data_1bk2_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 1bk2 _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 ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 tttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.324 -0.621 . . . . 62.38 109.324 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -77.36 -177.3 4.57 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 122.99 0.516 . . . . 65.95 111.458 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 mt -119.94 144.96 47.18 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.899 -2.26 . . . . 38.07 104.899 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.49 145.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.648 1.213 . . . . 35.3 111.397 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 tp -98.83 121.69 41.11 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.773 -1.103 . . . . 35.5 109.83 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 115.68 9.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 107.383 -1.34 . . . . 36.24 107.383 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.1 mt -85.74 -16.05 40.17 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.931 1.456 . . . . 34.97 114.931 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.49 164.67 32.65 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.343 -1.355 . . . . 45.48 107.343 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -81.69 151.73 27.4 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 105.289 -2.115 . . . . 54.79 105.289 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -154.83 118.49 4.57 Favored 'General case' 0 CA--C 1.486 -1.481 0 N-CA-C 107.162 -1.421 . . . . 39.06 107.162 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -95.81 131.72 41.82 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.34 1.025 . . . . 54.31 109.066 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 143.65 20.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.574 0.702 . . . . 63.12 112.731 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -127.06 3.43 6.49 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.439 0.903 . . . . 50.39 113.439 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.95 157.38 43.53 Favored Pre-proline 0 CA--C 1.51 -0.561 0 N-CA-C 107.571 -1.27 . . . . 41.85 107.571 -177.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -64.33 -22.4 66.31 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 N-CA-C 117.814 2.198 . . . . 42.48 117.814 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -1.16 57.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 61.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -93.46 166.98 12.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 115.893 1.812 . . . . 39.27 115.893 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.33 154.15 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.892 0 N-CA-C 107.775 -1.194 . . . . 39.19 107.775 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -96.24 137.93 34.59 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.06 0.944 . . . . 40.71 113.251 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -140.88 164.09 31.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.683 -0.858 . . . . 34.24 108.683 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -114.99 151.07 34.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.636 -1.246 . . . . 47.25 107.636 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -58.99 142.48 51.04 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.46 -1.311 . . . . 64.3 107.46 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.38 -19.12 45.58 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-O 119.274 -0.737 . . . . 36.81 114.872 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.08 137.93 55.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.607 1.163 . . . . 39.14 113.052 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -104.82 118.59 52.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 101.333 -3.581 . . . . 36.16 101.333 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 153.77 32.33 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 113.988 -1.46 . . . . 42.73 111.156 -178.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -90.4 123.8 34.42 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.131 -1.062 . . . . 34.51 108.131 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.77 107.26 11.34 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.732 0.641 . . . . 35.85 112.732 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.67 -46.18 13.56 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.268 1.21 . . . . 39.91 114.268 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -146.99 124.93 11.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 112.666 0.617 . . . . 37.5 112.666 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 21.85 10.85 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 115.123 1.527 . . . . 49.68 115.123 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -65.72 -29.76 70.34 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.25 0.833 . . . . 36.82 113.25 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.71 131.39 37.13 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.524 0.678 . . . . 40.03 112.758 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -67.22 -20.49 65.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.657 -1.61 . . . . 69.8 114.632 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -108.85 -34.49 6.64 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.543 2.053 . . . . 48.66 116.543 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -123.65 133.95 53.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.19 0.996 . . . . 41.88 109.338 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -120.12 137.31 54.22 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.252 -1.388 . . . . 36.74 107.252 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -87.0 121.77 29.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.784 -0.821 . . . . 51.81 108.784 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.04 173.39 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-O 121.392 0.615 . . . . 35.36 111.257 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -127.21 124.93 40.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.219 -1.4 . . . . 54.73 107.219 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.63 140.95 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 104.179 -2.526 . . . . 52.92 104.179 178.834 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 17.08 59.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.114 1 N-CA-C 121.867 4.025 . . . . 58.91 121.867 178.594 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.25 50.79 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.417 1.727 . . . . 