data_3pgg_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 3pgg _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 ' 25' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 120.671 0.272 . . . . 71.739999999999995 110.919 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -77.46 126.32 37.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-N 116.024 -0.535 . . . . 68.530000000000001 109.601 170.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . -110.59 108.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.186 -0.606 . . . . 62.259999999999998 110.417 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.47 132.32 92.83 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 113.232 0.827 . . . . 59.670000000000002 113.232 170.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.49 -44.12 25.98 Favored 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 117.461 -1.226 . . . . 50.890000000000001 113.587 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.54 -30.02 71.2 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.678 0.672 . . . . 58.100000000000001 112.471 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.97 58.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.992 0.425 . . . . 52.68 111.743 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.56 -52.22 64.45 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.234 1.198 . . . . 62.93 114.234 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.01 -49.39 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 119.481 -0.888 . . . . 50.380000000000003 111.197 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.89 -46.61 42.93 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.533 -0.467 . . . . 63.75 112.069 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -55.22 -23.77 24.05 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.825 1.787 . . . . 53.060000000000002 115.825 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.5 m -85.74 -6.23 59.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.016 0.746 . . . . 53.579999999999998 113.016 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -55.63 122.3 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 O-C-N 121.604 -0.685 . . . . 55.340000000000003 112.163 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 1.16 85.42 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 114.535 0.574 . . . . 50.82 114.535 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -113.95 164.0 14.37 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-O 121.811 0.815 . . . . 56.920000000000002 111.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' NH2' ' OG ' ' A' ' 52' ' ' SER . 32.9 ttm-85 -74.61 132.76 42.02 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.894 -1.048 . . . . 49.43 108.966 176.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 pt -128.38 169.56 19.56 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 119.595 -0.842 . . . . 48.579999999999998 110.434 169.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -118.65 126.04 51.07 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.964 0.79 . . . . 60.229999999999997 110.727 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.38 119.04 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.212 -1.033 . . . . 46.479999999999997 108.212 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.08 112.0 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.87 -0.789 . . . . 56.770000000000003 108.87 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.7 mmm -85.78 167.75 14.94 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 107.652 -1.24 . . . . 55.439999999999998 107.652 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.54 139.58 58.23 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.994 -0.282 . . . . 67.150000000000006 110.677 162.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.57 19.46 29.7 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 120.779 -0.724 . . . . 67.200000000000003 114.105 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 58.73 33.37 23.02 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 116.181 1.919 . . . . 75.450000000000003 116.181 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -99.54 137.39 38.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.592 -0.443 . . . . 60.789999999999999 110.317 160.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.75 144.26 47.6 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.587 -0.894 . . . . 65.579999999999998 108.587 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.91 121.6 16.37 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.566 -1.272 . . . . 49.32 107.566 -166.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . 0.421 ' OG ' ' NH2' ' A' ' 40' ' ' ARG . 12.0 t -97.2 129.86 44.5 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.653 -0.499 . . . . 45.329999999999998 109.653 164.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.82 167.2 40.37 Favored Glycine 0 C--O 1.203 -1.836 0 C-N-CA 117.894 -2.098 . . . . 43.409999999999997 111.461 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.15 121.06 41.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-O 121.74 0.781 . . . . 45.329999999999998 109.97 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.52 127.28 32.75 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.127 -1.029 . . . . 39.289999999999999 109.957 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -107.21 -29.66 9.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 123.829 0.705 . . . . 44.950000000000003 111.132 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.01 169.7 39.95 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.22 -0.752 . . . . 38.539999999999999 111.22 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -164.64 169.44 16.95 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 122.216 -0.579 . . . . 52.009999999999998 110.136 -174.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.31 175.81 9.24 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.118 -0.946 . . . . 53.189999999999998 111.488 174.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -17.0 62.27 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 122.122 -0.361 . . . . 68.870000000000005 111.707 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -82.21 1.49 36.25 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 114.027 1.121 . . . . 78.140000000000001 114.027 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.2 t 57.75 26.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 CA-C-N 116.071 -0.513 . . . . 48.219999999999999 111.816 -169.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.51 134.82 56.94 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.02 -1.844 . . . . 46.340000000000003 106.02 155.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.2 mtm -135.76 150.26 49.43 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.873 1.064 . . . . 48.539999999999999 113.873 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.23 120.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 107.147 -1.427 . . . . 39.140000000000001 107.147 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -119.38 147.22 44.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 108.551 -0.907 . . . . 50.43 108.551 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -119.77 166.17 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 105.945 -1.872 . . . . 56.200000000000003 105.945 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.67 59.17 4.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 113.964 -1.471 . . . . 49.109999999999999 107.528 166.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.59 134.91 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.667 -1.151 . . . . 40.840000000000003 110.193 -163.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -111.65 121.84 46.21 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 120.636 -0.425 . . . . 47.869999999999997 109.943 162.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.1 116.44 27.37 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 123.927 0.767 . . . . 64.340000000000003 110.277 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -93.71 160.67 14.66 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 114.552 1.315 . . . . 59.829999999999998 114.552 166.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.15 174.75 37.78 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 106.936 -2.466 . . . . 66.909999999999997 106.936 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -126.09 126.22 43.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.449 -0.901 . . . . 77.379999999999995 112.191 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -138.51 134.4 33.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.457 -0.792 . . . . 74.980000000000004 109.082 -163.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 77' ' ' ASP . . . -59.13 -31.94 69.4 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.05 1.13 . . . . 79.329999999999998 114.05 -164.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.781 0.659 . . . . 81.620000000000005 112.781 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.678 0 CA-C-O 120.797 0.332 . . . . 76.730000000000004 111.44 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . . . -80.74 111.58 17.31 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.407 -0.36 . . . . 73.579999999999998 110.63 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . . . -109.9 130.99 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 112.096 0.406 . . . . 67.579999999999998 112.096 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 ttm -55.29 113.58 1.45 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.04 0.448 . . . . 