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.125 0.57 . . . . 0.0 109.645 -176.909 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -79.08 -72.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -166.364 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.258 13.1 mt -86.67 -176.93 6.0 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.576 1.179 . . . . 0.0 114.096 -165.98 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.12 128.52 36.35 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -125.291 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -142.69 83.76 1.82 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 159.618 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.13 109.49 1.99 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 176.026 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . 74.34 152.4 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.854 1.428 . . . . 0.0 114.854 -178.747 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.324 66.9 p 63.68 84.81 0.14 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.829 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.1 102.49 11.82 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 170.009 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -140.18 127.47 21.21 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -168.835 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 123.261 0.624 . . . . 0.0 111.386 173.585 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.5 tp -94.71 119.8 33.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.309 0.644 . . . . 0.0 110.17 -179.649 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.42 130.38 19.4 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.38 0.672 . . . . 0.0 109.697 174.798 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -155.04 102.0 2.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.38 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.377 17.9 tp 75.39 97.05 0.07 Allowed 'General case' 0 N--CA 1.493 1.676 2 O-C-N 114.528 -5.108 . . . . 0.0 114.709 -6.98 . . . . . . . . 3 2 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.84 -78.62 0.05 OUTLIER 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 123.955 0.902 . . . . 0.0 113.299 -175.013 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.342 37.7 mttp 71.96 -69.9 0.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.679 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.269 54.0 p-90 -18.11 102.04 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 -156.73 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -62.56 1.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -169.815 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.301 26.7 t 156.14 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 125.412 1.485 . . . . 0.0 107.313 147.113 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.77 130.51 54.96 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 168.488 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.326 47.4 t-105 -126.15 -126.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.618 177.082 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.287 59.9 m-80 . . . . . 0 N--CA 1.494 1.742 0 C-N-CA 124.25 1.02 . . . . 0.0 109.984 -153.671 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.303 47.6 tp -132.02 -72.89 0.52 Allowed 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.952 167.309 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.28 -160.59 0.79 Allowed 'General case' 0 CA--C 1.579 2.078 2 O-C-N 114.46 -5.15 . . . . 0.0 108.743 -10.522 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.75 -18.51 21.83 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.508 -1.995 . . . . 0.0 116.185 150.557 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.42 -87.22 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.135 1.374 . . . . 0.0 111.41 -176.197 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.365 37.3 m-20 58.0 -103.65 0.19 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.908 1.283 . . . . 0.0 111.317 -171.461 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -162.98 -58.16 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 155.408 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -74.67 103.18 4.86 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -134.453 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.06 29.55 7.54 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 162.886 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.369 8.2 t 71.29 -80.55 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.283 1.433 . . . . 0.0 114.401 -176.097 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.352 2.3 tm? 77.3 -65.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.959 1.304 . . . . 0.0 112.522 -171.203 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -62.1 153.85 28.77 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 171.652 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 123.355 0.662 . . . . 0.0 109.712 177.866 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 48.1 mt 78.97 -73.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.758 1.223 . . . . 0.0 113.684 177.912 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.272 2.7 mm? 75.08 143.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.891 1.276 . . . . 0.0 112.922 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.87 -36.3 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 177.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -75.86 115.09 15.2 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 119.794 1.179 . . . . 0.0 112.228 -171.28 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.59 -66.49 1.08 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.944 0.898 . . . . 0.0 108.8 172.684 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.321 46.5 tptt 82.87 -59.67 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 166.764 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.294 67.1 t90 65.69 80.87 0.22 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 123.842 0.857 . . . . 0.0 109.255 -154.359 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.83 -38.19 4.