data_2r1q_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 2r1q _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.9 0 N-CA-C 113.015 0.746 . . . . 57.259999999999998 113.015 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.01 61.25 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.91 1.124 . . . . 56.539999999999999 115.91 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . 0.987 ' CD2' ' IE ' ' A' ' 54' ' ' IYR . 41.7 m-85 -104.28 10.71 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.189 0.441 . . . . 53.939999999999998 112.189 173.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.37 -49.43 75.57 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.249 1.574 . . . . 53.259999999999998 115.249 -174.676 178.164 62.477 92.779 106.039 2.053 105.459 -74.584 -65.295 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -37.36 83.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 118.511 -1.276 . . . . 60.340000000000003 113.136 -176.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.78 -29.25 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.766 0.317 . . . . 50.850000000000001 111.351 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -62.47 1.69 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.896 -0.779 . . . . 48.439999999999998 108.896 173.833 -178.841 -91.43 -93.708 105.001 2.015 103.134 -75.484 -59.731 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -47.39 -38.95 14.18 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.062 -0.718 . . . . 49.960000000000001 109.062 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -69.62 -47.74 62.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.271 0.841 . . . . 49.920000000000002 113.271 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -68.07 -43.24 79.05 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.249 0.343 . . . . 47.659999999999997 111.872 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.67 -30.17 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.212 -0.662 . . . . 47.799999999999997 109.212 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.82 -47.56 87.93 Favored Glycine 0 C--O 1.22 -0.721 0 CA-C-N 116.343 -0.39 . . . . 48.670000000000002 112.623 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -36.69 80.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.54 0.57 . . . . 50.68 112.54 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.67 -62.23 2.03 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.274 -0.639 . . . . 49.829999999999998 109.274 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -38.78 -43.52 0.93 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.866 1.266 . . . . 52.43 112.95 172.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -80.62 -20.36 43.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.318 1.047 . . . . 58.390000000000001 112.448 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.05 2.16 8.62 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.116 1.524 . . . . 56.939999999999998 115.116 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -126.55 142.0 51.68 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.724 -1.213 . . . . 57.270000000000003 107.724 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.93 145.53 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.452 -0.499 . . . . 66.069999999999993 110.869 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.35 8.29 0.05 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.422 1.638 . . . . 63.729999999999997 115.422 -170.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -127.79 13.7 6.9 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.206 1.187 . . . . 64.870000000000005 114.206 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 m -55.72 150.66 12.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.973 -0.558 . . . . 59.259999999999998 111.285 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.6 p -83.57 155.75 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 57.039999999999999 110.56 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -36.73 -42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.377 0.88 . . . . 61.649999999999999 113.377 171.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.69 -24.87 61.9 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.403 0.89 . . . . 60.93 113.403 -176.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -87.73 -28.58 21.66 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.84 0.311 . . . . 57.560000000000002 111.84 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 mt -73.55 -36.29 47.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 123.092 0.245 . . . . 51.979999999999997 110.613 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.22 -60.78 3.23 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.81 0.338 . . . . 49.75 110.809 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.81 -50.43 34.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 49.039999999999999 111.068 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.19 -50.71 73.0 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.895 -0.322 . . . . 47.840000000000003 111.774 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.36 -40.81 71.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.309 0.855 . . . . 47.240000000000002 113.309 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.85 0.45 34.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 51.450000000000003 111.409 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.11 -15.59 8.69 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.467 -0.333 . . . . 57.719999999999999 111.107 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.09 69.07 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 118.678 2.231 . . . . 49.119999999999997 118.678 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.78 -30.75 62.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.764 1.024 . . . . 50.25 113.764 -175.96 -66.433 -56.45 -74.607 103.825 2.03 102.417 -81.408 175.355 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.75 -3.69 23.39 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.928 0.344 . . . . 50.420000000000002 111.928 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.49 -9.46 20.2 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 112.691 0.626 . . . . 52.700000000000003 112.691 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.01 155.26 64.28 Favored Pre-proline 0 N--CA 1.437 -1.087 0 N-CA-C 105.74 -1.948 . . . . 50.07 105.74 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.41 151.91 2.71 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 O-C-N 122.791 0.89 . . . . 