67.569999999999993 110.865 161.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 m -108.78 -4.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 116.221 -0.445 . . . . 63.219999999999999 111.155 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -170.17 158.51 6.92 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.461 1.652 . . . . 63.210000000000001 115.461 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -122.84 134.69 54.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 106.443 -1.688 . . . . 54.649999999999999 106.443 170.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.66 161.07 38.06 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.501 -1.28 . . . . 51.549999999999997 110.803 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -102.56 -125.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.247 -1.39 . . . . 52.719999999999999 107.247 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.6 m -77.56 114.1 16.06 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 108.242 -1.022 . . . . 53.979999999999997 108.242 -164.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.7 pt -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.551 -0.718 . . . . 52.869999999999997 112.005 173.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.5 tt -106.75 125.26 50.77 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.518 -1.219 . . . . 51.07 111.345 160.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.2 129.22 44.58 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.909 -0.404 . . . . 54.700000000000003 109.909 170.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -74.52 125.05 27.77 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.952 -0.567 . . . . 43.380000000000003 110.699 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.909 -1.139 . . . . 46.259999999999998 113.941 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.1 -16.05 17.32 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 107.545 -1.28 . . . . 68.269999999999996 107.545 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -121.1 8.69 10.4 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 117.963 -1.495 . . . . 59.57 112.191 -166.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.75 141.46 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.659 0.614 . . . . 49.549999999999997 112.659 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.58 -44.56 4.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.791 0.293 . . . . 48.859999999999999 111.791 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' MET . . . . . 0.429 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 17.4 ttp -160.45 157.9 28.45 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.416 -0.587 . . . . 63.719999999999999 109.416 -171.135 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' N ' ' CG ' ' A' ' 108' ' ' MET . 10.3 tt -141.3 124.64 16.57 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 103.529 -2.767 . . . . 58.649999999999999 103.529 -169.752 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.0 t -108.57 110.82 61.46 Favored Pre-proline 0 C--O 1.237 0.415 0 C-N-CA 120.1 -0.64 . . . . 52.880000000000003 111.037 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -62.98 133.45 41.42 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.8 -1.667 . . . . 64.200000000000003 108.35 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.49 64.62 1.76 Allowed Glycine 0 C--O 1.241 0.584 0 N-CA-C 111.439 -0.664 . . . . 74.689999999999998 111.439 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.585 0 N-CA-C 110.959 -0.856 . . . . 79.560000000000002 110.959 171.879 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 112.376 -0.29 . . . . 63.439999999999998 112.376 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.44 166.27 1.72 Allowed Glycine 0 N--CA 1.471 0.976 0 N-CA-C 114.564 0.586 . . . . 58.740000000000002 114.564 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.67 131.28 44.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.733 -0.469 . . . . 46.5 109.733 162.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.06 127.71 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 108.112 -1.069 . . . . 59.710000000000001 108.112 173.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.1 mt -110.85 104.12 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.07 -0.715 . . . . 45.109999999999999 109.07 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.0 mt -70.59 151.38 95.47 Favored Pre-proline 0 C--O 1.261 1.664 0 N-CA-C 108.994 -0.743 . . . . 51.18 108.994 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -58.54 -44.96 33.01 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 O-C-N 123.882 1.464 . . . . 44.32 113.414 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.97 -29.96 63.46 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 119.358 -0.937 . . . . 47.299999999999997 111.315 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.84 90.78 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.572 0.953 . . . . 47.140000000000001 113.572 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.31 -48.29 79.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.375 -0.828 . . . . 46.0 110.873 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.45 -44.43 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.582 0.706 . . . . 43.100000000000001 109.58 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.4 -45.81 55.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 66.620000000000005 112.584 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -61.28 -17.09 51.82 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 114.586 1.328 . . . . 53.140000000000001 114.586 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.65 -15.5 51.84 Favored 'General case' 0 C--O 1.204 -1.308 0 N-CA-C 115.262 1.578 . . . . 53.539999999999999 115.262 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.19 133.54 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 122.247 -0.283 . . . . 55.439999999999998 111.309 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 -15.07 56.61 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 116.433 -0.349 . . . . 54.490000000000002 113.315 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' B' ' 125' ' ' HOH . 76.3 m-20 -102.81 153.05 20.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 122.226 -0.573 . . . . 59.57 110.69 -174.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -75.19 120.72 21.07 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.427 -0.583 . . . . 77.530000000000001 109.427 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 pt -114.69 168.59 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 120.019 -0.672 . . . . 47.409999999999997 110.418 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -120.6 126.94 51.55 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.907 -0.775 . . . . 51.670000000000002 108.907 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.28 122.66 69.66 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 N-CA-C 108.743 -0.836 . . . . 48.920000000000002 108.743 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.16 119.84 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 C-N-CA 120.669 -0.412 . . . . 46.310000000000002 110.722 170.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 94.0 mmm -98.44 154.47 17.84 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 106.157 -1.794 . . . . 50.600000000000001 106.157 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -57.21 138.93 54.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 119.524 -0.87 . . . . 61.909999999999997 111.167 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.28 30.33 7.43 Favored Glycine 0 CA--C 1.506 -0.499 0 N-CA-C 108.874 -1.69 . . . . 65.700000000000003 108.874 167.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 64.02 36.05 10.19 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.745 1.017 . . . . 74.329999999999998 113.745 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -121.1 136.82 54.9 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 120.977 -0.289 . . . . 54.649999999999999 110.728 171.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -135.05 142.22 46.29 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.649 -0.421 . . . . 58.530000000000001 109.9 -172.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -130.32 146.67 51.94 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 113.593 0.96 . . . . 46.509999999999998 113.593 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.5 t -120.95 129.06 53.29 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 103.913 -2.625 . . . . 47.299999999999997 103.913 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.22 162.42 35.71 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 108.557 -1.817 . . . . 47.369999999999997 108.557 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.93 133.2 33.39 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.429 0 C-N-CA 119.924 -0.71 . . . . 45.950000000000003 109.18 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 tp -88.78 130.22 35.41 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 108.719 -0.845 . . . . 48.689999999999998 108.719 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -113.42 -21.64 10.77 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.867 0.729 . . . . 62.479999999999997 112.735 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.25 166.92 38.71 Favored Glycine 0 N--CA 1.469 0.868 0 C-N-CA 120.543 -0.837 . . . . 47.700000000000003 111.99 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -161.6 161.89 29.