data_4jcz_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 4jcz _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 ' 0' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.659 0.266 . . . . 145.52000000000001 110.554 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -103.63 13.17 33.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.105 -0.498 . . . . 148.88999999999999 112.095 173.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -55.28 -40.93 71.61 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.065 0.228 . . . . 103.86 111.457 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . 0.765 ' O ' ' O ' ' A' ' 303' ' ' HOH . 2.6 m-20 -62.17 -32.5 73.12 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.029 0.381 . . . . 115.14 112.029 -176.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.6 -9.55 59.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 119.825 -0.75 . . . . 133.00999999999999 110.993 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.36 7.79 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.109 1.892 . . . . 68.0 116.109 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.48 78.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.898 0.703 . . . . 56.0 112.898 -173.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.25 -38.36 75.12 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.76 -1.176 . . . . 54.299999999999997 111.38 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -42.19 98.07 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.635 -0.876 . . . . 40.390000000000001 108.635 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.59 91.52 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 112.281 0.475 . . . . 40.770000000000003 112.281 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.15 77.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.751 -0.659 . . . . 42.020000000000003 112.55 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.51 -40.8 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.423 0.63 . . . . 42.579999999999998 111.53 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -55.53 -48.27 74.96 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.71 -0.677 . . . . 34.649999999999999 112.217 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.82 -41.22 95.93 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.5 -0.773 . . . . 44.899999999999999 109.959 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.0 tp -57.13 -40.14 76.54 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.436 -0.347 . . . . 63.100000000000001 111.909 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.16 96.26 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.78 -0.928 . . . . 47.439999999999998 110.78 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.58 -49.22 85.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 C-N-CA 119.718 -0.793 . . . . 44.57 110.148 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.64 -44.11 76.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.435 0.902 . . . . 48.460000000000001 113.435 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.37 -41.46 97.13 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 112.495 0.554 . . . . 45.619999999999997 112.495 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . 0.876 ' OE1' ' O ' ' A' ' 307' ' ' HOH . 30.7 mm100 -63.32 -39.07 93.53 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.691 0.758 . . . . 50.210000000000001 112.304 176.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.43 99.55 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.832 -1.076 . . . . 47.469999999999999 108.427 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.65 -45.74 88.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.346 -1.297 . . . . 78.269999999999996 111.511 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -58.42 -44.41 89.08 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.717 -0.674 . . . . 51.240000000000002 110.797 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -60.0 -44.07 94.78 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 112.69 0.626 . . . . 58.030000000000001 112.69 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.02 -35.17 79.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.372 -0.931 . . . . 72.230000000000004 109.998 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.68 -37.83 88.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 119.731 -0.788 . . . . 80.010000000000005 112.085 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.53 -42.78 96.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 118.808 -0.615 . . . . 59.079999999999998 110.41 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.33 -39.17 81.77 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 C-N-CA 118.962 -1.095 . . . . 74.870000000000005 110.949 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 t -64.82 -40.05 94.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.412 -0.813 . . . . 80.819999999999993 112.389 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.91 76.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.891 -1.124 . . . . 66.950000000000003 111.357 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -59.24 -38.31 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.038 0.385 . . . . 74.060000000000002 112.038 174.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -73.7 -57.08 4.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.336 0.865 . . . . 122.43000000000001 113.336 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -49.18 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.599 2.074 . . . . 98.109999999999999 116.599 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -104.38 18.37 22.29 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.241 0.473 . . . . 99.25 110.883 -173.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 314' ' ' HOH . 13.8 mmt-85 50.26 65.86 1.32 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.295 0.997 . . . . 121.47 112.042 173.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -121.16 117.32 52.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 119.512 -0.875 . . . . 88.790000000000006 110.499 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.6 p -102.4 140.9 21.54 Favored Pre-proline 0 C--O 1.221 -0.432 0 CA-C-O 118.602 -0.713 . . . . 91.680000000000007 109.175 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.01 142.96 99.54 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 C-N-CA 124.053 3.169 . . . . 83.189999999999998 115.583 172.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 73.0 Cg_endo -76.23 -156.34 1.2 Allowed 'Cis proline' 0 C--N 1.363 1.329 0 N-CA-C 106.717 -2.07 . . . . 84.349999999999994 106.717 0.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 4.9 tp 90.8 125.77 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 103.946 -2.612 . . . . 99.890000000000001 103.946 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.7 p -134.9 18.63 3.49 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.518 -1.66 . . . . 82.849999999999994 106.518 -165.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 p -108.87 145.05 35.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 113.828 -1.533 . . . . 80.730000000000004 109.454 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.53 -157.04 19.75 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 108.818 -1.713 . . . . 61.259999999999998 108.818 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -52.78 153.12 15.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 121.654 1.569 . . . . 68.290000000000006 110.399 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -48.19 -44.14 29.46 Favored 'Trans proline' 0 C--O 1.213 -0.736 0 C-N-CA 124.23 3.286 . . . . 84.200000000000003 114.409 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -64.37 -37.82 88.86 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 118.722 0.692 . . . . 94.140000000000001 112.654 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -67.46 -44.54 78.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.441 -0.948 . . . . 68.310000000000002 108.441 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.62 -33.73 76.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 119.674 -0.811 . . . . 71.299999999999997 109.79 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -67.52 -41.14 84.89 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.416 -0.326 . . . . 75.730000000000004 111.227 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.52 -45.49 85.18 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 122.042 0.925 . . . . 61.780000000000001 111.403 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -56.01 -45.33 79.11 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.713 -1.585 . . . . 62.82 111.322 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -72.71 -35.51 67.61 Favored 'General case' 0 C--O 1.257 1.495 0 CA-C-N 113.412 -1.722 . . . . 83.049999999999997 110.333 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.33 99.14 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.377 1.084 . . . . 48.490000000000002 109.993 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.24 -48.14 71.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.857 -1.52 . . . . 48.590000000000003 111.769 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.07 -45.25 76.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 112.442 0.534 . . . . 41.740000000000002 112.442 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -68.13 -41.32 81.87 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 119.06 -1.056 . . . . 