56.83 117.417 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -109.43 136.65 48.51 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.852 1.056 . . . . 82.66 113.852 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.12 162.6 15.76 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 105.43 -2.063 . . . . 68.87 105.43 175.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.02 -176.86 34.15 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 106.767 -2.533 . . . . 36.93 106.767 -179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -99.76 153.72 18.89 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 115.422 1.638 . . . . 33.08 115.422 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.48 160.98 46.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 103.438 -2.801 . . . . 31.87 103.438 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -66.57 131.28 25.69 Favored 'Trans proline' 0 C--O 1.257 1.441 0 C-N-CA 118.17 -0.753 . . . . 35.46 111.567 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.09 64.68 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 114.873 -1.058 . . . . 39.65 111.772 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.57 -7.45 55.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.9 1.074 . . . . 41.73 113.9 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -96.82 -9.75 28.06 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.005 -1.078 . . . . 40.49 110.908 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.57 164.05 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 123.59 0.556 . . . . 41.1 112.115 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -136.2 132.35 35.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 44.12 109.334 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -71.62 137.39 47.89 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.917 1.451 . . . . 47.75 114.917 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.9 mt -114.22 112.92 23.92 Favored 'General case' 0 C--O 1.244 0.773 1 N-CA-C 94.502 -6.11 . . . . 63.9 94.502 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 120.085 3.365 . . . . 76.92 120.085 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 9.8 tttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.324 -0.621 . . . . 62.38 109.324 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -77.36 -177.3 4.57 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 122.99 0.516 . . . . 65.95 111.458 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 mt -119.94 144.96 47.18 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.899 -2.26 . . . . 38.07 104.899 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 60' ' ' LYS . 21.4 m -129.49 145.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.648 1.213 . . . . 35.3 111.397 178.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 tp -98.83 121.69 41.11 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.773 -1.103 . . . . 35.5 109.83 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -69.74 115.68 9.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 107.383 -1.34 . . . . 36.24 107.383 178.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.1 mt -85.74 -16.05 40.17 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.931 1.456 . . . . 34.97 114.931 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.49 164.67 32.65 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.343 -1.355 . . . . 45.48 107.343 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -81.69 151.73 27.4 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 105.289 -2.115 . . . . 54.79 105.289 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -154.83 118.49 4.57 Favored 'General case' 0 CA--C 1.486 -1.481 0 N-CA-C 107.162 -1.421 . . . . 39.06 107.162 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -95.81 131.72 41.82 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.34 1.025 . . . . 54.31 109.066 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 143.65 20.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.574 0.702 . . . . 63.12 112.731 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -127.06 3.43 6.49 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.439 0.903 . . . . 50.39 113.439 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.95 157.38 43.53 Favored Pre-proline 0 CA--C 1.51 -0.561 0 N-CA-C 107.571 -1.27 . . . . 41.85 107.571 -177.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -64.33 -22.4 66.31 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 N-CA-C 117.814 2.198 . . . . 42.48 117.814 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -1.16 57.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 61.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -93.46 166.98 12.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 115.893 1.812 . . . . 39.27 115.893 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.33 154.15 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.892 0 N-CA-C 107.775 -1.194 . . . . 39.19 107.775 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -96.24 137.93 34.59 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.06 0.944 . . . . 40.71 113.251 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -140.88 164.09 31.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.683 -0.858 . . . . 34.24 108.683 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -114.99 151.07 34.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.636 -1.246 . . . . 47.25 107.636 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -58.99 142.48 51.04 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.46 -1.311 . . . . 64.3 107.46 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.38 -19.12 45.58 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-O 119.274 -0.737 . . . . 36.81 114.872 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.08 137.93 55.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.607 1.163 . . . . 39.14 113.052 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -104.82 118.59 52.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 101.333 -3.581 . . . . 36.16 101.333 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -117.24 153.77 32.33 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 113.988 -1.46 . . . . 42.73 111.156 -178.69 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -90.4 123.8 34.42 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.131 -1.062 . . . . 34.51 108.131 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 11.2 tp -78.77 107.26 11.34 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.732 0.641 . . . . 35.85 112.732 -179.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.67 -46.18 13.56 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.268 1.21 . . . . 