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 106.229 -1.767 . . . . 53.740000000000002 106.229 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -127.56 -171.71 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 118.63 -1.228 . . . . 58.909999999999997 113.077 168.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.79 -21.72 66.56 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.513 -0.767 . . . . 70.519999999999996 111.459 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -85.69 1.57 48.84 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.769 -0.373 . . . . 69.599999999999994 111.315 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.8 t 63.96 21.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 119.768 -0.773 . . . . 41.799999999999997 113.037 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.53 140.74 58.05 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.806 -0.758 . . . . 41.829999999999998 110.088 153.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -135.06 148.66 49.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.925 0.713 . . . . 46.909999999999997 112.925 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.26 119.5 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 107.416 -1.327 . . . . 43.310000000000002 107.416 170.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -110.31 136.62 49.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 48.479999999999997 110.57 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -101.34 162.45 12.89 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.226 0.824 . . . . 61.119999999999997 113.226 161.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 60.57 56.61 3.01 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 115.134 -0.939 . . . . 72.349999999999994 110.692 165.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.6 142.45 15.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 107.278 -1.379 . . . . 54.289999999999999 107.278 -156.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.49 124.68 48.17 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 116.249 -0.432 . . . . 60.229999999999997 110.884 158.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -96.02 131.32 42.54 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.156 -0.929 . . . . 70.209999999999994 108.737 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.81 138.23 51.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.739 -0.837 . . . . 62.789999999999999 108.739 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.68 -161.14 11.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 121.22 0.345 . . . . 64.890000000000001 113.091 166.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -135.23 101.36 4.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 82.840000000000003 109.256 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . . . -114.4 162.94 16.0 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.389 -0.368 . . . . 75.280000000000001 110.892 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 75.269999999999996 110.807 179.718 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 N-CA-C 110.143 -0.317 . . . . 77.060000000000002 110.143 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . . . -66.6 114.14 5.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.062 -0.517 . . . . 74.930000000000007 111.342 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.51 136.79 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.979 -1.119 . . . . 75.629999999999995 107.979 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 28.0 ttm -67.98 130.55 43.29 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.835 -0.346 . . . . 72.109999999999999 111.06 165.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 35.7 m -117.0 -13.47 10.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 113.708 1.003 . . . . 70.079999999999998 113.708 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -166.14 149.7 7.56 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 114.326 1.232 . . . . 73.129999999999995 114.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -111.47 146.7 36.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.371 -0.832 . . . . 60.259999999999998 109.381 161.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -145.06 154.37 42.43 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 108.907 -0.775 . . . . 56.979999999999997 108.907 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . . . -73.04 -51.11 19.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.811 0.671 . . . . 57.140000000000001 112.811 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 75.6 m -150.08 133.42 16.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.907 0.883 . . . . 58.039999999999999 109.459 -171.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 40.5 pt -134.31 162.31 39.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.271 0.557 . . . . 55.859999999999999 111.375 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 tt -112.67 132.35 55.22 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.478 -1.675 . . . . 48.950000000000003 106.478 163.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 65.4 mt -104.77 135.38 46.26 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 116.26 -0.427 . . . . 51.579999999999998 110.393 171.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t -83.44 132.22 34.98 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.635 -1.246 . . . . 47.219999999999999 107.635 -174.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.25 -18.65 76.86 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 123.561 0.538 . . . . 46.369999999999997 111.9 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.69 -12.21 60.93 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.475 0.178 . . . . 56.549999999999997 110.604 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -115.96 3.69 13.7 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 113.731 1.011 . . . . 52.020000000000003 113.731 -176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -78.01 134.28 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 112.641 0.608 . . . . 43.789999999999999 112.641 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.76 -44.92 7.21 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 111.896 0.332 . . . . 44.850000000000001 111.896 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 30.6 ttp -159.36 144.24 15.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.369 -0.604 . . . . 59.829999999999998 109.369 -168.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 tt -122.74 141.6 51.62 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.471 -1.307 . . . . 54.520000000000003 107.471 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 10.3 t -124.87 99.67 34.8 Favored Pre-proline 0 C--O 1.248 0.996 0 C-N-CA 124.047 0.939 . . . . 44.259999999999998 109.584 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 136.39 75.27 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.35 2.034 . . . . 52.409999999999997 109.164 172.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.38 -24.86 23.43 Favored Glycine 0 N--CA 1.464 0.544 0 C-N-CA 119.636 -1.269 . . . . 66.579999999999998 113.508 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.27 35.03 7.19 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 116.853 1.501 . . . . 65.549999999999997 116.853 150.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 N-CA-C 113.817 1.043 . . . . 71.189999999999998 113.817 164.226 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . 0.427 ' O ' ' ND2' ' B' ' 39' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 120.671 0.272 . . . . 71.74 110.919 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -77.46 126.32 37.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-N 116.024 -0.535 . . . . 68.53 109.601 170.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' O ' ' HA3' ' B' ' 57' ' ' GLY . . . -110.59 108.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.186 -0.606 . . . . 62.26 110.417 179.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.47 132.32 92.83 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 113.232 0.827 . . . . 59.67 113.232 170.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.49 -44.12 25.98 Favored 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 117.461 -1.226 . . . . 50.89 113.587 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.54 -30.02 71.2 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.678 0.672 . . . . 58.1 112.471 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.97 58.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.992 0.425 . . . . 52.68 111.743 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.56 -52.22 64.45 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.234 1.198 . . . . 62.93 114.234 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.01 -49.39 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 119.481 -0.888 . . . . 50.38 111.197 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.89 -46.61 42.93 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.533 -0.467 . . . . 63.75 112.069 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -55.22 -23.77 24.05 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.825 1.787 . . . . 53.06 115.825 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.5 m -85.74 -6.23 59.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.016 0.746 . . . . 53.58 113.016 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -55.63 122.3 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 O-C-N 121.604 -0.685 . . . . 