81.489999999999995 110.616 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.8 -46.55 88.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 118.955 -1.098 . . . . 53.82 111.018 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -57.21 -42.43 81.32 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.403 0.89 . . . . 48.399999999999999 113.403 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.0 -39.12 90.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 109.137 -0.69 . . . . 75.25 109.137 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.71 -14.3 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.355 1.242 . . . . 82.790000000000006 114.355 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.9 -41.3 81.19 Favored Pre-proline 0 CA--C 1.569 1.673 0 N-CA-C 114.09 1.144 . . . . 43.18 114.09 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -66.8 -26.83 44.68 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 114.003 0.732 . . . . 42.659999999999997 114.003 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.4 -43.41 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.394 -1.322 . . . . 42.100000000000001 108.16 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.87 -52.34 65.5 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.933 -1.485 . . . . 39.590000000000003 111.842 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.11 -49.34 76.21 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 114.673 1.36 . . . . 48.100000000000001 114.673 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.88 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 40.299999999999997 110.941 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.0 p -75.94 -35.41 59.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 119.451 -0.9 . . . . 62.380000000000003 109.811 -171.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 tp -55.61 -50.88 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.214 -1.032 . . . . 42.729999999999997 108.214 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.84 -43.93 78.37 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.884 0.328 . . . . 43.990000000000002 111.884 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.48 -47.14 93.03 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 C-N-CA 119.017 -1.073 . . . . 41.869999999999997 112.759 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.53 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.704 -0.798 . . . . 41.399999999999999 111.221 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.75 -32.61 66.84 Favored Glycine 0 C--O 1.218 -0.853 0 C-N-CA 120.086 -1.055 . . . . 49.149999999999999 112.234 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mt -84.27 -40.1 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 113.692 0.997 . . . . 65.700000000000003 113.692 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -95.64 -19.55 19.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.01 1.115 . . . . 60.869999999999997 114.01 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -115.58 -65.43 1.19 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.037 -1.065 . . . . 52.799999999999997 110.266 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -173.83 127.15 0.39 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.008 -0.738 . . . . 58.0 109.008 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.89 -50.75 67.53 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.359 0.874 . . . . 79.939999999999998 113.359 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.56 -49.39 79.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 116.198 1.239 . . . . 50.009999999999998 116.198 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.56 74.93 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 122.287 -0.537 . . . . 58.060000000000002 112.03 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.82 94.18 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.931 -1.137 . . . . 49.359999999999999 107.931 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.93 97.13 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.276 -0.57 . . . . 53.840000000000003 111.566 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.03 -48.97 77.88 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.168 0.292 . . . . 90.790000000000006 110.813 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 97.3 m -58.54 -41.16 84.94 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.106 0.879 . . . . 55.82 109.384 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.84 91.41 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 114.963 0.745 . . . . 50.090000000000003 114.963 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -45.05 70.72 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.287 0.565 . . . . 53.369999999999997 109.698 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.51 -45.7 96.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 114.884 -1.053 . . . . 50.600000000000001 111.511 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . 0.772 ' OH ' ' O ' ' A' ' 302' ' ' HOH . 82.0 t80 -54.83 -49.56 70.74 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.979 0.912 . . . . 43.979999999999997 111.463 176.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.63 -41.2 88.71 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.059 -1.057 . . . . 49.609999999999999 113.187 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.92 -46.66 87.41 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.634 0.73 . . . . 75.329999999999998 112.141 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.61 71.66 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 114.814 -1.084 . . . . 54.219999999999999 112.371 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . 0.695 ' NH2' ' O ' ' A' ' 313' ' ' HOH . 33.0 mmt180 -66.96 -38.56 86.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.429 1.27 . . . . 48.079999999999998 114.429 176.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.13 -46.28 88.76 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 121.567 0.698 . . . . 60.789999999999999 110.031 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -65.05 -39.97 94.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.827 -0.624 . . . . 82.870000000000005 112.067 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.74 -50.05 69.33 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.802 0.334 . . . . 50.530000000000001 110.484 173.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.36 -49.35 74.24 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 121.8 -0.562 . . . . 58.659999999999997 111.208 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -55.69 -46.33 77.64 Favored 'General case' 0 C--O 1.275 2.421 0 N-CA-C 116.592 2.071 . . . . 75.129999999999995 116.592 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.11 -59.44 10.87 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.846 -0.902 . . . . 64.209999999999994 110.846 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.13 -43.0 63.78 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.903 -0.777 . . . . 66.989999999999995 108.903 -178.483 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.66 71.25 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.792 -0.763 . . . . 65.950000000000003 110.047 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -83.07 -43.54 16.17 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 117.176 -1.81 . . . . 95.670000000000002 111.36 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.3 p -163.62 141.3 7.44 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.39 -1.337 . . . . 68.590000000000003 107.39 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.28 18.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.694 0.627 . . . . 66.200000000000003 112.694 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -66.59 -33.34 75.45 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 120.703 -1.248 . . . . 65.819999999999993 113.963 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.09 -11.13 60.22 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.349 1.24 . . . . 62.979999999999997 114.349 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -73.46 -20.27 60.74 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.837 -0.801 . . . . 66.590000000000003 108.837 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.65 -47.02 67.63 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.954 2.575 . . . . 70.790000000000006 117.954 -167.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.64 -52.96 70.95 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.141 0.423 . . . . 59.539999999999999 112.141 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -65.03 -30.46 56.45 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 117.433 -1.244 . . . . 63.090000000000003 113.749 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.1 tp -53.7 -47.55 70.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.189 1.181 . . . . 56.520000000000003 114.189 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.38 -38.11 86.8 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 116.277 -0.42 . . . . 87.609999999999999 110.995 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.21 99.71 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.746 -0.782 . . . . 58.990000000000002 110.27 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -65.46 -37.56 87.22 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.441 -0.162 . . . . 51.600000000000001 111.017 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.34 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.385 0.513 . . . . 