51.289999999999999 111.596 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -41.93 -50.11 10.63 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 115.882 1.808 . . . . 57.5 115.882 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.99 -29.53 54.92 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.485 2.123 . . . . 51.509999999999998 115.554 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -92.05 -12.78 32.2 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 115.421 1.637 . . . . 50.340000000000003 115.421 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -52.9 -61.64 2.16 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 118.128 -1.429 . . . . 55.189999999999998 112.583 -168.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.01 -32.4 72.88 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.882 1.438 . . . . 51.979999999999997 114.882 -174.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.52 -41.77 83.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.396 -0.365 . . . . 46.390000000000001 110.889 172.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.7 t -61.95 -54.34 43.16 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.982 -0.554 . . . . 47.829999999999998 111.918 -177.902 175.355 -81.408 -74.607 102.417 2.03 103.825 -56.45 -66.433 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -74.67 -4.51 37.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.283 -1.367 . . . . 53.350000000000001 112.893 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -85.23 -41.88 15.19 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.889 -1.152 . . . . 50.009999999999998 107.889 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -58.78 -46.88 86.51 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.405 -0.361 . . . . 44.729999999999997 111.141 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.6 t -59.63 -42.15 87.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.86 0.864 . . . . 45.869999999999997 112.286 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.12 69.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.091 -0.381 . . . . 47.619999999999997 111.857 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -32.29 22.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.162 0.801 . . . . 56.869999999999997 113.162 -179.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' IYR . . . . . 0.987 ' IE ' ' CD2' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.276 12.7 pt-20 -69.76 -28.73 1.52 Allowed Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 118.433 2.753 . . . . 49.18 118.433 -169.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -53.17 -50.46 13.92 Favored 'Trans proline' 0 C--N 1.354 0.824 0 N-CA-C 114.606 0.964 . . . . 45.729999999999997 114.606 164.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.27 -34.08 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 112.101 0.408 . . . . 45.420000000000002 112.101 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.6 mt -53.95 -55.81 23.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.926 -0.71 . . . . 45.149999999999999 109.943 172.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.7 mt -57.93 -46.72 87.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.769 0.655 . . . . 47.380000000000003 112.769 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -54.63 -38.51 66.93 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.003 -0.544 . . . . 52.219999999999999 110.996 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 tt -89.93 -37.14 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 115.65 1.722 . . . . 49.670000000000002 115.65 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 mt -70.86 -9.92 58.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.771 0.656 . . . . 49.039999999999999 112.771 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -74.15 -23.71 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.037 0.211 . . . . 51.130000000000003 111.205 169.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.11 -61.28 1.74 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.725 0.641 . . . . 58.119999999999997 112.231 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p -137.0 147.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.489 -0.323 . . . . 51.119999999999997 111.251 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.93 7.29 10.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.748 1.018 . . . . 50.609999999999999 113.748 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.49 115.0 12.57 Favored Pre-proline 0 C--O 1.223 -0.34 0 N-CA-C 108.043 -1.095 . . . . 54.289999999999999 108.043 175.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.55 -42.28 21.89 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 122.678 2.252 . . . . 48.07 112.061 -172.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 t -56.63 -46.62 80.86 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.321 -0.854 . . . . 49.420000000000002 109.699 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -77.69 -38.12 48.11 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.785 1.402 . . . . 46.619999999999997 114.785 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.8 t -60.86 -43.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.956 -0.465 . . . . 45.939999999999998 110.938 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.24 -33.31 75.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.947 0.721 . . . . 47.200000000000003 112.947 178.207 -59.731 -75.484 -93.708 103.134 2.015 105.001 -91.43 -178.841 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.71 -58.71 6.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.233 -0.439 . . . . 46.18 110.694 173.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -56.48 -35.17 67.64 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.646 1.35 . . . . 50.770000000000003 114.646 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.7 pt -82.54 -15.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.469 0.544 . . . . 46.880000000000003 112.469 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.27 2.66 47.96 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 114.998 0.759 . . . . 49.009999999999998 114.998 171.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 -35.63 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.711 -0.396 . . . . 50.710000000000001 111.181 -172.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.0 m -107.96 99.31 29.98 Favored Pre-proline 0 N--CA 1.462 0.169 0 O-C-N 124.072 0.857 . . . . 53.619999999999997 109.908 179.335 -65.295 -74.584 92.779 105.459 2.053 106.039 62.477 178.164 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo . . . . . 0 N--CA 1.447 -1.249 0 O-C-N 122.479 0.726 . . . . 55.479999999999997 110.54 -178.204 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.9 0 N-CA-C 113.015 0.746 . . . . 57.26 113.015 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.01 61.25 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.91 1.124 . . . . 56.54 115.91 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 0.987 ' CD2' ' IE ' ' A' ' 54' ' ' IYR . 41.7 m-85 -104.28 10.71 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.189 0.441 . . . . 53.94 112.189 173.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.37 -49.43 75.57 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.249 1.574 . . . . 53.26 115.249 -174.676 178.164 62.477 92.779 106.039 2.053 105.459 -74.584 -65.295 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -37.36 83.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 118.511 -1.276 . . . . 60.34 113.136 -176.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.78 -29.25 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.766 0.317 . . . . 50.85 111.351 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -62.47 1.69 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.896 -0.779 . . . . 48.44 108.896 173.833 -178.841 -91.43 -93.708 105.001 2.015 103.134 -75.484 -59.731 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -47.39 -38.95 14.18 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.062 -0.718 . . . . 49.96 109.062 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -69.62 -47.74 62.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.271 0.841 . . . . 49.92 113.271 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD13 ' SG ' ' A' ' 47' ' ' CYS . 9.7 tp -68.07 -43.24 79.05 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.249 0.343 . . . . 47.66 111.872 -179.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 40.3 t -69.67 -30.17 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.212 -0.662 . . . . 47.8 109.212 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.82 -47.56 87.93 Favored Glycine 0 C--O 1.22 -0.721 0 CA-C-N 116.343 -0.39 . . . . 48.67 112.623 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -36.69 80.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.54 0.57 . . . . 50.68 112.54 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' VAL . 19.3 mt -59.67 -62.23 2.03 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.274 -0.639 . . . . 49.83 109.274 177.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -38.78 -43.52 0.93 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.866 1.266 . . . . 52.43 112.95 172.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -80.62 -20.36 43.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.318 1.047 . . . . 58.39 112.448 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -124.05 2.16 8.62 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.116 1.524 . . . . 56.94 115.116 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -126.55 142.0 51.68 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.724 -1.213 . . . . 57.27 107.724 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.93 145.53 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.452 -0.499 . . . . 66.07 110.869 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mmtm -62.35 8.29 0.05 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.422 1.638 . . . . 63.73 115.422 -170.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -127.79 13.7 6.9 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.206 1.187 . . . . 64.87 114.206 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 m -55.72 150.66 12.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.973 -0.558 . . . . 59.26 111.285 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.6 p -83.57 155.75 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 57.04 110.56 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD2' HG11 ' A' ' 63' ' ' VAL . 8.9 mptt -36.73 -42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.377 0.88 . . . . 61.65 113.377 171.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.69 -24.87 61.9 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.403 0.89 . . . . 60.93 113.403 -176.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -87.73 -28.58 21.66 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.84 0.311 . . . . 57.56 111.84 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 mt -73.55 -36.29 47.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 123.092 0.245 . . . . 51.98 110.613 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 2.6 tp -58.22 -60.78 3.23 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.81 0.338 . . . . 49.75 110.809 173.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.81 -50.43 34.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 49.04 111.068 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.19 -50.71 73.0 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.895 -0.322 . . . . 47.84 111.774 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.36 -40.81 71.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.309 0.855 . . . . 47.24 113.309 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 29' ' ' LEU . 7.9 mt-10 -80.85 0.45 34.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 51.45 111.409 -176.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.11 -15.59 8.69 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.467 -0.333 . . . . 57.72 111.107 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.09 69.07 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 118.678 2.231 . . . . 49.12 118.678 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.78 -30.75 62.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.764 1.024 . . . . 50.25 113.764 -175.96 -66.433 -56.45 -74.607 103.825 2.03 102.417 -81.408 175.355 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.75 -3.69 23.39 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.928 0.344 . . . . 50.42 111.928 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.49 -9.46 20.2 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 112.691 0.626 . . . . 52.7 112.691 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.01 155.26 64.28 Favored Pre-proline 0 N--CA 1.437 -1.087 0 N-CA-C 105.74 -1.948 . . . . 50.07 105.74 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.41 151.91 2.71 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 O-C-N 122.791 0.89 . . . . 51.29 111.596 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -41.93 -50.11 10.63 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 115.882 1.808 . . . . 