55.34 112.163 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 1.16 85.42 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 114.535 0.574 . . . . 50.82 114.535 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -113.95 164.0 14.37 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-O 121.811 0.815 . . . . 56.92 111.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -74.61 132.76 42.02 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.894 -1.048 . . . . 49.43 108.966 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 pt -128.38 169.56 19.56 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 119.595 -0.842 . . . . 48.58 110.434 169.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -118.65 126.04 51.07 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.964 0.79 . . . . 60.23 110.727 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.38 119.04 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.212 -1.033 . . . . 46.48 108.212 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.08 112.0 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.87 -0.789 . . . . 56.77 108.87 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.7 mmm -85.78 167.75 14.94 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 107.652 -1.24 . . . . 55.44 107.652 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.54 139.58 58.23 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.994 -0.282 . . . . 67.15 110.677 162.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.57 19.46 29.7 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 120.779 -0.724 . . . . 67.2 114.105 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 58.73 33.37 23.02 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 116.181 1.919 . . . . 75.45 116.181 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -99.54 137.39 38.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.592 -0.443 . . . . 60.79 110.317 160.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.75 144.26 47.6 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.587 -0.894 . . . . 65.58 108.587 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.91 121.6 16.37 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.566 -1.272 . . . . 49.32 107.566 -166.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -97.2 129.86 44.5 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.653 -0.499 . . . . 45.33 109.653 164.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.82 167.2 40.37 Favored Glycine 0 C--O 1.203 -1.836 0 C-N-CA 117.894 -2.098 . . . . 43.41 111.461 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.15 121.06 41.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-O 121.74 0.781 . . . . 45.33 109.97 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.52 127.28 32.75 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.127 -1.029 . . . . 39.29 109.957 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -107.21 -29.66 9.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 123.829 0.705 . . . . 44.95 111.132 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.01 169.7 39.95 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.22 -0.752 . . . . 38.54 111.22 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -164.64 169.44 16.95 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 122.216 -0.579 . . . . 52.01 110.136 -174.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.31 175.81 9.24 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.118 -0.946 . . . . 53.19 111.488 174.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -17.0 62.27 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 122.122 -0.361 . . . . 68.87 111.707 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -82.21 1.49 36.25 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 114.027 1.121 . . . . 78.14 114.027 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.2 t 57.75 26.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 CA-C-N 116.071 -0.513 . . . . 48.22 111.816 -169.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.51 134.82 56.94 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.02 -1.844 . . . . 46.34 106.02 155.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.2 mtm -135.76 150.26 49.43 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.873 1.064 . . . . 48.54 113.873 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.23 120.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 107.147 -1.427 . . . . 39.14 107.147 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -119.38 147.22 44.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 108.551 -0.907 . . . . 50.43 108.551 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -119.77 166.17 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 105.945 -1.872 . . . . 56.2 105.945 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.67 59.17 4.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 113.964 -1.471 . . . . 49.11 107.528 166.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.59 134.91 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.667 -1.151 . . . . 40.84 110.193 -163.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -111.65 121.84 46.21 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 120.636 -0.425 . . . . 47.87 109.943 162.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.1 116.44 27.37 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 123.927 0.767 . . . . 64.34 110.277 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -93.71 160.67 14.66 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 114.552 1.315 . . . . 59.83 114.552 166.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.15 174.75 37.78 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 106.936 -2.466 . . . . 66.91 106.936 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -126.09 126.22 43.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.449 -0.901 . . . . 77.38 112.191 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -138.51 134.4 33.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.457 -0.792 . . . . 74.98 109.082 -163.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 77' ' ' ASP . . . -59.13 -31.94 69.4 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.05 1.13 . . . . 79.33 114.05 -164.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.781 0.659 . . . . 81.62 112.781 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.678 0 CA-C-O 120.797 0.332 . . . . 76.73 111.44 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . . . -80.74 111.58 17.31 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.407 -0.36 . . . . 73.58 110.63 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . . . -109.9 130.99 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 112.096 0.406 . . . . 67.58 112.096 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 ttm -55.29 113.58 1.45 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.04 0.448 . . . . 67.57 110.865 161.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 m -108.78 -4.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.155 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -170.17 158.51 6.92 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.461 1.652 . . . . 63.21 115.461 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -122.84 134.69 54.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 106.443 -1.688 . . . . 54.65 106.443 170.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.66 161.07 38.06 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.501 -1.28 . . . . 51.55 110.803 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -102.56 -125.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.247 -1.39 . . . . 52.72 107.247 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.6 m -77.56 114.1 16.06 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 108.242 -1.022 . . . . 53.98 108.242 -164.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' CD2' ' A' ' 101' ' ' LEU . 32.7 pt -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.551 -0.718 . . . . 52.87 112.005 173.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 100' ' ' LEU . 10.5 tt -106.75 125.26 50.77 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.518 -1.219 . . . . 51.07 111.345 160.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 99' ' ' ILE . 16.4 mt -97.2 129.22 44.58 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.909 -0.404 . . . . 54.7 109.909 170.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -74.52 125.05 27.77 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.952 -0.567 . . . . 43.38 110.699 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.909 -1.139 . . . . 46.26 113.941 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.1 -16.05 17.32 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 107.545 -1.28 . . . . 68.27 107.545 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -121.1 8.69 10.4 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 117.963 -1.495 . . . . 59.57 112.191 -166.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.75 141.46 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.659 0.614 . . . . 49.55 112.659 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.58 -44.56 4.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.791 0.293 . . . . 48.86 111.791 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' MET . . . . . 0.429 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 17.4 ttp -160.45 157.9 28.45 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.416 -0.587 . . . . 63.72 109.416 -171.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' N ' ' CG ' ' A' ' 108' ' ' MET . 10.3 tt -141.3 124.64 16.57 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 103.529 -2.767 . . . . 58.65 103.529 -169.