==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE INHIBITOR/PEPTIDE 23-JUN-99 1QJA . COMPND 2 MOLECULE: 14-3-3 PROTEIN ZETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.RITTINGER,J.BUDMAN,J.XU,S.VOLINIA,L.C.CANTLEY,S.J.SMERDON, . 458 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 3 1 0 3 1 1 2 2 0 1 0 0 0 1 0 1 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 110 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-172.9 -4.7 9.0 50.0 2 2 A D > - 0 0 103 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.532 360.0-102.6 -92.7 167.1 -6.5 7.3 47.1 3 3 A K H > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.908 122.7 45.9 -51.3 -55.0 -4.9 4.4 45.2 4 4 A N H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 114.5 48.3 -55.2 -45.7 -4.0 6.5 42.1 5 5 A E H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.888 111.6 50.2 -63.2 -43.4 -2.6 9.2 44.4 6 6 A L H X S+ 0 0 16 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.916 111.0 48.2 -62.3 -45.3 -0.6 6.6 46.3 7 7 A V H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.926 113.1 48.7 -58.0 -45.3 0.8 5.2 43.1 8 8 A Q H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.906 112.1 48.6 -61.0 -43.2 1.6 8.7 42.0 9 9 A K H X S+ 0 0 41 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.894 107.6 55.3 -67.8 -33.4 3.3 9.5 45.4 10 10 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.915 107.5 50.4 -63.9 -39.3 5.3 6.2 45.1 11 11 A K H X S+ 0 0 78 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.881 111.5 46.6 -64.3 -43.3 6.6 7.3 41.8 12 12 A L H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.906 111.9 50.8 -65.3 -42.4 7.7 10.7 43.2 13 13 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.913 108.6 53.6 -58.1 -45.8 9.3 9.0 46.2 14 14 A E H ><5S+ 0 0 56 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.961 109.4 46.3 -53.6 -53.8 11.1 6.8 43.8 15 15 A Q H 3<5S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 114.3 48.9 -59.6 -32.6 12.5 9.8 41.9 16 16 A A T 3<5S- 0 0 2 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.365 110.8-123.7 -87.6 3.4 13.4 11.4 45.2 17 17 A E T < 5 + 0 0 137 -3,-1.7 2,-0.7 -4,-0.4 -3,-0.2 0.878 66.8 139.7 55.2 42.7 15.1 8.2 46.4 18 18 A R >< + 0 0 31 -5,-2.8 4,-1.8 1,-0.2 -1,-0.2 -0.787 20.0 166.8-111.9 71.2 12.8 8.2 49.5 19 19 A Y H > + 0 0 52 -2,-0.7 4,-3.2 2,-0.2 5,-0.2 0.813 68.2 59.3 -67.6 -29.7 12.3 4.4 49.4 20 20 A D H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 111.2 43.6 -61.6 -43.3 10.7 4.1 52.9 21 21 A D H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 113.2 52.8 -62.3 -43.7 8.0 6.5 51.7 22 22 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.954 111.3 45.4 -59.2 -48.1 7.8 4.6 48.4 23 23 A A H X S+ 0 0 4 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.877 109.2 55.2 -62.5 -43.3 7.3 1.4 50.2 24 24 A A H X S+ 0 0 56 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.913 110.2 47.4 -59.8 -40.6 4.7 2.8 52.6 25 25 A C H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 115.1 43.8 -60.2 -49.6 2.7 4.0 49.6 26 26 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.835 110.3 54.9 -69.9 -34.0 2.9 0.7 47.8 27 27 A K H X S+ 0 0 56 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.947 109.8 50.0 -62.2 -41.8 2.2 -1.3 51.0 28 28 A S H X S+ 0 0 47 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.925 109.6 48.1 -59.7 -46.5 -1.0 0.9 51.3 29 29 A V H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 5,-0.4 0.894 112.5 51.2 -59.6 -41.3 -2.1 0.2 47.7 30 30 A T H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.884 102.7 59.5 -63.9 -39.0 -1.5 -3.5 48.4 31 31 A E H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.616 89.6 70.4 -67.9 -10.4 -3.6 -3.4 51.6 32 32 A Q T << S- 0 0 108 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.608 101.6-133.5 -78.7 -13.6 -6.7 -2.3 49.7 33 33 A G < + 0 0 25 -3,-1.7 2,-0.1 -4,-0.3 -3,-0.1 0.300 60.0 129.6 82.6 -7.8 -6.8 -5.8 48.1 34 34 A A S S- 0 0 61 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.516 72.6 -93.9 -72.1 153.1 -7.4 -5.1 44.4 35 35 A E - 0 0 67 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.406 46.6-108.2 -61.9 142.6 -4.8 -7.0 42.3 36 36 A L - 0 0 9 -2,-0.1 -1,-0.1 4,-0.1 -6,-0.0 -0.470 24.2-127.5 -76.9 140.6 -1.8 -5.0 41.5 37 37 A S > - 0 0 50 