56.710000000000001 112.385 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -62.94 -43.86 97.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.186 -1.006 . . . . 98.620000000000005 110.362 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.07 99.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.983 -0.553 . . . . 50.869999999999997 111.184 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.87 -42.44 94.83 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.411 -0.813 . . . . 50.520000000000003 112.486 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -68.85 -30.16 68.62 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.634 -0.827 . . . . 70.989999999999995 111.165 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.89 -42.13 95.04 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.196 -1.002 . . . . 60.960000000000001 109.333 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.57 -43.41 89.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.963 -0.562 . . . . 47.520000000000003 110.725 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.38 -44.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.842 -0.617 . . . . 39.630000000000003 112.401 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.78 87.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.99 -0.55 . . . . 49.130000000000003 110.591 -177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.95 -43.81 82.19 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.892 -0.594 . . . . 43.829999999999998 110.413 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.777 -0.369 . . . . 45.590000000000003 110.877 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.21 97.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.962 0.726 . . . . 43.090000000000003 112.962 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.05 -44.16 89.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 119.815 -0.754 . . . . 54.219999999999999 110.985 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.12 -43.92 96.72 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.359 -0.448 . . . . 46.630000000000003 112.427 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.0 -40.16 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.004 -0.678 . . . . 50.25 111.482 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -44.82 92.77 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 122.135 -0.353 . . . . 70.180000000000007 111.076 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.44 80.49 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.97 0.891 . . . . 66.069999999999993 113.385 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.63 -45.21 72.48 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.686 1.365 . . . . 51.890000000000001 114.686 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -93.61 -29.61 15.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.796 1.776 . . . . 57.200000000000003 115.796 -171.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.74 -42.94 26.97 Favored Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 116.205 1.928 . . . . 62.119999999999997 116.205 -168.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -56.72 -53.86 4.55 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 116.118 1.545 . . . . 63.75 116.118 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.07 -38.41 65.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.159 0.8 . . . . 60.740000000000002 113.159 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.83 76.91 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.241 -0.583 . . . . 63.189999999999998 111.658 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.19 -42.99 99.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.555 0.693 . . . . 67.819999999999993 111.551 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -58.48 -46.72 86.07 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.36 -0.837 . . . . 116.86 112.654 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.725 0.641 . . . . 67.909999999999997 109.696 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.23 61.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.491 0.923 . . . . 75.459999999999994 113.491 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.73 -47.65 79.52 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 112.964 0.727 . . . . 70.560000000000002 112.964 170.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.446 1.276 . . . . 81.090000000000003 114.446 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -68.81 -32.77 74.3 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.808 -0.517 . . . . 82.25 111.808 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -12.88 61.94 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.272 0.629 . . . . 106.90000000000001 111.62 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -83.17 -25.81 31.49 Favored 'General case' 0 CA--C 1.56 1.359 1 N-CA-C 126.491 5.738 . . . . 105.0 126.491 -157.24 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . 0.459 0.0 OUTLIER 69.28 25.69 5.56 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 125.257 3.662 . . . . 130.58000000000001 119.428 29.407 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . 0.267 1.1 p 1.87 -154.25 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.779 2 N-CA-C 125.986 5.55 . . . . 111.95999999999999 125.986 28.072 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.878 1.066 . . . . 110.41 113.878 173.89 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' PAM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GTX . . . . . 0.471 ' CD1' ' N3 ' ' A' ' 209' ' ' GTX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.772 ' O ' ' OH ' ' A' ' 86' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.765 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . 0.876 ' O ' ' OE1' ' A' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . 0.695 ' O ' ' NH2' ' A' ' 90' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . 0.575 ' O ' ' NH2' ' A' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.659 0.266 . . . . 145.52000000000001 110.554 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -103.63 13.17 33.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.105 -0.498 . . . . 148.88999999999999 112.095 173.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -55.28 -40.93 71.61 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.065 0.228 . . . . 103.86 111.457 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.765 ' O ' ' O ' ' A' ' 303' ' ' HOH . 2.6 m-20 -62.17 -32.5 73.12 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.029 0.381 . . . . 115.14 112.029 -176.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.6 -9.55 59.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 119.825 -0.75 . . . . 133.00999999999999 110.993 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.36 7.79 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.109 1.892 . . . . 68.0 116.109 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.48 78.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.898 0.703 . . . . 56.0 112.898 -173.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.25 -38.36 75.12 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.76 -1.176 . . . . 54.299999999999997 111.38 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -42.19 98.07 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.635 -0.876 . . . . 40.390000000000001 108.635 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.59 91.52 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 112.281 0.475 . . . . 40.770000000000003 112.281 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.15 77.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.751 -0.659 . . . . 42.020000000000003 112.55 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.51 -40.8 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.423 0.63 . . . . 42.579999999999998 111.53 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -55.53 -48.27 74.96 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.71 -0.677 . . . . 34.649999999999999 112.217 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.82 -41.22 95.93 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.5 -0.773 . . . . 44.899999999999999 109.959 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.0 tp -57.13 -40.14 76.54 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.436 -0.347 . . . . 63.100000000000001 111.909 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.16 96.26 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.78 -0.928 . . . . 47.439999999999998 110.78 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.58 -49.22 85.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 C-N-CA 119.718 -0.793 . . . . 44.57 110.148 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.64 -44.11 76.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.435 0.902 . . . . 48.460000000000001 113.435 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.37 -41.46 97.13 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 112.495 0.554 . . . . 45.619999999999997 112.495 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . 0.876 ' OE1' ' O ' ' A' ' 307' ' ' HOH . 30.7 mm100 -63.32 -39.07 93.53 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.691 0.758 . . . . 50.210000000000001 112.304 176.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.43 99.55 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.832 -1.076 . . . . 47.469999999999999 108.427 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.65 -45.74 88.