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.0 t -108.57 110.82 61.46 Favored Pre-proline 0 C--O 1.237 0.415 0 C-N-CA 120.1 -0.64 . . . . 52.88 111.037 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -62.98 133.45 41.42 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.8 -1.667 . . . . 64.2 108.35 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.49 64.62 1.76 Allowed Glycine 0 C--O 1.241 0.584 0 N-CA-C 111.439 -0.664 . . . . 74.69 111.439 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.585 0 N-CA-C 110.959 -0.856 . . . . 79.56 110.959 171.879 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 112.376 -0.29 . . . . 63.44 112.376 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.44 166.27 1.72 Allowed Glycine 0 N--CA 1.471 0.976 0 N-CA-C 114.564 0.586 . . . . 58.74 114.564 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.67 131.28 44.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.733 -0.469 . . . . 46.5 109.733 162.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.06 127.71 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 108.112 -1.069 . . . . 59.71 108.112 173.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.1 mt -110.85 104.12 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.07 -0.715 . . . . 45.11 109.07 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.0 mt -70.59 151.38 95.47 Favored Pre-proline 0 C--O 1.261 1.664 0 N-CA-C 108.994 -0.743 . . . . 51.18 108.994 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -58.54 -44.96 33.01 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 O-C-N 123.882 1.464 . . . . 44.32 113.414 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.97 -29.96 63.46 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 119.358 -0.937 . . . . 47.3 111.315 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.84 90.78 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.572 0.953 . . . . 47.14 113.572 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.31 -48.29 79.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.375 -0.828 . . . . 46.0 110.873 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.45 -44.43 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.582 0.706 . . . . 43.1 109.58 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.4 -45.81 55.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 66.62 112.584 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -61.28 -17.09 51.82 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 114.586 1.328 . . . . 53.14 114.586 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.65 -15.5 51.84 Favored 'General case' 0 C--O 1.204 -1.308 0 N-CA-C 115.262 1.578 . . . . 53.54 115.262 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.19 133.54 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 122.247 -0.283 . . . . 55.44 111.309 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 -15.07 56.61 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 116.433 -0.349 . . . . 54.49 113.315 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -102.81 153.05 20.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 122.226 -0.573 . . . . 59.57 110.69 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -75.19 120.72 21.07 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.427 -0.583 . . . . 77.53 109.427 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 pt -114.69 168.59 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 120.019 -0.672 . . . . 47.41 110.418 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -120.6 126.94 51.55 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.907 -0.775 . . . . 51.67 108.907 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.28 122.66 69.66 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 N-CA-C 108.743 -0.836 . . . . 48.92 108.743 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.16 119.84 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 C-N-CA 120.669 -0.412 . . . . 46.31 110.722 170.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' B' ' 105' ' ' ASN . 94.0 mmm -98.44 154.47 17.84 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 106.157 -1.794 . . . . 50.6 106.157 -175.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -57.21 138.93 54.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 119.524 -0.87 . . . . 61.91 111.167 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.28 30.33 7.43 Favored Glycine 0 CA--C 1.506 -0.499 0 N-CA-C 108.874 -1.69 . . . . 65.7 108.874 167.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 64.02 36.05 10.19 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.745 1.017 . . . . 74.33 113.745 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -121.1 136.82 54.9 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 120.977 -0.289 . . . . 54.65 110.728 171.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -135.05 142.22 46.29 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.649 -0.421 . . . . 58.53 109.9 -172.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -130.32 146.67 51.94 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 113.593 0.96 . . . . 46.51 113.593 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.5 t -120.95 129.06 53.29 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 103.913 -2.625 . . . . 47.3 103.913 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.22 162.42 35.71 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 108.557 -1.817 . . . . 47.37 108.557 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.93 133.2 33.39 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.429 0 C-N-CA 119.924 -0.71 . . . . 45.95 109.18 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 tp -88.78 130.22 35.41 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 108.719 -0.845 . . . . 48.69 108.719 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -113.42 -21.64 10.77 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.867 0.729 . . . . 62.48 112.735 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 27' ' ' ILE . . . -175.25 166.92 38.71 Favored Glycine 0 N--CA 1.469 0.868 0 C-N-CA 120.543 -0.837 . . . . 47.7 111.99 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 63' ' ' ASN . 36.0 p90 -161.6 161.89 29.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 106.229 -1.767 . . . . 53.74 106.229 -178.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -127.56 -171.71 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 118.63 -1.228 . . . . 58.91 113.077 168.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.79 -21.72 66.56 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.513 -0.767 . . . . 70.52 111.459 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -85.69 1.57 48.84 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.769 -0.373 . . . . 69.6 111.315 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . 0.572 ' O ' HG12 ' B' ' 62' ' ' VAL . 13.8 t 63.96 21.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 119.768 -0.773 . . . . 41.8 113.037 -174.28 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' B' ' 58' ' ' PHE . 72.3 m-20 -61.53 140.74 58.05 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.806 -0.758 . . . . 41.83 110.088 153.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -135.06 148.66 49.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.925 0.713 . . . . 46.91 112.925 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.26 119.5 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 107.416 -1.327 . . . . 43.31 107.416 170.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -110.31 136.62 49.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 48.48 110.57 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -101.34 162.45 12.89 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.226 0.824 . . . . 61.12 113.226 161.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 60.57 56.61 3.01 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 115.134 -0.939 . . . . 72.35 110.692 165.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.6 142.45 15.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 107.278 -1.379 . . . . 54.29 107.278 -156.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.49 124.68 48.17 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 116.249 -0.432 . . . . 60.23 110.884 158.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -96.02 131.32 42.54 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.156 -0.929 . . . . 70.21 108.737 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.81 138.23 51.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.739 -0.837 . . . . 62.79 108.739 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.68 -161.14 11.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 121.22 0.345 . . . . 64.89 113.091 166.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -135.23 101.36 4.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 82.84 109.256 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . . . -114.4 162.94 16.0 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.389 -0.368 . . . . 75.28 110.892 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 75.27 110.807 179.718 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 N-CA-C 110.143 -0.317 . . . . 77.06 110.143 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . . . -66.6 114.14 5.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.062 -0.517 . . . . 74.93 111.342 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.51 136.79 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.979 -1.119 . . . . 75.63 107.979 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 28.0 ttm -67.98 130.55 43.29 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.835 -0.346 . . . . 