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -162.464 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -61.32 142.36 56.93 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -165.685 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.14 136.45 37.12 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -152.806 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -28.32 150.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 168.973 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.489 1.524 0 C-N-CA 123.308 0.643 . . . . 0.0 110.648 167.828 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 CA--C 1.555 1.152 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.87 -37.92 87.45 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 170.859 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.67 -39.34 84.13 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.886 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.05 -40.37 95.54 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 166.462 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.84 -39.27 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 116.004 1.854 . . . . 0.0 116.004 171.481 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -58.19 -35.08 71.09 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 171.284 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.91 -38.63 91.73 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 170.489 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -61.68 -36.54 81.16 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 168.411 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.72 69.45 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 168.119 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 t -61.16 -39.11 88.87 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 169.157 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.86 -39.66 71.8 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 170.903 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -52.66 -39.55 61.96 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 171.081 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 p30 . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 124.273 1.029 . . . . 0.0 112.472 178.437 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp 62.42 119.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.525 1.13 . . . . 0.0 113.108 -173.099 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 152.38 0.75 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.965 1.706 . . . . 0.0 115.258 163.651 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.263 7.9 pt-20 63.4 -69.2 0.08 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 115.811 -2.042 . . . . 0.0 114.671 -177.093 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.595 5.2 tp 48.52 -113.2 0.54 Allowed 'General case' 0 C--N 1.387 2.219 0 CA-C-N 123.856 3.026 . . . . 0.0 115.796 -162.495 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.289 13.6 t70 -72.57 -17.93 61.66 Favored 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 -178.674 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.3 1.4 pttt 25.82 70.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.619 1 N-CA-C 122.212 4.153 . . . . 0.0 122.212 155.339 . . . . . . . . 3 2 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.374 0.0 OUTLIER 50.94 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.965 2 CA-C-N 103.141 -6.391 . . . . 0.0 116.562 156.742 . . . . . . . . 4 3 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.417 . . -150.19 88.66 1.53 Allowed 'General case' 0 CA--C 1.558 1.27 0 O-C-N 120.788 -1.195 . . . . 0.0 112.751 -158.191 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.331 8.0 t 49.29 84.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.648 1.579 . . . . 0.0 113.194 169.004 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' H ' HD13 ' A' ' 11' ' ' LEU 0.626 0.0 OUTLIER 2.13 -118.33 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -139.49 . . . . . . . . 4 4 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.31 125.56 0.09 Allowed 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 -137.519 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 -178.488 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 14.6 tp 69.4 -91.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.286 1.434 . . . . 0.0 111.741 179.387 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.209 0 CA-C-O 116.19 -1.862 . . . . 0.0 114.234 179.242 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -118.59 -56.92 2.1 Favored 'General case' 1 N--CA 1.558 4.955 0 CA-C-N 123.102 2.683 . . . . 0.0 108.765 -178.606 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.297 56.6 tp 65.38 162.78 0.15 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 124.43 3.286 . . . . 0.0 113.351 -168.117 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.304 10.2 m-20 -48.96 -72.04 0.06 Allowed 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.38 3.467 . . . . 0.0 118.73 -178.752 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.372 39.8 mtmt 87.21 90.72 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.587 1 CA-C-N 105.583 -5.28 . . . . 0.0 109.867 167.969 . . . . . . . . 3 2 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.401 0.0 OUTLIER 59.72 92.99 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 111.609 -2.541 . . . . 0.0 110.859 -161.939 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.58 . . -94.87 0.88 55.18 Favored 'General case' 0 N--CA 1.504 2.264 1 N-CA-C 121.928 4.048 . . . . 0.0 121.928 -153.219 . . . . . . . . 3 2 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.71 94.69 0.42 Allowed 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -157.219 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.603 0.0 OUTLIER 54.94 177.09 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 109.947 -3.297 . . . . 0.0 117.177 171.88 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.258 0.1 OUTLIER -27.25 -28.75 0.0 OUTLIER 'General case' 0 CA--C 1.595 2.684 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 155.532 . . . . . . . . 4 3 . 1 . 064 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.375 1.694 0 CA-C-N 123.413 2.824 . . . . 0.0 108.176 -164.298 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.269 20.3 tp 73.49 146.75 0.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.807 1.243 . . . . 0.0 113.755 176.785 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 111.95 4.58 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.039 0.935 . . . . 