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.346 -1.297 . . . . 78.269999999999996 111.511 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -58.42 -44.41 89.08 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.717 -0.674 . . . . 51.240000000000002 110.797 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -60.0 -44.07 94.78 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 112.69 0.626 . . . . 58.030000000000001 112.69 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.02 -35.17 79.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.372 -0.931 . . . . 72.230000000000004 109.998 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.68 -37.83 88.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 119.731 -0.788 . . . . 80.010000000000005 112.085 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.53 -42.78 96.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 118.808 -0.615 . . . . 59.079999999999998 110.41 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.33 -39.17 81.77 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 C-N-CA 118.962 -1.095 . . . . 74.870000000000005 110.949 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 t -64.82 -40.05 94.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.412 -0.813 . . . . 80.819999999999993 112.389 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.91 76.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.891 -1.124 . . . . 66.950000000000003 111.357 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -59.24 -38.31 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.038 0.385 . . . . 74.060000000000002 112.038 174.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -73.7 -57.08 4.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.336 0.865 . . . . 122.43000000000001 113.336 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -49.18 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.599 2.074 . . . . 98.109999999999999 116.599 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . 0.63 ' HB3' ' HG2' ' A' ' 43' ' ' PRO . 50.1 m-85 -104.38 18.37 22.29 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.241 0.473 . . . . 99.25 110.883 -173.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 314' ' ' HOH . 13.8 mmt-85 50.26 65.86 1.32 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.295 0.997 . . . . 121.47 112.042 173.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -121.16 117.32 52.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 119.512 -0.875 . . . . 88.790000000000006 110.499 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.6 p -102.4 140.9 21.54 Favored Pre-proline 0 C--O 1.221 -0.432 0 CA-C-O 118.602 -0.713 . . . . 91.680000000000007 109.175 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' PRO . 51.0 Cg_exo -60.01 142.96 99.54 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 C-N-CA 124.053 3.169 . . . . 83.189999999999998 115.583 172.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' PRO . 73.0 Cg_endo -76.23 -156.34 1.2 Allowed 'Cis proline' 0 C--N 1.363 1.329 0 N-CA-C 106.717 -2.07 . . . . 84.349999999999994 106.717 0.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 4.9 tp 90.8 125.77 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 103.946 -2.612 . . . . 99.890000000000001 103.946 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.7 p -134.9 18.63 3.49 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.518 -1.66 . . . . 82.849999999999994 106.518 -165.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 p -108.87 145.05 35.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 113.828 -1.533 . . . . 80.730000000000004 109.454 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.53 -157.04 19.75 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 108.818 -1.713 . . . . 61.259999999999998 108.818 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 33' ' ' PHE . 12.4 Cg_exo -52.78 153.12 15.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 121.654 1.569 . . . . 68.290000000000006 110.399 175.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -48.19 -44.14 29.46 Favored 'Trans proline' 0 C--O 1.213 -0.736 0 C-N-CA 124.23 3.286 . . . . 84.200000000000003 114.409 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -64.37 -37.82 88.86 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 118.722 0.692 . . . . 94.140000000000001 112.654 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -67.46 -44.54 78.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.441 -0.948 . . . . 68.310000000000002 108.441 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.62 -33.73 76.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 119.674 -0.811 . . . . 71.299999999999997 109.79 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -67.52 -41.14 84.89 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.416 -0.326 . . . . 75.730000000000004 111.227 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.52 -45.49 85.18 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 122.042 0.925 . . . . 61.780000000000001 111.403 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -56.01 -45.33 79.11 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.713 -1.585 . . . . 62.82 111.322 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -72.71 -35.51 67.61 Favored 'General case' 0 C--O 1.257 1.495 0 CA-C-N 113.412 -1.722 . . . . 83.049999999999997 110.333 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.33 99.14 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.377 1.084 . . . . 48.490000000000002 109.993 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.24 -48.14 71.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.857 -1.52 . . . . 48.590000000000003 111.769 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.07 -45.25 76.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 112.442 0.534 . . . . 41.740000000000002 112.442 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . 0.655 ' ND2' HA31 ' A' ' 209' ' ' GTX . 24.9 m-20 -68.13 -41.32 81.87 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 119.06 -1.056 . . . . 81.489999999999995 110.616 -177.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.8 -46.55 88.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 118.955 -1.098 . . . . 53.82 111.018 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -57.21 -42.43 81.32 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.403 0.89 . . . . 48.399999999999999 113.403 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.0 -39.12 90.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 109.137 -0.69 . . . . 75.25 109.137 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.71 -14.3 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.355 1.242 . . . . 82.790000000000006 114.355 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.9 -41.3 81.19 Favored Pre-proline 0 CA--C 1.569 1.673 0 N-CA-C 114.09 1.144 . . . . 43.18 114.09 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -66.8 -26.83 44.68 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 114.003 0.732 . . . . 42.659999999999997 114.003 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.4 -43.41 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.394 -1.322 . . . . 42.100000000000001 108.16 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.87 -52.34 65.5 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.933 -1.485 . . . . 39.590000000000003 111.842 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.11 -49.34 76.21 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 114.673 1.36 . . . . 48.100000000000001 114.673 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.88 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 40.299999999999997 110.941 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.0 p -75.94 -35.41 59.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 119.451 -0.9 . . . . 62.380000000000003 109.811 -171.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 tp -55.61 -50.88 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.214 -1.032 . . . . 42.729999999999997 108.214 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.84 -43.93 78.37 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.884 0.328 . . . . 43.990000000000002 111.884 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.48 -47.14 93.03 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 C-N-CA 119.017 -1.073 . . . . 41.869999999999997 112.759 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.53 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.704 -0.798 . . . . 41.399999999999999 111.221 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.75 -32.61 66.84 Favored Glycine 0 C--O 1.218 -0.853 0 C-N-CA 120.086 -1.055 . . . . 49.149999999999999 112.234 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mt -84.27 -40.1 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 113.692 0.997 . . . . 65.700000000000003 113.692 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -95.64 -19.55 19.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.01 1.115 . . . . 60.869999999999997 114.01 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -115.58 -65.43 1.19 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.037 -1.065 . . . . 52.799999999999997 110.266 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -173.83 127.15 0.39 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.008 -0.738 . . . . 58.0 109.008 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.89 -50.75 67.53 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.359 0.874 . . . . 