72.11 111.06 165.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 35.7 m -117.0 -13.47 10.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 113.708 1.003 . . . . 70.08 113.708 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -166.14 149.7 7.56 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 114.326 1.232 . . . . 73.13 114.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -111.47 146.7 36.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.371 -0.832 . . . . 60.26 109.381 161.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -145.06 154.37 42.43 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 108.907 -0.775 . . . . 56.98 108.907 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . . . -73.04 -51.11 19.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.811 0.671 . . . . 57.14 112.811 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 75.6 m -150.08 133.42 16.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.907 0.883 . . . . 58.04 109.459 -171.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ILE . . . . . 0.42 HD12 HD21 ' B' ' 101' ' ' LEU . 40.5 pt -134.31 162.31 39.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.271 0.557 . . . . 55.86 111.375 173.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 tt -112.67 132.35 55.22 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.478 -1.675 . . . . 48.95 106.478 163.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LEU . . . . . 0.42 HD21 HD12 ' B' ' 99' ' ' ILE . 65.4 mt -104.77 135.38 46.26 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 116.26 -0.427 . . . . 51.58 110.393 171.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t -83.44 132.22 34.98 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.635 -1.246 . . . . 47.22 107.635 -174.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.25 -18.65 76.86 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 123.561 0.538 . . . . 46.37 111.9 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.69 -12.21 60.93 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.475 0.178 . . . . 56.55 110.604 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . 0.41 ' HB3' ' HE3' ' B' ' 45' ' ' MET . 53.0 t30 -115.96 3.69 13.7 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 113.731 1.011 . . . . 52.02 113.731 -176.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -78.01 134.28 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 112.641 0.608 . . . . 43.79 112.641 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.76 -44.92 7.21 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 111.896 0.332 . . . . 44.85 111.896 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 30.6 ttp -159.36 144.24 15.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.369 -0.604 . . . . 59.83 109.369 -168.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 tt -122.74 141.6 51.62 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.471 -1.307 . . . . 54.52 107.471 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 10.3 t -124.87 99.67 34.8 Favored Pre-proline 0 C--O 1.248 0.996 0 C-N-CA 124.047 0.939 . . . . 44.26 109.584 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 136.39 75.27 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.35 2.034 . . . . 52.41 109.164 172.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.38 -24.86 23.43 Favored Glycine 0 N--CA 1.464 0.544 0 C-N-CA 119.636 -1.269 . . . . 66.58 113.508 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.27 35.03 7.19 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 116.853 1.501 . . . . 65.55 116.853 150.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 N-CA-C 113.817 1.043 . . . . 71.19 113.817 164.226 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 120.671 0.272 . . . . 71.74 110.919 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -77.46 126.32 37.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.466 0 CA-C-N 116.024 -0.535 . . . . 68.53 109.601 170.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' O ' ' HA3' ' B' ' 57' ' ' GLY . . . -110.59 108.25 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.186 -0.606 . . . . 62.26 110.417 179.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.47 132.32 92.83 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 113.232 0.827 . . . . 59.67 113.232 170.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.49 -44.12 25.98 Favored 'Trans proline' 0 CA--C 1.549 1.254 0 C-N-CA 117.461 -1.226 . . . . 50.89 113.587 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.54 -30.02 71.2 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.678 0.672 . . . . 58.1 112.471 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.97 58.27 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.992 0.425 . . . . 52.68 111.743 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.56 -52.22 64.45 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.234 1.198 . . . . 62.93 114.234 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -60.01 -49.39 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 119.481 -0.888 . . . . 50.38 111.197 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.89 -46.61 42.93 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.533 -0.467 . . . . 63.75 112.069 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -55.22 -23.77 24.05 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.825 1.787 . . . . 53.06 115.825 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.5 m -85.74 -6.23 59.15 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.016 0.746 . . . . 53.58 113.016 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -55.63 122.3 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 O-C-N 121.604 -0.685 . . . . 55.34 112.163 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 1.16 85.42 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 114.535 0.574 . . . . 50.82 114.535 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -113.95 164.0 14.37 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-O 121.811 0.815 . . . . 56.92 111.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -74.61 132.76 42.02 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.894 -1.048 . . . . 49.43 108.966 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 pt -128.38 169.56 19.56 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 C-N-CA 119.595 -0.842 . . . . 48.58 110.434 169.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -118.65 126.04 51.07 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 123.964 0.79 . . . . 60.23 110.727 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.38 119.04 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.212 -1.033 . . . . 46.48 108.212 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.08 112.0 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.87 -0.789 . . . . 56.77 108.87 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.7 mmm -85.78 167.75 14.94 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 107.652 -1.24 . . . . 55.44 107.652 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.54 139.58 58.23 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.994 -0.282 . . . . 67.15 110.677 162.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.57 19.46 29.7 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 120.779 -0.724 . . . . 67.2 114.105 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 58.73 33.37 23.02 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 116.181 1.919 . . . . 75.45 116.181 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -99.54 137.39 38.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.592 -0.443 . . . . 60.79 110.317 160.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.75 144.26 47.6 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.587 -0.894 . . . . 65.58 108.587 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.91 121.6 16.37 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 107.566 -1.272 . . . . 49.32 107.566 -166.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -97.2 129.86 44.5 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.653 -0.499 . . . . 45.33 109.653 164.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.82 167.2 40.37 Favored Glycine 0 C--O 1.203 -1.836 0 C-N-CA 117.894 -2.098 . . . . 43.41 111.461 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.8 t -91.15 121.06 41.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-O 121.74 0.781 . . . . 45.33 109.97 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.52 127.28 32.75 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.127 -1.029 . . . . 39.29 109.957 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -107.21 -29.66 9.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 123.829 0.705 . . . . 44.95 111.132 -174.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.01 169.7 39.95 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 111.22 -0.752 . . . . 38.54 111.22 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -164.64 169.44 16.95 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 122.216 -0.579 . . . . 52.01 110.136 -174.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.31 175.81 9.24 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-N 115.118 -0.946 . . . . 53.19 111.488 174.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -17.0 62.27 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 122.122 -0.361 . . . . 68.87 111.707 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -82.21 1.49 36.25 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 114.027 1.121 . . . . 78.14 114.027 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.2 t 57.75 26.