39.91 114.268 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -146.99 124.93 11.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 112.666 0.617 . . . . 37.5 112.666 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 21.85 10.85 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 115.123 1.527 . . . . 49.68 115.123 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -65.72 -29.76 70.34 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.25 0.833 . . . . 36.82 113.25 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.71 131.39 37.13 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.524 0.678 . . . . 40.03 112.758 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -67.22 -20.49 65.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.657 -1.61 . . . . 69.8 114.632 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -108.85 -34.49 6.64 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.543 2.053 . . . . 48.66 116.543 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -123.65 133.95 53.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.19 0.996 . . . . 41.88 109.338 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -120.12 137.31 54.22 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.252 -1.388 . . . . 36.74 107.252 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -87.0 121.77 29.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.784 -0.821 . . . . 51.81 108.784 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.04 173.39 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-O 121.392 0.615 . . . . 35.36 111.257 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -127.21 124.93 40.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.219 -1.4 . . . . 54.73 107.219 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG22 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -134.63 140.95 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 104.179 -2.526 . . . . 52.92 104.179 178.834 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 17.08 59.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.114 1 N-CA-C 121.867 4.025 . . . . 58.91 121.867 178.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.25 50.79 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.417 1.727 . . . . 56.83 117.417 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -109.43 136.65 48.51 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.852 1.056 . . . . 82.66 113.852 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.12 162.6 15.76 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 105.43 -2.063 . . . . 68.87 105.43 175.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.02 -176.86 34.15 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 106.767 -2.533 . . . . 36.93 106.767 -179.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -99.76 153.72 18.89 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 115.422 1.638 . . . . 33.08 115.422 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.48 160.98 46.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 103.438 -2.801 . . . . 31.87 103.438 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -66.57 131.28 25.69 Favored 'Trans proline' 0 C--O 1.257 1.441 0 C-N-CA 118.17 -0.753 . . . . 35.46 111.567 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.09 64.68 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 114.873 -1.058 . . . . 39.65 111.772 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.57 -7.45 55.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.9 1.074 . . . . 41.73 113.9 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -96.82 -9.75 28.06 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.005 -1.078 . . . . 40.49 110.908 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.57 164.05 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 123.59 0.556 . . . . 41.1 112.115 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -136.2 132.35 35.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 44.12 109.334 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HA ' HG12 ' A' ' 9' ' ' VAL . 39.1 mttt -71.62 137.39 47.89 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.917 1.451 . . . . 47.75 114.917 178.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.9 mt -114.22 112.92 23.92 Favored 'General case' 0 C--O 1.244 0.773 1 N-CA-C 94.502 -6.11 . . . . 63.9 94.502 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 120.085 3.365 . . . . 76.92 120.085 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 33' ' ' LEU . 9.8 tttp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.324 -0.621 . . . . 62.38 109.324 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -77.36 -177.3 4.57 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 122.99 0.516 . . . . 65.95 111.458 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 mt -119.94 144.96 47.18 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.899 -2.26 . . . . 38.07 104.899 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 60' ' ' LYS . 21.4 m -129.49 145.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.648 1.213 . . . . 35.3 111.397 178.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 tp -98.83 121.69 41.11 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.773 -1.103 . . . . 35.5 109.83 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -69.74 115.68 9.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 107.383 -1.34 . . . . 36.24 107.383 178.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.1 mt -85.74 -16.05 40.17 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 114.931 1.456 . . . . 34.97 114.931 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.49 164.67 32.65 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.343 -1.355 . . . . 45.48 107.343 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -81.69 151.73 27.4 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 105.289 -2.115 . . . . 54.79 105.289 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -154.83 118.49 4.57 Favored 'General case' 0 CA--C 1.486 -1.481 0 N-CA-C 107.162 -1.421 . . . . 39.06 107.162 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -95.81 131.72 41.82 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.34 1.025 . . . . 54.31 109.066 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 143.65 20.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.574 0.702 . . . . 63.12 112.731 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -127.06 3.43 6.49 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.439 0.903 . . . . 50.39 113.439 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.95 157.38 43.53 Favored Pre-proline 0 CA--C 1.51 -0.561 0 N-CA-C 107.571 -1.27 . . . . 41.85 107.571 -177.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -64.33 -22.4 66.31 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 N-CA-C 117.814 2.198 . . . . 