0.0 111.178 175.431 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.378 46.6 mt-10 66.2 -100.68 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.745 1.218 . . . . 0.0 113.123 179.79 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.27 12.6 tp 65.41 -175.54 0.18 Allowed 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 119.351 0.978 . . . . 0.0 112.026 -167.679 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -81.13 108.31 14.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.583 -1.323 . . . . 0.0 107.737 165.331 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -85.14 97.31 9.81 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.77 0.795 . . . . 0.0 109.827 -161.549 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.453 1.7 p90 44.7 68.65 0.52 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -154.434 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.314 . . 59.07 -140.89 0.69 Allowed 'General case' 0 CA--C 1.571 1.755 0 C-N-CA 123.898 0.879 . . . . 0.0 113.093 -167.908 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -82.87 -68.34 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.732 1.151 . . . . 0.0 112.241 -179.972 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 155.17 33.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.423 1.01 . . . . 0.0 112.287 -176.92 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -77.4 115.59 17.29 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.682 0.793 . . . . 0.0 109.162 168.133 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.181 176.616 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 tt 62.45 98.21 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 125.347 1.459 . . . . 0.0 113.835 173.224 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.411 3.3 mm? 77.94 115.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 2 O-C-N 114.448 -5.158 . . . . 0.0 114.245 -3.252 . . . . . . . . 3 2 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 63.91 77.15 0.33 Allowed 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 175.859 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.311 14.8 tp 66.26 94.65 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 1 O-C-N 114.282 -5.261 . . . . 0.0 119.111 -37.116 . . . . . . . . 3 2 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -138.34 91.45 2.56 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 163.314 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 tptt 55.68 79.68 0.16 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.364 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.05 72.3 0.84 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.828 0.823 . . . . 0.0 109.653 176.517 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.16 -67.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.145 0.978 . . . . 0.0 109.132 -177.583 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.3 m -75.25 -53.51 8.66 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.601 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.07 115.26 27.88 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.899 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.423 12.0 p90 58.36 100.18 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -179.645 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 N--CA 1.488 1.453 1 O-C-N 115.593 -4.442 . . . . 0.0 109.451 -1.623 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.346 7.0 mp 70.55 85.77 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 2 O-C-N 115.042 -4.786 . . . . 0.0 112.561 0.312 . . . . . . . . 3 2 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 145.35 52.17 Favored 'General case' 0 N--CA 1.491 1.619 1 O-C-N 115.323 -4.611 . . . . 0.0 115.623 8.797 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.56 -52.62 0.35 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -175.304 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 tp -70.2 -71.48 0.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.5 1.046 . . . . 0.0 110.566 174.904 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -2.88 -43.92 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 1 N-CA-C 123.008 4.447 . . . . 0.0 123.008 137.295 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.51 -68.17 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.681 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -95.47 100.13 11.93 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.913 0.779 . . . . 0.0 111.23 -167.434 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 80.04 0.52 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 156.809 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -155.59 -72.57 0.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.436 -169.578 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.25 152.59 42.79 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.105 0.955 . . . . 0.0 110.706 -160.621 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.301 6.3 t-105 85.62 65.65 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 126.065 1.746 . . . . 0.0 110.845 -178.5 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.254 1.3 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -169.855 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.7 tp -134.9 120.17 18.95 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.235 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 pp -139.63 160.09 40.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.862 0.839 . . . . 0.0 111.845 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -110.26 -37.54 5.51 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.887 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.42 115.86 11.07 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.253 1.388 . . . . 0.0 110.989 -174.75 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.53 -74.72 0.24 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.427 0.691 . . . . 0.0 112.012 -171.107 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.47 -33.87 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -179.39 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -99.57 149.19 23.51 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 122.709 1.243 . . . . 0.0 114.219 -143.518 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.61 -172.68 4.25 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.821 153.047 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m 57.7 80.37 0.17 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.664 -1.273 . . . . 