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.180 32.5-103.7 -66.3 171.2 -1.2 -3.7 38.0 38 38 A N H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.902 126.2 49.9 -65.8 -41.8 2.2 -4.5 36.4 39 39 A E H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.961 113.1 46.4 -62.0 -48.5 3.3 -0.9 37.0 40 40 A E H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.889 109.7 54.2 -63.6 -37.9 2.1 -1.2 40.7 41 41 A R H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.907 109.6 47.4 -57.3 -45.0 3.9 -4.6 41.1 42 42 A N H X S+ 0 0 62 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.896 110.7 52.0 -68.0 -37.7 7.2 -3.1 39.9 43 43 A L H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.943 110.6 48.2 -66.2 -44.5 6.8 -0.1 42.2 44 44 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.935 115.0 44.8 -55.1 -55.9 6.2 -2.3 45.2 45 45 A S H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.879 112.9 48.9 -55.8 -49.9 9.2 -4.5 44.3 46 46 A V H X S+ 0 0 26 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.921 111.7 51.7 -59.3 -43.1 11.6 -1.6 43.6 47 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -24,-0.2 0.984 115.6 37.9 -58.7 -56.9 10.6 0.1 46.9 48 48 A Y H X S+ 0 0 9 -4,-2.2 4,-3.5 1,-0.2 5,-0.4 0.909 111.5 59.1 -67.3 -37.3 11.1 -2.9 49.2 49 49 A K H X S+ 0 0 28 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.936 112.6 40.6 -55.6 -48.3 14.2 -4.0 47.3 50 50 A N H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.886 115.6 50.3 -67.2 -37.1 15.8 -0.6 48.1 51 51 A V H X S+ 0 0 9 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.940 118.8 37.2 -65.1 -49.4 14.4 -0.5 51.7 52 52 A V H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.883 111.8 61.9 -70.5 -34.7 15.7 -4.0 52.5 53 53 A G H X S+ 0 0 21 -4,-2.5 4,-2.6 -5,-0.4 5,-0.3 0.888 99.6 53.7 -58.6 -42.7 18.9 -3.4 50.4 54 54 A A H X S+ 0 0 50 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.945 112.5 45.2 -57.3 -46.9 20.0 -0.6 52.6 55 55 A R H X S+ 0 0 43 -4,-1.2 4,-3.2 1,-0.2 5,-0.2 0.933 111.5 50.4 -67.2 -42.7 19.7 -2.9 55.6 56 56 A R H X S+ 0 0 15 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.877 112.6 47.8 -58.9 -41.9 21.4 -5.8 54.0 57 57 A S H X S+ 0 0 60 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.954 115.1 44.9 -66.8 -42.4 24.3 -3.6 53.0 58 58 A S H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.961 112.0 52.3 -64.1 -49.4 24.6 -2.1 56.5 59 59 A W H X S+ 0 0 44 -4,-3.2 4,-3.4 1,-0.2 5,-0.3 0.889 107.2 53.1 -51.8 -46.6 24.3 -5.5 58.1 60 60 A R H X S+ 0 0 89 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.936 111.1 47.0 -55.6 -48.4 27.1 -6.8 55.9 61 61 A V H X S+ 0 0 42 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.929 119.4 37.1 -56.8 -55.4 29.4 -3.9 57.1 62 62 A V H >X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 3,-0.6 0.933 113.7 54.9 -71.5 -40.8 28.6 -4.2 60.8 63 63 A S H 3< S+ 0 0 30 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.4 49.6 -59.7 -38.3 28.4 -8.0 60.8 64 64 A S H 3< S+ 0 0 100 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.759 108.8 50.6 -67.8 -31.3 31.9 -7.9 59.2 65 65 A I H << 0 0 82 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.944 360.0 360.0 -70.0 -46.0 33.2 -5.4 61.9 66 66 A E < 0 0 88 -4,-3.0 -3,-0.1 4,-0.2 3,-0.0 0.598 360.0 360.0 -73.2 360.0 31.8 -7.8 64.5 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 77 A Q > 0 0 174 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.6 29.9 -6.2 71.5 69 78 A M H > + 0 0 37 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.940 360.0 49.4 -60.0 -47.0 28.9 -2.7 70.5 70 79 A A H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -4,-0.2 0.919 110.4 50.6 -58.0 -45.8 29.3 -4.0 66.9 71 80 A R H > S+ 0 0 125 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.871 109.4 48.8 -62.2 -42.6 27.1 -7.0 67.8 72 81 A E H X S+ 0 0 120 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.844 113.6 47.5 -64.7 -37.2 24.3 -5.0 69.3 73 82 A Y H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.956 112.4 48.4 -67.7 -47.7 24.3 -2.7 66.3 74 83 A R H X S+ 0 0 45 -4,-2.7 4,-3.6 1,-0.3 -2,-0.2 0.925 112.6 50.0 -57.9 -44.9 24.3 -5.7 63.9 75 84 A E H X S+ 0 0 97 -4,-3.1 4,-1.8 1,-0.2 -1,-0.3 0.821 110.8 49.8 -58.1 -41.5 21.5 -7.1 66.0 76 85 A K H X S+ 0 0 82 