79.939999999999998 113.359 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . 0.447 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . -59.56 -49.39 79.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 116.198 1.239 . . . . 50.009999999999998 116.198 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.56 74.93 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 122.287 -0.537 . . . . 58.060000000000002 112.03 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.82 94.18 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.931 -1.137 . . . . 49.359999999999999 107.931 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.93 97.13 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.276 -0.57 . . . . 53.840000000000003 111.566 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 77' ' ' GLY . 96.3 mt -62.03 -48.97 77.88 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.168 0.292 . . . . 90.790000000000006 110.813 179.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 97.3 m -58.54 -41.16 84.94 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.106 0.879 . . . . 55.82 109.384 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.84 91.41 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 114.963 0.745 . . . . 50.090000000000003 114.963 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -45.05 70.72 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.287 0.565 . . . . 53.369999999999997 109.698 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.51 -45.7 96.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 114.884 -1.053 . . . . 50.600000000000001 111.511 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.83 -49.56 70.74 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.979 0.912 . . . . 43.979999999999997 111.463 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.63 -41.2 88.71 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.059 -1.057 . . . . 49.609999999999999 113.187 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.92 -46.66 87.41 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.634 0.73 . . . . 75.329999999999998 112.141 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.61 71.66 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 114.814 -1.084 . . . . 54.219999999999999 112.371 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 313' ' ' HOH . 33.0 mmt180 -66.96 -38.56 86.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.429 1.27 . . . . 48.079999999999998 114.429 176.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.13 -46.28 88.76 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 121.567 0.698 . . . . 60.789999999999999 110.031 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -65.05 -39.97 94.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.827 -0.624 . . . . 82.870000000000005 112.067 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . 0.42 ' HA ' ' HG2' ' A' ' 107' ' ' PRO . 38.1 t80 -54.74 -50.05 69.33 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.802 0.334 . . . . 50.530000000000001 110.484 173.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.36 -49.35 74.24 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 121.8 -0.562 . . . . 58.659999999999997 111.208 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -55.69 -46.33 77.64 Favored 'General case' 0 C--O 1.275 2.421 0 N-CA-C 116.592 2.071 . . . . 75.129999999999995 116.592 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.11 -59.44 10.87 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.846 -0.902 . . . . 64.209999999999994 110.846 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.13 -43.0 63.78 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.903 -0.777 . . . . 66.989999999999995 108.903 -178.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.66 71.25 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.792 -0.763 . . . . 65.950000000000003 110.047 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -83.07 -43.54 16.17 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 117.176 -1.81 . . . . 95.670000000000002 111.36 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB2' ' O4 ' ' A' ' 202' ' ' SO4 . 98.3 p -163.62 141.3 7.44 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.39 -1.337 . . . . 68.590000000000003 107.39 -178.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.28 18.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.694 0.627 . . . . 66.200000000000003 112.694 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -66.59 -33.34 75.45 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 120.703 -1.248 . . . . 65.819999999999993 113.963 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.09 -11.13 60.22 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.349 1.24 . . . . 62.979999999999997 114.349 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -73.46 -20.27 60.74 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.837 -0.801 . . . . 66.590000000000003 108.837 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.65 -47.02 67.63 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.954 2.575 . . . . 70.790000000000006 117.954 -167.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.64 -52.96 70.95 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.141 0.423 . . . . 59.539999999999999 112.141 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HG2' ' HA ' ' A' ' 93' ' ' TYR . 21.4 Cg_endo -65.03 -30.46 56.45 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 117.433 -1.244 . . . . 63.090000000000003 113.749 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.1 tp -53.7 -47.55 70.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.189 1.181 . . . . 56.520000000000003 114.189 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.38 -38.11 86.8 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 116.277 -0.42 . . . . 87.609999999999999 110.995 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.21 99.71 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.746 -0.782 . . . . 58.990000000000002 110.27 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -65.46 -37.56 87.22 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.441 -0.162 . . . . 51.600000000000001 111.017 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 116' ' ' TRP . . . -69.05 -38.34 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.385 0.513 . . . . 56.710000000000001 112.385 179.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -62.94 -43.86 97.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.186 -1.006 . . . . 98.620000000000005 110.362 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.07 99.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.983 -0.553 . . . . 50.869999999999997 111.184 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.87 -42.44 94.83 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.411 -0.813 . . . . 50.520000000000003 112.486 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TRP . . . . . 0.516 ' CE2' HS52 ' A' ' 209' ' ' GTX . 96.9 m95 -68.85 -30.16 68.62 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.634 -0.827 . . . . 70.989999999999995 111.165 177.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.89 -42.13 95.04 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.196 -1.002 . . . . 60.960000000000001 109.333 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.57 -43.41 89.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.963 -0.562 . . . . 47.520000000000003 110.725 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.38 -44.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.842 -0.617 . . . . 39.630000000000003 112.401 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.78 87.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.99 -0.55 . . . . 49.130000000000003 110.591 -177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.95 -43.81 82.19 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.892 -0.594 . . . . 43.829999999999998 110.413 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.777 -0.369 . . . . 45.590000000000003 110.877 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.21 97.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.962 0.726 . . . . 43.090000000000003 112.962 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.05 -44.16 89.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 119.815 -0.754 . . . . 54.219999999999999 110.985 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.12 -43.92 96.72 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.359 -0.448 . . . . 46.630000000000003 112.427 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.0 -40.16 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.004 -0.678 . . . . 50.25 111.482 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -44.82 92.77 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 122.135 -0.353 . . . . 70.180000000000007 111.076 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.44 80.49 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.97 0.891 . . . . 66.069999999999993 113.385 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.63 -45.21 72.48 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.686 1.365 . . . . 51.890000000000001 114.686 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -93.61 -29.61 15.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.796 1.776 . . . . 57.200000000000003 115.796 -171.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.74 -42.94 26.97 Favored Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 116.205 1.928 . . . . 62.119999999999997 116.205 -168.