42.48 117.814 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -1.16 57.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 61.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -93.46 166.98 12.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 115.893 1.812 . . . . 39.27 115.893 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.33 154.15 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.892 0 N-CA-C 107.775 -1.194 . . . . 39.19 107.775 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -96.24 137.93 34.59 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.06 0.944 . . . . 40.71 113.251 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -140.88 164.09 31.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.683 -0.858 . . . . 34.24 108.683 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -114.99 151.07 34.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.636 -1.246 . . . . 47.25 107.636 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -58.99 142.48 51.04 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.46 -1.311 . . . . 64.3 107.46 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.38 -19.12 45.58 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-O 119.274 -0.737 . . . . 36.81 114.872 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.08 137.93 55.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.607 1.163 . . . . 39.14 113.052 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -104.82 118.59 52.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 101.333 -3.581 . . . . 36.16 101.333 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD23 HG22 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -117.24 153.77 32.33 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 113.988 -1.46 . . . . 42.73 111.156 -178.69 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -90.4 123.8 34.42 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.131 -1.062 . . . . 34.51 108.131 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 11.2 tp -78.77 107.26 11.34 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.732 0.641 . . . . 35.85 112.732 -179.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.67 -46.18 13.56 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 114.268 1.21 . . . . 39.91 114.268 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -146.99 124.93 11.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 112.666 0.617 . . . . 37.5 112.666 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 21.85 10.85 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 115.123 1.527 . . . . 49.68 115.123 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -65.72 -29.76 70.34 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.25 0.833 . . . . 36.82 113.25 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.71 131.39 37.13 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.524 0.678 . . . . 40.03 112.758 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -67.22 -20.49 65.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.657 -1.61 . . . . 69.8 114.632 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -108.85 -34.49 6.64 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.543 2.053 . . . . 48.66 116.543 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -123.65 133.95 53.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.19 0.996 . . . . 41.88 109.338 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -120.12 137.31 54.22 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.252 -1.388 . . . . 36.74 107.252 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -87.0 121.77 29.93 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.784 -0.821 . . . . 51.81 108.784 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.04 173.39 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-O 121.392 0.615 . . . . 35.36 111.257 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -127.21 124.93 40.11 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.219 -1.4 . . . . 54.73 107.219 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG22 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -134.63 140.95 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 104.179 -2.526 . . . . 52.92 104.179 178.834 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 17.08 59.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.114 1 N-CA-C 121.867 4.025 . . . . 58.91 121.867 178.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.6 -16.25 50.79 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.417 1.727 . . . . 56.83 117.417 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -109.43 136.65 48.51 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.852 1.056 . . . . 82.66 113.852 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.12 162.6 15.76 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 105.43 -2.063 . . . . 68.87 105.43 175.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.02 -176.86 34.15 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 106.767 -2.533 . . . . 36.93 106.767 -179.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -99.76 153.72 18.89 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 115.422 1.638 . . . . 33.08 115.422 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.48 160.98 46.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 103.438 -2.801 . . . . 31.87 103.438 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -66.57 131.28 25.69 Favored 'Trans proline' 0 C--O 1.257 1.441 0 C-N-CA 118.17 -0.753 . . . . 35.46 111.567 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.09 64.68 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 114.873 -1.058 . . . . 39.65 111.772 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.57 -7.45 55.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.9 1.074 . . . . 41.73 113.9 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -96.82 -9.75 28.06 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.005 -1.078 . . . . 40.49 110.908 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.57 164.05 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 123.59 0.556 . . . . 41.1 112.115 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -136.2 132.35 35.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 44.12 109.334 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HA ' HG12 ' A' ' 9' ' ' VAL . 39.1 mttt -71.62 137.39 47.89 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.917 1.451 . . . . 47.75 114.917 178.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.9 mt -114.22 112.92 23.92 Favored 'General case' 0 C--O 1.244 0.773 1 N-CA-C 94.502 -6.11 . . . . 63.9 94.502 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 120.085 3.365 . . . . 76.92 120.085 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_