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.911 112.7 45.2 -64.3 -43.7 19.7 -3.8 65.7 77 86 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.932 110.5 56.1 -71.1 -39.8 20.1 -3.7 62.0 78 87 A E H X S+ 0 0 25 -4,-3.6 4,-2.9 1,-0.2 -1,-0.2 0.845 103.1 53.5 -57.0 -41.6 19.1 -7.3 61.7 79 88 A T H X S+ 0 0 76 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.872 110.1 46.7 -63.4 -40.3 15.7 -6.7 63.5 80 89 A E H X S+ 0 0 48 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.938 114.4 48.8 -61.5 -43.8 14.8 -3.8 61.1 81 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.962 112.0 48.6 -58.4 -49.5 15.8 -6.1 58.2 82 91 A R H X S+ 0 0 63 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.910 111.0 49.9 -63.5 -43.7 13.8 -8.9 59.6 83 92 A D H X S+ 0 0 90 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.878 109.6 51.3 -62.4 -44.8 10.8 -6.7 60.1 84 93 A I H X S+ 0 0 18 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.968 112.5 45.8 -58.2 -50.9 11.0 -5.4 56.5 85 94 A C H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.918 113.4 49.3 -57.3 -41.9 11.1 -9.0 55.1 86 95 A N H X S+ 0 0 73 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.934 109.9 53.3 -66.4 -36.7 8.2 -10.1 57.4 87 96 A D H X S+ 0 0 42 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.953 113.4 41.0 -56.0 -54.7 6.3 -7.1 56.2 88 97 A V H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 114.8 52.2 -62.0 -47.6 6.9 -8.1 52.5 89 98 A L H X S+ 0 0 7 -4,-3.4 4,-2.5 -5,-0.2 -2,-0.2 0.894 109.8 49.5 -58.9 -34.9 6.2 -11.8 53.3 90 99 A S H X S+ 0 0 65 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.905 110.3 49.1 -73.1 -39.4 2.9 -10.9 55.0 91 100 A L H X>S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 5,-1.8 0.861 114.0 47.8 -60.9 -40.5 1.7 -8.8 52.2 92 101 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 3,-0.2 -2,-0.2 0.898 116.6 42.5 -66.5 -46.8 2.6 -11.6 49.8 93 102 A E H <5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.900 122.9 36.6 -68.7 -45.5 0.9 -14.2 51.9 94 103 A K H <5S+ 0 0 142 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.777 136.8 0.3 -80.4 -30.8 -2.2 -12.1 52.7 95 104 A F T X5S+ 0 0 33 -4,-2.2 4,-2.0 -5,-0.3 -3,-0.2 0.739 121.4 46.2-121.3 -66.6 -2.8 -10.2 49.4 96 105 A L H >4 S- 0 0 118 -2,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.757 80.3-131.6 -90.3 144.6 -2.2 -14.5 36.1 103 112 A A H > S+ 0 0 33 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.909 103.9 55.7 -63.2 -42.9 0.8 -16.7 35.7 104 113 A E H > S+ 0 0 61 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.933 111.8 43.9 -56.0 -45.2 3.3 -13.9 35.3 105 114 A S H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.849 111.3 52.9 -66.1 -42.4 2.2 -12.3 38.6 106 115 A K H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.937 113.4 44.8 -57.5 -48.8 2.2 -15.7 40.4 107 116 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.965 113.4 50.8 -59.7 -53.5 5.8 -16.2 39.2 108 117 A F H X S+ 0 0 16 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.900 115.1 41.5 -48.8 -53.6 6.7 -12.6 40.2 109 118 A Y H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.876 114.1 50.3 -70.3 -34.5 5.3 -12.9 43.7 110 119 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.880 110.8 51.3 -68.7 -36.1 6.6 -16.4 44.4 111 120 A K H X S+ 0 0 15 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.960 110.3 49.7 -59.5 -44.8 10.0 -15.2 43.2 112 121 A M H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.905 108.4 51.2 -64.8 -42.6 9.7 -12.3 45.6 113 122 A K H X S+ 0 0 23 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.930 110.5 51.1 -58.5 -43.7 8.7 -14.7 48.5 114 123 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.955 110.8 48.3 -48.4 -59.9 11.8 -16.6 47.6 115 124 A D H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.911 112.5 46.0 -49.4 -53.9 13.9 -13.4 47.7 116 125 A Y H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.3 -2,-0.2 0.869 114.3 47.2 -71.5 -32.6 12.6 -12.2 51.1 117 126 A Y H X S+ 0 0 44 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.885 111.9 53.7 -67.9 -33.6 13.0 -15.6 52.7 118 127 A R H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.4 -2,-0.3 0.928 107.1 49.3 -66.1 -38.8 16.4 -15.7 51.1 119 128 A Y H X S+ 0 0 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