0.0 114.184 172.69 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.33 129.84 34.86 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.421 0.629 . . . . 0.0 111.714 -169.219 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.617 0.1 OUTLIER 99.46 -54.16 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 126.071 1.748 . . . . 0.0 114.472 179.501 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.49 1.57 0 CA-C-N 119.222 0.919 . . . . 0.0 110.243 174.283 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.77 -79.35 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.948 -175.84 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.285 3.8 pp -68.84 131.57 45.34 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 120.113 1.324 . . . . 0.0 112.727 -167.264 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.363 41.4 tt0 76.05 -60.08 0.5 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -164.989 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.296 2.9 tp -69.51 -77.61 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -140.09 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.75 -58.78 5.81 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.634 1.561 . . . . 0.0 114.842 -169.073 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.56 71.91 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.896 2.924 . . . . 0.0 118.896 -176.849 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.35 48.22 1.46 Allowed 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 119.917 1.235 . . . . 0.0 111.839 -166.022 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.2 37.11 1.6 Allowed 'General case' 0 CA--C 1.575 1.92 0 O-C-N 120.086 -1.634 . . . . 0.0 112.404 127.194 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -151.68 79.69 1.27 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 120.852 -1.155 . . . . 0.0 110.7 -179.87 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.482 0.0 OUTLIER 177.4 -83.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 154.717 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -84.45 108.63 17.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 121.265 1.848 . . . . 0.0 108.166 173.106 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 174.813 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.3 tp -88.69 -116.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.874 -1.06 . . . . 0.0 108.38 173.033 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.564 1.2 pp 37.5 -106.51 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -178.459 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -40.15 47.26 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 179.943 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.7 tp -43.48 -69.04 0.15 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -169.052 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.03 -62.23 1.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.635 0.774 . . . . 0.0 112.105 -171.657 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -36.06 -59.98 0.58 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 167.9 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.323 0.0 OUTLIER -98.83 58.98 1.19 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -179.183 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.75 31.96 6.05 Favored 'General case' 0 CA--C 1.574 1.882 0 CA-C-N 113.665 -1.607 . . . . 0.0 112.562 141.565 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -116.54 -96.2 0.47 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 116.827 -1.559 . . . . 0.0 111.724 -178.452 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.331 1.3 mm? -48.02 -46.29 32.83 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 119.857 3.28 . . . . 0.0 119.857 -136.218 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -116.55 117.66 30.48 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.694 1.588 . . . . 0.0 108.724 153.881 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.442 13.6 p30 . . . . . 0 N--CA 1.488 1.474 0 C-N-CA 125.613 1.565 . . . . 0.0 114.636 -172.01 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 118.799 -0.619 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.379 7.1 mp 76.81 -89.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.776 1.23 . . . . 0.0 110.546 -174.899 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.52 109.9 17.76 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 119.491 1.041 . . . . 0.0 108.809 -178.894 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.88 -84.05 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.95 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.347 17.5 tp 64.03 162.7 0.12 Allowed 'General case' 0 CA--C 1.571 1.773 0 CA-C-O 122.594 1.188 . . . . 0.0 113.794 -171.678 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -47.5 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 -101.864 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -115.2 78.16 1.14 Allowed 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 106.735 -1.579 . . . . 0.0 106.735 160.636 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.642 0.0 OUTLIER 111.19 64.24 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 127.204 2.202 . . . . 0.0 113.427 -179.914 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.02 -158.95 0.78 Allowed 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 123.957 0.903 . . . . 0.0 110.223 168.052 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.471 0.2 OUTLIER 131.05 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 147.911 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.344 6.0 tp -40.17 -51.85 2.63 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 121.102 3.742 . . . . 0.0 121.102 -144.898 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -121.73 101.14 7.4 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 154.035 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.439 2.1 p-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -172.788 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.6 tp -133.95 109.55 9.09 Favored 'General case' 0 CA--C 1.562 1.405 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 171.966 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.79 112.49 24.22 Favored 'General case' 0 N--CA 1.483 1.207 1 O-C-N 115.732 -4.355 . . . . 