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 CA-C-N 116.071 -0.513 . . . . 48.22 111.816 -169.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -62.51 134.82 56.94 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.02 -1.844 . . . . 46.34 106.02 155.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.2 mtm -135.76 150.26 49.43 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.873 1.064 . . . . 48.54 113.873 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.23 120.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 107.147 -1.427 . . . . 39.14 107.147 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -119.38 147.22 44.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 108.551 -0.907 . . . . 50.43 108.551 -177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -119.77 166.17 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 105.945 -1.872 . . . . 56.2 105.945 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.3 t0 49.67 59.17 4.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 113.964 -1.471 . . . . 49.11 107.528 166.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.59 134.91 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.667 -1.151 . . . . 40.84 110.193 -163.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -111.65 121.84 46.21 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 120.636 -0.425 . . . . 47.87 109.943 162.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.1 116.44 27.37 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 123.927 0.767 . . . . 64.34 110.277 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -93.71 160.67 14.66 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 114.552 1.315 . . . . 59.83 114.552 166.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.15 174.75 37.78 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 106.936 -2.466 . . . . 66.91 106.936 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -126.09 126.22 43.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.449 -0.901 . . . . 77.38 112.191 -173.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -138.51 134.4 33.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.457 -0.792 . . . . 74.98 109.082 -163.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 77' ' ' ASP . . . -59.13 -31.94 69.4 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.05 1.13 . . . . 79.33 114.05 -164.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.781 0.659 . . . . 81.62 112.781 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.678 0 CA-C-O 120.797 0.332 . . . . 76.73 111.44 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . . . -80.74 111.58 17.31 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.407 -0.36 . . . . 73.58 110.63 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . . . -109.9 130.99 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 112.096 0.406 . . . . 67.58 112.096 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 45.3 ttm -55.29 113.58 1.45 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.04 0.448 . . . . 67.57 110.865 161.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 m -108.78 -4.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.155 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -170.17 158.51 6.92 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 115.461 1.652 . . . . 63.21 115.461 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -122.84 134.69 54.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 106.443 -1.688 . . . . 54.65 106.443 170.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.66 161.07 38.06 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.501 -1.28 . . . . 51.55 110.803 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -102.56 -125.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.247 -1.39 . . . . 52.72 107.247 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.6 m -77.56 114.1 16.06 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 108.242 -1.022 . . . . 53.98 108.242 -164.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' CD2' ' A' ' 101' ' ' LEU . 32.7 pt -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 121.551 -0.718 . . . . 52.87 112.005 173.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 100' ' ' LEU . 10.5 tt -106.75 125.26 50.77 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.518 -1.219 . . . . 51.07 111.345 160.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 99' ' ' ILE . 16.4 mt -97.2 129.22 44.58 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.909 -0.404 . . . . 54.7 109.909 170.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -74.52 125.05 27.77 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.952 -0.567 . . . . 43.38 110.699 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.909 -1.139 . . . . 46.26 113.941 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.1 -16.05 17.32 Favored 'General case' 0 CA--C 1.487 -1.455 0 N-CA-C 107.545 -1.28 . . . . 68.27 107.545 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -121.1 8.69 10.4 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 117.963 -1.495 . . . . 59.57 112.191 -166.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.75 141.46 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.659 0.614 . . . . 49.55 112.659 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.58 -44.56 4.86 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.791 0.293 . . . . 48.86 111.791 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' MET . . . . . 0.429 ' CG ' ' N ' ' A' ' 109' ' ' LEU . 17.4 ttp -160.45 157.9 28.45 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.416 -0.587 . . . . 63.72 109.416 -171.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' N ' ' CG ' ' A' ' 108' ' ' MET . 10.3 tt -141.3 124.64 16.57 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 103.529 -2.767 . . . . 58.65 103.529 -169.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.0 t -108.57 110.82 61.46 Favored Pre-proline 0 C--O 1.237 0.415 0 C-N-CA 120.1 -0.64 . . . . 52.88 111.037 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -62.98 133.45 41.42 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.8 -1.667 . . . . 64.2 108.35 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.49 64.62 1.76 Allowed Glycine 0 C--O 1.241 0.584 0 N-CA-C 111.439 -0.664 . . . . 74.69 111.439 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.585 0 N-CA-C 110.959 -0.856 . . . . 79.56 110.959 171.879 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.629 0 N-CA-C 112.376 -0.29 . . . . 63.44 112.376 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.44 166.27 1.72 Allowed Glycine 0 N--CA 1.471 0.976 0 N-CA-C 114.564 0.586 . . . . 58.74 114.564 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.67 131.28 44.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.733 -0.469 . . . . 46.5 109.733 162.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.06 127.71 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 N-CA-C 108.112 -1.069 . . . . 59.71 108.112 173.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.1 mt -110.85 104.12 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.07 -0.715 . . . . 45.11 109.07 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.0 mt -70.59 151.38 95.47 Favored Pre-proline 0 C--O 1.261 1.664 0 N-CA-C 108.994 -0.743 . . . . 51.18 108.994 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -58.54 -44.96 33.01 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 O-C-N 123.882 1.464 . . . . 44.32 113.414 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.97 -29.96 63.46 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 119.358 -0.937 . . . . 47.3 111.315 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.84 90.78 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.572 0.953 . . . . 47.14 113.572 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.31 -48.29 79.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.375 -0.828 . . . . 46.0 110.873 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.45 -44.43 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.582 0.706 . . . . 43.1 109.58 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.4 -45.81 55.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 66.62 112.584 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -61.28 -17.09 51.82 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 114.586 1.328 . . . . 53.14 114.586 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.65 -15.5 51.84 Favored 'General case' 0 C--O 1.204 -1.308 0 N-CA-C 115.262 1.578 . . . . 53.54 115.262 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.19 133.54 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 122.247 -0.283 . . . . 55.44 111.309 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 -15.07 56.61 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 116.433 -0.349 . . . . 54.49 113.315 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -102.81 153.05 20.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 122.226 -0.573 . . . . 59.57 110.69 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -75.19 120.72 21.07 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.427 -0.583 . . . . 77.53 109.427 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 34.4 pt -114.69 168.59 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 120.019 -0.672 . . . . 47.41 110.418 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -120.6 126.94 51.55 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 108.907 -0.775 . . . . 51.67 108.907 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.28 122.66 69.66 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 N-CA-C 108.743 -0.836 . . . . 