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -56.72 -53.86 4.55 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 116.118 1.545 . . . . 63.75 116.118 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.07 -38.41 65.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.159 0.8 . . . . 60.740000000000002 113.159 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.83 76.91 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.241 -0.583 . . . . 63.189999999999998 111.658 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.19 -42.99 99.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.555 0.693 . . . . 67.819999999999993 111.551 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -58.48 -46.72 86.07 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.36 -0.837 . . . . 116.86 112.654 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.725 0.641 . . . . 67.909999999999997 109.696 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.23 61.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.491 0.923 . . . . 75.459999999999994 113.491 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.73 -47.65 79.52 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 112.964 0.727 . . . . 70.560000000000002 112.964 170.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.446 1.276 . . . . 81.090000000000003 114.446 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' ARG . . . -68.81 -32.77 74.3 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.808 -0.517 . . . . 82.25 111.808 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -12.88 61.94 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.272 0.629 . . . . 106.90000000000001 111.62 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' LEU . . . . . 0.458 ' N ' ' HB2' ' A' ' 144' ' ' ARG 0.256 0.7 OUTLIER -83.17 -25.81 31.49 Favored 'General case' 0 CA--C 1.56 1.359 1 N-CA-C 126.491 5.738 . . . . 105.0 126.491 -157.24 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ARG . . . . . 0.551 HH11 ' HG2' ' A' ' 144' ' ' ARG 0.459 0.0 OUTLIER 69.28 25.69 5.56 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 125.257 3.662 . . . . 130.58000000000001 119.428 29.407 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . 0.267 1.1 p 1.87 -154.25 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.779 2 N-CA-C 125.986 5.55 . . . . 111.95999999999999 125.986 28.072 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.878 1.066 . . . . 110.41 113.878 173.89 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . 0.448 ' O4 ' ' HB2' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' PAM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GTX . . . . . 0.655 HA31 ' ND2' ' A' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . 0.765 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . 0.876 ' O ' ' OE1' ' A' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . 0.609 ' O ' ' NH2' ' A' ' 90' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . 0.575 ' O ' ' NH2' ' A' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.659 0.266 . . . . 145.52000000000001 110.554 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -103.63 13.17 33.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.105 -0.498 . . . . 148.88999999999999 112.095 173.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -55.28 -40.93 71.61 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.065 0.228 . . . . 103.86 111.457 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.765 ' O ' ' O ' ' A' ' 303' ' ' HOH . 2.6 m-20 -62.17 -32.5 73.12 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.029 0.381 . . . . 115.14 112.029 -176.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.6 -9.55 59.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 119.825 -0.75 . . . . 133.00999999999999 110.993 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.36 7.79 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.109 1.892 . . . . 68.0 116.109 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.48 78.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.898 0.703 . . . . 56.0 112.898 -173.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.25 -38.36 75.12 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 118.76 -1.176 . . . . 54.299999999999997 111.38 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -42.19 98.07 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.635 -0.876 . . . . 40.390000000000001 108.635 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.59 91.52 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 112.281 0.475 . . . . 40.770000000000003 112.281 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.15 77.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.751 -0.659 . . . . 42.020000000000003 112.55 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.51 -40.8 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.423 0.63 . . . . 42.579999999999998 111.53 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -55.53 -48.27 74.96 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.71 -0.677 . . . . 34.649999999999999 112.217 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.82 -41.22 95.93 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.5 -0.773 . . . . 44.899999999999999 109.959 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.0 tp -57.13 -40.14 76.54 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.436 -0.347 . . . . 63.100000000000001 111.909 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.16 96.26 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.78 -0.928 . . . . 47.439999999999998 110.78 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.58 -49.22 85.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 C-N-CA 119.718 -0.793 . . . . 44.57 110.148 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.64 -44.11 76.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.435 0.902 . . . . 48.460000000000001 113.435 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.37 -41.46 97.13 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 112.495 0.554 . . . . 45.619999999999997 112.495 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.876 ' OE1' ' O ' ' A' ' 307' ' ' HOH . 30.7 mm100 -63.32 -39.07 93.53 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.691 0.758 . . . . 50.210000000000001 112.304 176.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.43 99.55 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.832 -1.076 . . . . 47.469999999999999 108.427 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.65 -45.74 88.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.346 -1.297 . . . . 78.269999999999996 111.511 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -58.42 -44.41 89.08 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.717 -0.674 . . . . 51.240000000000002 110.797 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -60.0 -44.07 94.78 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 112.69 0.626 . . . . 58.030000000000001 112.69 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.02 -35.17 79.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.372 -0.931 . . . . 72.230000000000004 109.998 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.68 -37.83 88.81 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 119.731 -0.788 . . . . 80.010000000000005 112.085 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.53 -42.78 96.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-O 118.808 -0.615 . . . . 59.079999999999998 110.41 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.33 -39.17 81.77 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 C-N-CA 118.962 -1.095 . . . . 74.870000000000005 110.949 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 t -64.82 -40.05 94.58 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.412 -0.813 . . . . 80.819999999999993 112.389 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.91 76.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.891 -1.124 . . . . 66.950000000000003 111.357 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -59.24 -38.31 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.038 0.385 . . . . 74.060000000000002 112.038 174.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -73.7 -57.08 4.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.336 0.865 . . . . 122.43000000000001 113.336 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -49.18 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.599 2.074 . . . . 98.109999999999999 116.599 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.63 ' HB3' ' HG2' ' A' ' 43' ' ' PRO . 50.1 m-85 -104.38 18.37 22.29 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.241 0.473 . . . . 99.25 110.883 -173.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 314' ' ' HOH . 13.8 mmt-85 50.26 65.86 1.32 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.295 0.997 . . . . 121.47 112.042 173.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -121.16 117.32 52.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 119.512 -0.875 . . . . 88.790000000000006 110.499 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.6 p -102.4 140.9 21.54 Favored Pre-proline 0 C--O 1.221 -0.432 0 CA-C-O 118.602 -0.713 . . . . 91.680000000000007 109.175 -175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' PRO . 51.0 Cg_exo -60.01 142.96 99.54 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 C-N-CA 124.053 3.169 . . . . 83.189999999999998 115.583 172.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' PRO . 73.0 Cg_endo -76.23 -156.34 1.2 Allowed 'Cis proline' 0 C--N 1.363 1.329 0 N-CA-C 106.717 -2.07 . . . . 84.349999999999994 106.717 0.