0.0 111.667 8.225 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.269 0.1 OUTLIER -169.86 128.71 0.93 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.226 101.446 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.468 5.0 mp 55.12 -158.13 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 2 O-C-N 114.457 -5.152 . . . . 0.0 119.15 -31.127 . . . . . . . . 3 2 . 1 . 072 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.292 4.8 t70 24.62 -84.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 171.51 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.28 74.88 8.63 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.145 0.974 . . . . 0.0 111.039 166.729 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -94.12 58.04 2.47 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 156.128 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.255 . . -100.25 -154.95 0.49 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 120.767 -1.208 . . . . 0.0 111.982 -159.411 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.528 0.6 OUTLIER 14.4 150.22 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.905 1 N-CA-C 124.04 4.83 . . . . 0.0 124.04 -122.444 . . . . . . . . 4 3 . 1 . 072 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.823 0.4 OUTLIER 62.87 -85.21 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 110.819 -2.901 . . . . 0.0 117.769 -166.905 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -102.48 107.69 18.74 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 122.879 2.581 . . . . 0.0 110.782 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.489 1.511 0 C-N-CA 123.814 0.846 . . . . 0.0 109.238 172.272 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.357 6.3 mp 69.1 96.67 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 1 O-C-N 115.344 -4.598 . . . . 0.0 112.866 -1.974 . . . . . . . . 3 2 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.45 1.0 OUTLIER 55.1 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.131 1.372 . . . . 0.0 114.433 -173.804 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 160.32 -55.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 126.698 1.999 . . . . 0.0 107.631 -164.777 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -50.81 109.17 0.29 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 -162.841 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -132.48 -102.56 0.26 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 102.969 -2.975 . . . . 0.0 102.969 156.248 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.261 1.5 mttt 71.72 151.41 0.11 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.399 1.999 . . . . 0.0 116.399 148.722 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.298 2.1 t-105 75.79 -32.13 0.21 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.354 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.52 -3.86 2.44 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -175.979 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.297 0.1 OUTLIER -50.14 -73.24 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.647 1 N-CA-C 122.377 4.214 . . . . 0.0 122.377 -120.484 . . . . . . . . 4 3 . 1 . 073 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.362 1.5 tm? 48.71 139.62 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 O-C-N 116.864 -3.648 . . . . 0.0 115.5 92.206 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.388 0.2 OUTLIER 30.16 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 119.375 3.102 . . . . 0.0 119.375 -179.054 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -172.942 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 CA--C 1.552 1.021 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.259 21.0 tp 71.73 139.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.651 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -135.12 159.95 39.89 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 0.0 109.898 172.082 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.309 66.5 mt-10 87.12 -59.68 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 176.656 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.308 2.9 mt 50.59 86.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.851 1.66 . . . . 0.0 114.051 -162.573 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.49 18.94 6.08 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.725 2.121 . . . . 0.0 116.725 -175.889 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 42.4 mtmt 47.68 52.23 12.92 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -161.83 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.568 0.0 OUTLIER 63.76 -81.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 125.475 1.51 . . . . 0.0 113.306 -158.113 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.58 28.62 1.79 Allowed 'General case' 0 CA--C 1.577 2.0 0 C-N-CA 125.286 1.434 . . . . 0.0 111.938 164.429 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.622 0.3 OUTLIER 50.55 -79.93 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -147.743 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -151.21 132.12 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 120.953 1.706 . . . . 0.0 110.727 -178.931 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -70.25 135.23 48.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.417 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.55 179.899 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 CA--C 1.559 1.318 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.324 1.2 tt 74.86 87.39 0.09 Allowed 'General case' 0 CA--C 1.571 1.767 1 O-C-N 115.496 -4.503 . . . . 0.0 111.827 -1.365 . . . . . . . . 3 2 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.77 137.25 41.86 Favored 'General case' 0 N--CA 1.491 1.611 1 O-C-N 115.536 -4.478 . . . . 0.0 112.692 13.527 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -143.66 -75.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.088 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.58 113.38 12.94 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 158.014 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.59 -31.15 1.22 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.858 2.169 . . . . 0.0 116.858 175.199 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.389 7.2 mptt -83.34 -174.76 5.48 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.231 2.287 . . . . 