48.92 108.743 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.16 119.84 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 C-N-CA 120.669 -0.412 . . . . 46.31 110.722 170.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' B' ' 105' ' ' ASN . 94.0 mmm -98.44 154.47 17.84 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 106.157 -1.794 . . . . 50.6 106.157 -175.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -57.21 138.93 54.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 119.524 -0.87 . . . . 61.91 111.167 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.28 30.33 7.43 Favored Glycine 0 CA--C 1.506 -0.499 0 N-CA-C 108.874 -1.69 . . . . 65.7 108.874 167.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 64.02 36.05 10.19 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.745 1.017 . . . . 74.33 113.745 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -121.1 136.82 54.9 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 120.977 -0.289 . . . . 54.65 110.728 171.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -135.05 142.22 46.29 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 120.649 -0.421 . . . . 58.53 109.9 -172.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -130.32 146.67 51.94 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 113.593 0.96 . . . . 46.51 113.593 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.5 t -120.95 129.06 53.29 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 103.913 -2.625 . . . . 47.3 103.913 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.22 162.42 35.71 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 108.557 -1.817 . . . . 47.37 108.557 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.93 133.2 33.39 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.429 0 C-N-CA 119.924 -0.71 . . . . 45.95 109.18 175.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 tp -88.78 130.22 35.41 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 108.719 -0.845 . . . . 48.69 108.719 -168.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -113.42 -21.64 10.77 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.867 0.729 . . . . 62.48 112.735 -177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 27' ' ' ILE . . . -175.25 166.92 38.71 Favored Glycine 0 N--CA 1.469 0.868 0 C-N-CA 120.543 -0.837 . . . . 47.7 111.99 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 63' ' ' ASN . 36.0 p90 -161.6 161.89 29.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 106.229 -1.767 . . . . 53.74 106.229 -178.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -127.56 -171.71 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 118.63 -1.228 . . . . 58.91 113.077 168.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.79 -21.72 66.56 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.513 -0.767 . . . . 70.52 111.459 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -85.69 1.57 48.84 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.769 -0.373 . . . . 69.6 111.315 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.572 ' O ' HG12 ' B' ' 62' ' ' VAL . 13.8 t 63.96 21.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.593 0 C-N-CA 119.768 -0.773 . . . . 41.8 113.037 -174.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' B' ' 58' ' ' PHE . 72.3 m-20 -61.53 140.74 58.05 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.806 -0.758 . . . . 41.83 110.088 153.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 63.5 mtm -135.06 148.66 49.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.925 0.713 . . . . 46.91 112.925 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.0 t -109.26 119.5 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 107.416 -1.327 . . . . 43.31 107.416 170.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -110.31 136.62 49.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 48.48 110.57 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -101.34 162.45 12.89 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.226 0.824 . . . . 61.12 113.226 161.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 60.57 56.61 3.01 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 115.134 -0.939 . . . . 72.35 110.692 165.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.6 142.45 15.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 107.278 -1.379 . . . . 54.29 107.278 -156.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.49 124.68 48.17 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 116.249 -0.432 . . . . 60.23 110.884 158.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -96.02 131.32 42.54 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.156 -0.929 . . . . 70.21 108.737 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.81 138.23 51.01 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.739 -0.837 . . . . 62.79 108.739 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.68 -161.14 11.23 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 121.22 0.345 . . . . 64.89 113.091 166.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -135.23 101.36 4.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 82.84 109.256 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . . . -114.4 162.94 16.0 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.389 -0.368 . . . . 75.28 110.892 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 75.27 110.807 179.718 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.672 0 N-CA-C 110.143 -0.317 . . . . 77.06 110.143 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . . . -66.6 114.14 5.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.062 -0.517 . . . . 74.93 111.342 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.51 136.79 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 107.979 -1.119 . . . . 75.63 107.979 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 28.0 ttm -67.98 130.55 43.29 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.835 -0.346 . . . . 72.11 111.06 165.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 35.7 m -117.0 -13.47 10.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 113.708 1.003 . . . . 70.08 113.708 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -166.14 149.7 7.56 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 114.326 1.232 . . . . 73.13 114.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -111.47 146.7 36.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.371 -0.832 . . . . 60.26 109.381 161.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -145.06 154.37 42.43 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 108.907 -0.775 . . . . 56.98 108.907 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . . . -73.04 -51.11 19.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.811 0.671 . . . . 57.14 112.811 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 75.6 m -150.08 133.42 16.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.907 0.883 . . . . 58.04 109.459 -171.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.42 HD12 HD21 ' B' ' 101' ' ' LEU . 40.5 pt -134.31 162.31 39.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.271 0.557 . . . . 55.86 111.375 173.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 tt -112.67 132.35 55.22 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.478 -1.675 . . . . 48.95 106.478 163.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.42 HD21 HD12 ' B' ' 99' ' ' ILE . 65.4 mt -104.77 135.38 46.26 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 116.26 -0.427 . . . . 51.58 110.393 171.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t -83.44 132.22 34.98 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.635 -1.246 . . . . 47.22 107.635 -174.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.25 -18.65 76.86 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 123.561 0.538 . . . . 46.37 111.9 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.69 -12.21 60.93 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.475 0.178 . . . . 56.55 110.604 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . 0.41 ' HB3' ' HE3' ' B' ' 45' ' ' MET . 53.0 t30 -115.96 3.69 13.7 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 113.731 1.011 . . . . 52.02 113.731 -176.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -78.01 134.28 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 112.641 0.608 . . . . 43.79 112.641 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.76 -44.92 7.21 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 111.896 0.332 . . . . 44.85 111.896 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 30.6 ttp -159.36 144.24 15.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.369 -0.604 . . . . 59.83 109.369 -168.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 tt -122.74 141.6 51.62 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.471 -1.307 . . . . 54.52 107.471 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 10.3 t -124.87 99.67 34.8 Favored Pre-proline 0 C--O 1.248 0.996 0 C-N-CA 124.047 0.939 . . . . 44.26 109.584 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 136.39 75.27 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.35 2.034 . . . . 52.41 109.164 172.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.38 -24.86 23.43 Favored Glycine 0 N--CA 1.464 0.544 0 C-N-CA 119.636 -1.269 . . . . 66.58 113.508 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.27 35.03 7.19 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 116.853 1.501 . . . . 65.55 116.853 150.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 N-CA-C 113.817 1.043 . . . . 71.19 113.817 164.226 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_