57.5 115.882 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.99 -29.53 54.92 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.485 2.123 . . . . 51.51 115.554 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -92.05 -12.78 32.2 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 115.421 1.637 . . . . 50.34 115.421 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -52.9 -61.64 2.16 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 118.128 -1.429 . . . . 55.19 112.583 -168.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.01 -32.4 72.88 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.882 1.438 . . . . 51.98 114.882 -174.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.52 -41.77 83.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.396 -0.365 . . . . 46.39 110.889 172.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 11' ' ' LEU . 39.7 t -61.95 -54.34 43.16 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.982 -0.554 . . . . 47.83 111.918 -177.902 175.355 -81.408 -74.607 102.417 2.03 103.825 -56.45 -66.433 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -74.67 -4.51 37.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.283 -1.367 . . . . 53.35 112.893 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -85.23 -41.88 15.19 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.889 -1.152 . . . . 50.01 107.889 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -58.78 -46.88 86.51 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.405 -0.361 . . . . 44.73 111.141 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.6 t -59.63 -42.15 87.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.86 0.864 . . . . 45.87 112.286 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.12 69.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.091 -0.381 . . . . 47.62 111.857 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -32.29 22.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.162 0.801 . . . . 56.87 113.162 -179.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' IYR . . . . . 0.987 ' IE ' ' CD2' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' LEU 0.276 12.7 pt-20 -69.76 -28.73 1.52 Allowed Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 118.433 2.753 . . . . 49.18 118.433 -169.83 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -53.17 -50.46 13.92 Favored 'Trans proline' 0 C--N 1.354 0.824 0 N-CA-C 114.606 0.964 . . . . 45.73 114.606 164.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.27 -34.08 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 112.101 0.408 . . . . 45.42 112.101 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 55' ' ' GLU . 24.6 mt -53.95 -55.81 23.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.926 -0.71 . . . . 45.15 109.943 172.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.7 mt -57.93 -46.72 87.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.769 0.655 . . . . 47.38 112.769 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -54.63 -38.51 66.93 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.003 -0.544 . . . . 52.22 110.996 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 tt -89.93 -37.14 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 115.65 1.722 . . . . 49.67 115.65 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 mt -70.86 -9.92 58.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.771 0.656 . . . . 49.04 112.771 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG11 ' HD2' ' A' ' 25' ' ' LYS . 2.6 m -74.15 -23.71 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.037 0.211 . . . . 51.13 111.205 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.11 -61.28 1.74 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.725 0.641 . . . . 58.12 112.231 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 2.2 p -137.0 147.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.489 -0.323 . . . . 51.12 111.251 -172.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.93 7.29 10.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.748 1.018 . . . . 50.61 113.748 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.49 115.0 12.57 Favored Pre-proline 0 C--O 1.223 -0.34 0 N-CA-C 108.043 -1.095 . . . . 54.29 108.043 175.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.55 -42.28 21.89 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 122.678 2.252 . . . . 48.07 112.061 -172.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 t -56.63 -46.62 80.86 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.321 -0.854 . . . . 49.42 109.699 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -77.69 -38.12 48.11 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.785 1.402 . . . . 46.62 114.785 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.8 t -60.86 -43.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.956 -0.465 . . . . 45.94 110.938 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.24 -33.31 75.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.947 0.721 . . . . 47.2 112.947 178.207 -59.731 -75.484 -93.708 103.134 2.015 105.001 -91.43 -178.841 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.71 -58.71 6.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.233 -0.439 . . . . 46.18 110.694 173.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -56.48 -35.17 67.64 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.646 1.35 . . . . 50.77 114.646 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.7 pt -82.54 -15.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.469 0.544 . . . . 46.88 112.469 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.27 2.66 47.96 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 114.998 0.759 . . . . 49.01 114.998 171.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 -35.63 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.711 -0.396 . . . . 50.71 111.181 -172.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.0 m -107.96 99.31 29.98 Favored Pre-proline 0 N--CA 1.462 0.169 0 O-C-N 124.072 0.857 . . . . 53.62 109.908 179.335 -65.295 -74.584 92.779 105.459 2.053 106.039 62.477 178.164 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo . . . . . 0 N--CA 1.447 -1.249 0 O-C-N 122.479 0.726 . . . . 55.48 110.54 -178.204 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.9 0 N-CA-C 113.015 0.746 . . . . 57.259999999999998 113.015 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.01 61.25 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.91 1.124 . . . . 56.539999999999999 115.91 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.987 ' CD2' ' IE ' ' A' ' 54' ' ' IYR . 41.7 m-85 -104.28 10.71 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.189 0.441 . . . . 