0.0 110.483 162.808 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.403 ' CH2' HD23 ' A' ' 11' ' ' LEU 0.383 0.0 OUTLIER -70.94 91.37 0.86 Allowed 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 121.951 2.159 . . . . 0.0 115.057 -130.609 . . . . . . . . 4 4 . 1 . 075 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.68 60.04 1.59 Allowed 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 111.191 -2.731 . . . . 0.0 108.425 -167.365 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -116.46 -145.84 0.39 Allowed 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 174.589 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 11' ' ' LEU 0.714 0.2 OUTLIER 99.49 -120.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 145.31 . . . . . . . . 4 4 . 1 . 075 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -77.55 95.1 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 121.826 2.103 . . . . 0.0 110.174 -164.62 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.255 1.365 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.711 -170.528 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.388 1.0 OUTLIER 81.39 96.97 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.728 1 O-C-N 115.514 -4.491 . . . . 0.0 110.746 -0.966 . . . . . . . . 4 3 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.17 129.38 38.34 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 116.15 -4.094 . . . . 0.0 114.785 14.073 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -160.27 -72.75 0.07 Allowed 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 177.415 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 150.46 25.55 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 123.838 1.78 . . . . 0.0 109.419 170.021 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 144.92 -64.36 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -111.454 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -73.64 -61.14 1.94 Allowed 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -172.394 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -72.75 -18.5 61.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 -162.211 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.47 -26.58 13.26 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 162.244 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 t -86.35 155.3 20.67 Favored 'General case' 0 CA--C 1.571 1.764 0 CA-C-O 123.572 1.653 . . . . 0.0 111.289 163.865 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.718 3.6 mm? 11.47 -92.7 0.0 OUTLIER 'General case' 0 CA--C 1.571 1.783 1 N-CA-C 124.989 5.181 . . . . 0.0 124.989 -141.587 . . . . . . . . 3 2 . 1 . 076 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -70.3 119.67 14.83 Favored 'General case' 0 N--CA 1.507 2.391 0 CA-C-N 123.124 2.693 . . . . 0.0 110.697 -170.922 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -176.762 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -72.41 161.47 30.78 Favored 'General case' 0 CA--C 1.57 1.732 0 O-C-N 121.739 -0.601 . . . . 0.0 111.695 171.908 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . 0.385 2.0 mm? 91.89 -78.37 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.062 1.345 . . . . 0.0 109.716 -173.841 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.06 -52.86 5.42 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.259 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.5 mt -82.55 161.42 22.31 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.046 1.294 . . . . 0.0 110.601 167.39 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . 0.312 35.0 m-20 79.05 -74.23 0.06 Allowed 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.287 1.035 . . . . 0.0 112.674 172.159 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -62.81 -57.78 9.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.379 1.072 . . . . 0.0 113.502 171.451 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 37.4 t90 -94.46 55.32 1.95 Allowed 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.436 0.636 . . . . 0.0 111.646 178.861 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.57 -58.81 1.82 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.479 1.112 . . . . 0.0 110.452 175.539 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -73.67 141.66 46.45 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.714 1.245 . . . . 0.0 110.477 159.173 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.34 166.74 21.26 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.986 -138.308 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.265 15.3 t-105 14.67 102.44 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 4 O-C-N 111.103 -7.248 . . . . 0.0 122.96 2.34 . . . . . . . . 3 2 . 1 . 077 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.844 0.858 . . . . 0.0 110.391 174.174 . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 118.721 -0.656 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.361 7.0 mp 73.34 -90.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 124.826 1.25 . . . . 0.0 111.085 -177.459 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.66 113.84 18.12 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.557 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -158.3 -59.26 0.08 Allowed 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.79 -172.886 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.47 116.38 12.85 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -151.337 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -115.89 -121.38 0.3 Allowed 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 158.726 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.536 0.8 OUTLIER 117.43 145.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 O-C-N 119.896 -1.753 . . . . 0.0 112.833 114.153 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -36.3 109.94 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -109.366 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 41.52 1.79 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.331 1.974 . . . . 0.0 116.331 -167.589 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.283 41.8 t -98.11 -119.67 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.858 -1.151 . . . . 0.0 108.372 167.486 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.376 0.6 OUTLIER 67.36 -86.71 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 120.155 1.343 . . . . 