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 4.9 tp 90.8 125.77 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 103.946 -2.612 . . . . 99.890000000000001 103.946 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.7 p -134.9 18.63 3.49 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.518 -1.66 . . . . 82.849999999999994 106.518 -165.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 p -108.87 145.05 35.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 113.828 -1.533 . . . . 80.730000000000004 109.454 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.53 -157.04 19.75 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 108.818 -1.713 . . . . 61.259999999999998 108.818 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 33' ' ' PHE . 12.4 Cg_exo -52.78 153.12 15.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 121.654 1.569 . . . . 68.290000000000006 110.399 175.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -48.19 -44.14 29.46 Favored 'Trans proline' 0 C--O 1.213 -0.736 0 C-N-CA 124.23 3.286 . . . . 84.200000000000003 114.409 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -64.37 -37.82 88.86 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 118.722 0.692 . . . . 94.140000000000001 112.654 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -67.46 -44.54 78.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.441 -0.948 . . . . 68.310000000000002 108.441 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.62 -33.73 76.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 119.674 -0.811 . . . . 71.299999999999997 109.79 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -67.52 -41.14 84.89 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 119.416 -0.326 . . . . 75.730000000000004 111.227 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.52 -45.49 85.18 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 122.042 0.925 . . . . 61.780000000000001 111.403 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -56.01 -45.33 79.11 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.713 -1.585 . . . . 62.82 111.322 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -72.71 -35.51 67.61 Favored 'General case' 0 C--O 1.257 1.495 0 CA-C-N 113.412 -1.722 . . . . 83.049999999999997 110.333 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.33 99.14 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.377 1.084 . . . . 48.490000000000002 109.993 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.24 -48.14 71.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.857 -1.52 . . . . 48.590000000000003 111.769 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.07 -45.25 76.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 112.442 0.534 . . . . 41.740000000000002 112.442 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.655 ' ND2' HA31 ' A' ' 209' ' ' GTX . 24.9 m-20 -68.13 -41.32 81.87 Favored 'General case' 0 C--O 1.254 1.312 0 C-N-CA 119.06 -1.056 . . . . 81.489999999999995 110.616 -177.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.8 -46.55 88.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 118.955 -1.098 . . . . 53.82 111.018 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -57.21 -42.43 81.32 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.403 0.89 . . . . 48.399999999999999 113.403 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -66.0 -39.12 90.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 109.137 -0.69 . . . . 75.25 109.137 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.71 -14.3 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.355 1.242 . . . . 82.790000000000006 114.355 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -60.9 -41.3 81.19 Favored Pre-proline 0 CA--C 1.569 1.673 0 N-CA-C 114.09 1.144 . . . . 43.18 114.09 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -66.8 -26.83 44.68 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 114.003 0.732 . . . . 42.659999999999997 114.003 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.4 -43.41 77.34 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.394 -1.322 . . . . 42.100000000000001 108.16 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.87 -52.34 65.5 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.933 -1.485 . . . . 39.590000000000003 111.842 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.11 -49.34 76.21 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 114.673 1.36 . . . . 48.100000000000001 114.673 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.88 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 40.299999999999997 110.941 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.0 p -75.94 -35.41 59.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 119.451 -0.9 . . . . 62.380000000000003 109.811 -171.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 tp -55.61 -50.88 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.214 -1.032 . . . . 42.729999999999997 108.214 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -67.84 -43.93 78.37 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.884 0.328 . . . . 43.990000000000002 111.884 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.48 -47.14 93.03 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 C-N-CA 119.017 -1.073 . . . . 41.869999999999997 112.759 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.53 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.704 -0.798 . . . . 41.399999999999999 111.221 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.75 -32.61 66.84 Favored Glycine 0 C--O 1.218 -0.853 0 C-N-CA 120.086 -1.055 . . . . 49.149999999999999 112.234 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mt -84.27 -40.1 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 113.692 0.997 . . . . 65.700000000000003 113.692 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -95.64 -19.55 19.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 114.01 1.115 . . . . 60.869999999999997 114.01 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -115.58 -65.43 1.19 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.037 -1.065 . . . . 52.799999999999997 110.266 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -173.83 127.15 0.39 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.008 -0.738 . . . . 58.0 109.008 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.89 -50.75 67.53 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.359 0.874 . . . . 79.939999999999998 113.359 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.447 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . -59.56 -49.39 79.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 116.198 1.239 . . . . 50.009999999999998 116.198 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.56 74.93 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 122.287 -0.537 . . . . 58.060000000000002 112.03 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.82 94.18 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.931 -1.137 . . . . 49.359999999999999 107.931 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.93 97.13 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.276 -0.57 . . . . 53.840000000000003 111.566 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 77' ' ' GLY . 96.3 mt -62.03 -48.97 77.88 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.168 0.292 . . . . 90.790000000000006 110.813 179.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 97.3 m -58.54 -41.16 84.94 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 124.106 0.879 . . . . 55.82 109.384 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.84 91.41 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 114.963 0.745 . . . . 50.090000000000003 114.963 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -45.05 70.72 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.287 0.565 . . . . 53.369999999999997 109.698 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.51 -45.7 96.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.989 0 CA-C-N 114.884 -1.053 . . . . 50.600000000000001 111.511 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -54.83 -49.56 70.74 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.979 0.912 . . . . 43.979999999999997 111.463 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.63 -41.2 88.71 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.059 -1.057 . . . . 49.609999999999999 113.187 -176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.92 -46.66 87.41 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.634 0.73 . . . . 75.329999999999998 112.141 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.05 -41.61 71.66 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 114.814 -1.084 . . . . 54.219999999999999 112.371 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 313' ' ' HOH . 33.0 mmt180 -66.96 -38.56 86.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.429 1.27 . . . . 48.079999999999998 114.429 176.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.13 -46.28 88.76 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-O 121.567 0.698 . . . . 60.789999999999999 110.031 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -65.05 -39.97 94.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.827 -0.624 . . . . 82.870000000000005 112.067 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.42 ' HA ' ' HG2' ' A' ' 107' ' ' PRO . 38.1 t80 -54.74 -50.05 69.33 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.802 0.334 . . . . 50.530000000000001 110.484 173.