53.939999999999998 112.189 173.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.37 -49.43 75.57 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.249 1.574 . . . . 53.259999999999998 115.249 -174.676 178.164 62.477 92.779 106.039 2.053 105.459 -74.584 -65.295 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -37.36 83.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 118.511 -1.276 . . . . 60.340000000000003 113.136 -176.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.78 -29.25 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.766 0.317 . . . . 50.850000000000001 111.351 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -62.47 1.69 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.896 -0.779 . . . . 48.439999999999998 108.896 173.833 -178.841 -91.43 -93.708 105.001 2.015 103.134 -75.484 -59.731 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -47.39 -38.95 14.18 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.062 -0.718 . . . . 49.960000000000001 109.062 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -69.62 -47.74 62.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.271 0.841 . . . . 49.920000000000002 113.271 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD13 ' SG ' ' A' ' 47' ' ' CYS . 9.7 tp -68.07 -43.24 79.05 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.249 0.343 . . . . 47.659999999999997 111.872 -179.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 40.3 t -69.67 -30.17 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.212 -0.662 . . . . 47.799999999999997 109.212 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.82 -47.56 87.93 Favored Glycine 0 C--O 1.22 -0.721 0 CA-C-N 116.343 -0.39 . . . . 48.670000000000002 112.623 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -36.69 80.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.54 0.57 . . . . 50.68 112.54 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' VAL . 19.3 mt -59.67 -62.23 2.03 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.274 -0.639 . . . . 49.829999999999998 109.274 177.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -38.78 -43.52 0.93 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.866 1.266 . . . . 52.43 112.95 172.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -80.62 -20.36 43.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.318 1.047 . . . . 58.390000000000001 112.448 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.05 2.16 8.62 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.116 1.524 . . . . 56.939999999999998 115.116 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -126.55 142.0 51.68 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.724 -1.213 . . . . 57.270000000000003 107.724 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.93 145.53 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.452 -0.499 . . . . 66.069999999999993 110.869 176.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mmtm -62.35 8.29 0.05 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.422 1.638 . . . . 63.729999999999997 115.422 -170.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -127.79 13.7 6.9 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.206 1.187 . . . . 64.870000000000005 114.206 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 m -55.72 150.66 12.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.973 -0.558 . . . . 59.259999999999998 111.285 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.6 p -83.57 155.75 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 57.039999999999999 110.56 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD2' HG11 ' A' ' 63' ' ' VAL . 8.9 mptt -36.73 -42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.377 0.88 . . . . 61.649999999999999 113.377 171.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.69 -24.87 61.9 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.403 0.89 . . . . 60.93 113.403 -176.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -87.73 -28.58 21.66 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.84 0.311 . . . . 57.560000000000002 111.84 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 mt -73.55 -36.29 47.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 123.092 0.245 . . . . 51.979999999999997 110.613 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 2.6 tp -58.22 -60.78 3.23 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.81 0.338 . . . . 49.75 110.809 173.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.81 -50.43 34.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 49.039999999999999 111.068 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.19 -50.71 73.0 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.895 -0.322 . . . . 47.840000000000003 111.774 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.36 -40.81 71.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.309 0.855 . . . . 47.240000000000002 113.309 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 29' ' ' LEU . 7.9 mt-10 -80.85 0.45 34.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 51.450000000000003 111.409 -176.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.11 -15.59 8.69 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.467 -0.333 . . . . 57.719999999999999 111.107 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.09 69.07 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 118.678 2.231 . . . . 49.119999999999997 118.678 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.78 -30.75 62.94 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.764 1.024 . . . . 50.25 113.764 -175.96 -66.433 -56.45 -74.607 103.825 2.03 102.417 -81.408 175.355 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.75 -3.69 23.39 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.928 0.344 . . . . 50.420000000000002 111.928 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.49 -9.46 20.2 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 112.691 0.626 . . . . 52.700000000000003 112.691 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp -84.01 155.26 64.28 Favored Pre-proline 0 N--CA 1.437 -1.087 0 N-CA-C 105.74 -1.948 . . . . 50.07 105.74 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.41 151.91 2.71 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 O-C-N 122.791 0.89 . . . . 51.289999999999999 111.596 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -41.93 -50.11 10.63 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 115.882 1.808 . . . . 57.5 115.882 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.99 -29.53 54.92 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.485 2.123 . . . . 