0.0 114.549 -175.43 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.386 1.5 t-105 -39.1 -104.88 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 -128.368 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 p30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-N 121.052 1.751 . . . . 0.0 111.277 -166.007 . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.554 1.124 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -129.01 106.71 9.06 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.23 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.29 140.16 34.94 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.669 0.388 . . . . 0.0 110.644 -176.984 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -129.63 -63.9 0.91 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.31 178.875 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.272 60.5 tp 71.82 120.65 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-N 119.935 1.243 . . . . 0.0 111.333 -172.936 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -131.24 92.09 3.13 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 110.022 -169.114 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -109.22 -57.52 2.15 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.025 0.93 . . . . 0.0 111.092 166.586 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . 0.596 0.0 OUTLIER 18.8 97.06 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.83 1 N-CA-C 121.868 4.025 . . . . 0.0 121.868 -159.927 . . . . . . . . 4 3 . 1 . 079 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.441 . . 83.62 -163.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.771 2.137 . . . . 0.0 116.771 124.284 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.413 8.3 t 65.55 -127.19 0.31 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 125.524 1.53 . . . . 0.0 112.342 -162.724 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.628 HD13 ' H ' ' A' ' 12' ' ' TRP 0.577 0.0 OUTLIER 68.38 -76.25 0.06 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.424 . . . . . . . . 4 4 . 1 . 079 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.628 ' H ' HD13 ' A' ' 11' ' ' LEU 0.733 0.0 OUTLIER 78.27 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 126.523 1.929 . . . . 0.0 113.828 175.188 . . . . . . . . 4 4 . 1 . 079 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . 0.256 21.7 p-10 . . . . . 0 N--CA 1.5 2.053 0 CA-C-N 122.954 2.615 . . . . 0.0 111.878 179.07 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.159 0.504 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.34 140.12 37.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.584 -0.698 . . . . 0.0 110.231 -179.937 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.15 147.44 42.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.586 -0.696 . . . . 0.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -52.78 -32.52 44.14 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.882 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 tt -105.28 14.25 29.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.832 -1.167 . . . . 0.0 111.942 -179.238 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -54.38 -49.13 70.56 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-O 121.639 0.733 . . . . 0.0 111.853 -179.085 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -168.46 -109.85 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.189 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.46 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 56.1 p-90 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.981 -1.074 . . . . 0.0 108.962 177.159 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -41.71 -30.63 0.24 Allowed 'General case' 0 N--CA 1.507 2.378 0 CA-C-O 121.508 0.67 . . . . 0.0 111.582 -179.885 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -84.62 57.49 4.37 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.256 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -68.86 150.3 47.94 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.773 -0.579 . . . . 0.0 109.574 -179.051 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.2 m0 49.16 39.96 16.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.918 -1.114 . . . . 0.0 111.468 175.31 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.0 p30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.172 -179.841 . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.092 0.472 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.08 -39.85 87.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.436 -0.79 . . . . 0.0 109.985 179.9 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -100.58 141.5 33.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.594 -0.691 . . . . 0.0 109.514 179.307 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -52.66 -39.94 62.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 111.947 -178.581 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 8' ' ' TRP . 15.9 tp -131.87 161.68 32.42 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 120.837 -1.164 . . . . 0.0 108.961 179.265 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.65 -70.09 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.53 -0.731 . . . . 0.0 109.194 -179.24 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.275 28.7 tptt -51.37 -37.06 46.12 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.074 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.758 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -86.42 -34.12 20.25 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.762 -178.245 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -71.03 -59.64 2.67 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.55 -179.21 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -76.0 66.46 2.2 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.487 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -120.92 -29.39 4.62 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.395 0.617 . . . . 0.0 110.517 -179.622 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 11' ' ' LEU . 7.5 m95 -114.28 9.59 17.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.989 -0.444 . . . . 0.0 111.188 -177.36 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.089 -1.007 . . . . 0.0 110.348 179.777 . . . . . . . . 0 0 . 1 stop_ save_