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.36 -49.35 74.24 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 121.8 -0.562 . . . . 58.659999999999997 111.208 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -55.69 -46.33 77.64 Favored 'General case' 0 C--O 1.275 2.421 0 N-CA-C 116.592 2.071 . . . . 75.129999999999995 116.592 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.11 -59.44 10.87 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.846 -0.902 . . . . 64.209999999999994 110.846 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.13 -43.0 63.78 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.903 -0.777 . . . . 66.989999999999995 108.903 -178.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.66 71.25 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 119.792 -0.763 . . . . 65.950000000000003 110.047 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -83.07 -43.54 16.17 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 117.176 -1.81 . . . . 95.670000000000002 111.36 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB2' ' O4 ' ' A' ' 202' ' ' SO4 . 98.3 p -163.62 141.3 7.44 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.39 -1.337 . . . . 68.590000000000003 107.39 -178.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.28 18.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.694 0.627 . . . . 66.200000000000003 112.694 171.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -66.59 -33.34 75.45 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 120.703 -1.248 . . . . 65.819999999999993 113.963 -175.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.09 -11.13 60.22 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.349 1.24 . . . . 62.979999999999997 114.349 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -73.46 -20.27 60.74 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.837 -0.801 . . . . 66.590000000000003 108.837 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.65 -47.02 67.63 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.954 2.575 . . . . 70.790000000000006 117.954 -167.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.64 -52.96 70.95 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.141 0.423 . . . . 59.539999999999999 112.141 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HG2' ' HA ' ' A' ' 93' ' ' TYR . 21.4 Cg_endo -65.03 -30.46 56.45 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 117.433 -1.244 . . . . 63.090000000000003 113.749 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.1 tp -53.7 -47.55 70.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.189 1.181 . . . . 56.520000000000003 114.189 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.38 -38.11 86.8 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 116.277 -0.42 . . . . 87.609999999999999 110.995 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.21 99.71 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.746 -0.782 . . . . 58.990000000000002 110.27 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -65.46 -37.56 87.22 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.441 -0.162 . . . . 51.600000000000001 111.017 -178.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 116' ' ' TRP . . . -69.05 -38.34 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.385 0.513 . . . . 56.710000000000001 112.385 179.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -62.94 -43.86 97.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.186 -1.006 . . . . 98.620000000000005 110.362 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.07 99.39 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.983 -0.553 . . . . 50.869999999999997 111.184 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.87 -42.44 94.83 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.411 -0.813 . . . . 50.520000000000003 112.486 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.516 ' CE2' HS52 ' A' ' 209' ' ' GTX . 96.9 m95 -68.85 -30.16 68.62 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 119.634 -0.827 . . . . 70.989999999999995 111.165 177.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.89 -42.13 95.04 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.196 -1.002 . . . . 60.960000000000001 109.333 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.57 -43.41 89.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.963 -0.562 . . . . 47.520000000000003 110.725 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.38 -44.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.842 -0.617 . . . . 39.630000000000003 112.401 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.57 -38.78 87.79 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.99 -0.55 . . . . 49.130000000000003 110.591 -177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.95 -43.81 82.19 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.892 -0.594 . . . . 43.829999999999998 110.413 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.29 -49.35 74.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.777 -0.369 . . . . 45.590000000000003 110.877 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.21 97.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.962 0.726 . . . . 43.090000000000003 112.962 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.05 -44.16 89.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 119.815 -0.754 . . . . 54.219999999999999 110.985 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.12 -43.92 96.72 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.359 -0.448 . . . . 46.630000000000003 112.427 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.0 -40.16 90.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.004 -0.678 . . . . 50.25 111.482 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -44.82 92.77 Favored 'General case' 0 C--O 1.242 0.676 0 O-C-N 122.135 -0.353 . . . . 70.180000000000007 111.076 176.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.44 80.49 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.97 0.891 . . . . 66.069999999999993 113.385 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.63 -45.21 72.48 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.686 1.365 . . . . 51.890000000000001 114.686 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -93.61 -29.61 15.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.796 1.776 . . . . 57.200000000000003 115.796 -171.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.74 -42.94 26.97 Favored Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 116.205 1.928 . . . . 62.119999999999997 116.205 -168.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -56.72 -53.86 4.55 Favored 'Trans proline' 0 C--N 1.351 0.699 0 N-CA-C 116.118 1.545 . . . . 63.75 116.118 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.07 -38.41 65.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.159 0.8 . . . . 60.740000000000002 113.159 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.83 76.91 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.241 -0.583 . . . . 63.189999999999998 111.658 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.19 -42.99 99.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.555 0.693 . . . . 67.819999999999993 111.551 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -58.48 -46.72 86.07 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.36 -0.837 . . . . 116.86 112.654 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.725 0.641 . . . . 67.909999999999997 109.696 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.23 61.79 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.491 0.923 . . . . 75.459999999999994 113.491 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 42.9 mt -56.73 -47.65 79.52 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 112.964 0.727 . . . . 70.560000000000002 112.964 170.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.446 1.276 . . . . 81.090000000000003 114.446 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 144' ' ' ARG . . . -68.81 -32.77 74.3 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.808 -0.517 . . . . 82.25 111.808 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -12.88 61.94 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.272 0.629 . . . . 106.90000000000001 111.62 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.458 ' N ' ' HB2' ' A' ' 144' ' ' ARG 0.256 0.7 OUTLIER -83.17 -25.81 31.49 Favored 'General case' 0 CA--C 1.56 1.359 1 N-CA-C 126.491 5.738 . . . . 105.0 126.491 -157.24 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.551 HH11 ' HG2' ' A' ' 144' ' ' ARG 0.459 0.0 OUTLIER 69.28 25.69 5.56 Favored 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 125.257 3.662 . . . . 130.58000000000001 119.428 29.407 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . 0.267 1.1 p 1.87 -154.25 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.779 2 N-CA-C 125.986 5.55 . . . . 111.95999999999999 125.986 28.072 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.878 1.066 . . . . 110.41 113.878 173.89 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . 0.448 ' O4 ' ' HB2' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' PAM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GTX . . . . . 0.655 HA31 ' ND2' ' A' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.765 ' O ' ' O ' ' A' ' 3' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . 0.876 ' O ' ' OE1' ' A' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . 0.609 ' O ' ' NH2' ' A' ' 90' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . 0.575 ' O ' ' NH2' ' A' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_