51.509999999999998 115.554 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -92.05 -12.78 32.2 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 115.421 1.637 . . . . 50.340000000000003 115.421 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -52.9 -61.64 2.16 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 118.128 -1.429 . . . . 55.189999999999998 112.583 -168.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -62.01 -32.4 72.88 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 114.882 1.438 . . . . 51.979999999999997 114.882 -174.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.52 -41.77 83.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.396 -0.365 . . . . 46.390000000000001 110.889 172.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' SG ' HD13 ' A' ' 11' ' ' LEU . 39.7 t -61.95 -54.34 43.16 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.982 -0.554 . . . . 47.829999999999998 111.918 -177.902 175.355 -81.408 -74.607 102.417 2.03 103.825 -56.45 -66.433 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -74.67 -4.51 37.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.283 -1.367 . . . . 53.350000000000001 112.893 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -85.23 -41.88 15.19 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.889 -1.152 . . . . 50.009999999999998 107.889 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -58.78 -46.88 86.51 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.405 -0.361 . . . . 44.729999999999997 111.141 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.6 t -59.63 -42.15 87.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.86 0.864 . . . . 45.869999999999997 112.286 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.03 -29.12 69.42 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.091 -0.381 . . . . 47.619999999999997 111.857 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -32.29 22.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.162 0.801 . . . . 56.869999999999997 113.162 -179.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' IYR . . . . . 0.987 ' IE ' ' CD2' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' LEU 0.276 12.7 pt-20 -69.76 -28.73 1.52 Allowed Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 118.433 2.753 . . . . 49.18 118.433 -169.83 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -53.17 -50.46 13.92 Favored 'Trans proline' 0 C--N 1.354 0.824 0 N-CA-C 114.606 0.964 . . . . 45.729999999999997 114.606 164.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.27 -34.08 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 112.101 0.408 . . . . 45.420000000000002 112.101 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 55' ' ' GLU . 24.6 mt -53.95 -55.81 23.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.926 -0.71 . . . . 45.149999999999999 109.943 172.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.7 mt -57.93 -46.72 87.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.769 0.655 . . . . 47.380000000000003 112.769 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -54.63 -38.51 66.93 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.003 -0.544 . . . . 52.219999999999999 110.996 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 tt -89.93 -37.14 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 115.65 1.722 . . . . 49.670000000000002 115.65 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 mt -70.86 -9.92 58.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.771 0.656 . . . . 49.039999999999999 112.771 -172.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG11 ' HD2' ' A' ' 25' ' ' LYS . 2.6 m -74.15 -23.71 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.037 0.211 . . . . 51.130000000000003 111.205 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.11 -61.28 1.74 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.725 0.641 . . . . 58.119999999999997 112.231 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 2.2 p -137.0 147.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.489 -0.323 . . . . 51.119999999999997 111.251 -172.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.2 mtt -120.93 7.29 10.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.748 1.018 . . . . 50.609999999999999 113.748 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.49 115.0 12.57 Favored Pre-proline 0 C--O 1.223 -0.34 0 N-CA-C 108.043 -1.095 . . . . 54.289999999999999 108.043 175.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.55 -42.28 21.89 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 122.678 2.252 . . . . 48.07 112.061 -172.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 t -56.63 -46.62 80.86 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.321 -0.854 . . . . 49.420000000000002 109.699 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -77.69 -38.12 48.11 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.785 1.402 . . . . 46.619999999999997 114.785 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.8 t -60.86 -43.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.956 -0.465 . . . . 45.939999999999998 110.938 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.9 m -65.24 -33.31 75.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.947 0.721 . . . . 47.200000000000003 112.947 178.207 -59.731 -75.484 -93.708 103.134 2.015 105.001 -91.43 -178.841 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.71 -58.71 6.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.233 -0.439 . . . . 46.18 110.694 173.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -56.48 -35.17 67.64 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.646 1.35 . . . . 50.770000000000003 114.646 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.7 pt -82.54 -15.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.469 0.544 . . . . 46.880000000000003 112.469 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.27 2.66 47.96 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 114.998 0.759 . . . . 49.009999999999998 114.998 171.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 -35.63 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.711 -0.396 . . . . 50.710000000000001 111.181 -172.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.0 m -107.96 99.31 29.98 Favored Pre-proline 0 N--CA 1.462 0.169 0 O-C-N 124.072 0.857 . . . . 53.619999999999997 109.908 179.335 -65.295 -74.584 92.779 105.459 2.053 106.039 62.477 178.164 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo . . . . . 0 N--CA 1.447 -1.249 0 O-C-N 122.479 0.726 . . . . 55.479999999999997 110.54 -178.204 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_