==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAR-04 1SQF . COMPND 2 MOLECULE: SUN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.G.FOSTER,C.R.NUNES,P.GREENE,D.MOUSTAKAS,R.M.STROUD . 425 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 3 1 0 0 1 3 3 0 0 1 1 1 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 1 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 . 2 1 3 0 1 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 1 0 0 0 1 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 5 A R 0 0 128 0, 0.0 2,-0.6 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 150.6 -23.2 22.3 25.5 2 6 A N > - 0 0 23 1,-0.2 4,-1.6 98,-0.1 5,-0.1 -0.726 360.0-164.2 -90.9 121.2 -23.8 20.6 22.2 3 7 A L H > S+ 0 0 9 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.768 87.7 58.7 -72.7 -29.7 -22.4 17.1 22.1 4 8 A R H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 107.8 45.9 -69.5 -37.2 -22.6 16.8 18.3 5 9 A S H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.821 110.5 54.1 -72.0 -36.7 -20.4 19.8 17.9 6 10 A M H X S+ 0 0 18 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.975 112.3 44.1 -62.4 -45.8 -18.0 18.4 20.4 7 11 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.840 111.0 53.5 -62.9 -38.6 -17.8 15.1 18.4 8 12 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.938 113.1 43.1 -66.1 -36.5 -17.5 16.9 15.1 9 13 A Q H X S+ 0 0 79 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.881 113.0 53.6 -72.7 -40.3 -14.4 19.0 16.5 10 14 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.946 115.7 38.8 -50.8 -54.5 -13.0 15.9 18.1 11 15 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.815 108.8 57.3 -69.5 -48.0 -13.1 13.9 14.9 12 16 A E H X>S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.3 5,-0.9 0.904 104.9 56.0 -58.2 -38.8 -12.1 16.6 12.3 13 17 A Q H X5S+ 0 0 50 -4,-1.4 6,-1.6 -5,-0.2 4,-0.9 0.908 108.5 47.7 -54.1 -42.6 -8.9 17.0 14.2 14 18 A V H X5S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.3 -2,-0.2 0.999 120.2 33.4 -64.3 -62.7 -8.2 13.3 13.8 15 19 A V H <5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.881 129.8 29.8 -66.6 -45.6 -8.9 13.0 10.1 16 20 A E H <5S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.763 133.6 30.4 -87.4 -23.7 -7.7 16.4 8.7 17 21 A Q H <> - 0 0 45 -2,-0.2 3,-1.2 1,-0.1 4,-0.9 -0.569 13.7-126.4 -84.6 152.2 -5.1 10.9 18.1 21 25 A L H 3> S+ 0 0 8 1,-0.3 4,-2.0 -2,-0.2 -1,-0.1 0.718 108.7 67.1 -69.9 -15.2 -8.5 10.5 19.7 22 26 A S H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.754 99.6 45.4 -77.6 -24.7 -6.5 9.8 22.9 23 27 A N H <4 S+ 0 0 108 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.703 121.2 40.7 -90.8 -21.4 -5.2 13.3 23.2 24 28 A I H X S+ 0 0 10 -4,-0.9 4,-1.1 2,-0.1 -2,-0.2 0.945 103.9 54.3 -91.4 -62.0 -8.5 14.8 22.5 25 29 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.693 93.8 70.6 -54.2 -31.6 -11.4 13.0 24.2 26 30 A P H > S+ 0 0 51 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.940 103.7 37.6 -56.1 -61.0 -10.1 13.1 27.7 27 31 A P H 4 S+ 0 0 76 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.833 114.8 56.4 -56.7 -38.1 -10.6 16.9 28.4 28 32 A L H >< S+ 0 0 38 -4,-1.1 3,-1.3 1,-0.2 -3,-0.1 0.921 105.8 50.9 -65.2 -37.6 -13.8 17.0 26.5 29 33 A Q H >< S+ 0 0 42 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.749 96.1 67.9 -73.9 -23.1 -15.3 14.3 28.6 30 34 A Q T 3< S+ 0 0 97 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.705 95.0 62.0 -67.8 -14.4 -14.4 16.0 31.9 31 35 A K T < S+ 0 0 95 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.471 97.6 57.5 -93.9 -4.1 -16.9 18.7 30.9 32 36 A V S < S- 0 0 19 -3,-1.3 5,-0.1 -4,-0.1 0, 0.0 -0.863 84.0 -88.7-132.3 163.6 -20.2 16.7 30.8 33 37 A S > - 0 0 69 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.078 50.5-100.1 -60.9 159.5 -22.6 14.4 32.8 34 38 A D H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 124.6 47.2 -48.4 -46.0 -22.0 10.6 32.7 35 39 A K H > S+ 0 0 184 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 112.1 51.0 -68.8 -35.0 -24.7 9.9 30.1 36 40 A D H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 107.2 55.4 -66.9 -35.3 -23.3 12.7 28.0 37 41 A K H X S+ 0 0 65 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.935 109.0 45.3 -63.6 -50.2 -19.8 11.2 28.4 38 42 A A H X S+ 0 0 62 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.939 113.4 49.6 -56.0 -52.2 -20.9 7.8 27.0 39 43 A L H X S+ 0 0 43 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.881 110.8 49.8 -58.9 -37.4 -22.8 9.3 24.1 40 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.955 111.4 48.9 -66.5 -43.4 -19.8 11.5 23.1 41 45 A Q H X S+ 0 0 78 -4,-2.4 4,-2.4 -5,-0.2 5,-0.4 0.932 110.6 51.4 -56.4 -48.3 -17.6 8.6 23.2 42 46 A E H X S+ 0 0 53 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.942 111.3 47.5 -60.9 -44.4 -20.1 6.7 21.0 43 47 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.927 114.4 44.5 -61.8 -48.0 -20.2 9.5 18.5 44 48 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.955 120.3 39.6 -63.1 -51.4 -16.5 10.0 18.2 45 49 A F H X S+ 0 0 72 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.938 116.5 51.7 -64.6 -44.4 -15.6 6.2 18.0 46 50 A G H X S+ 0 0 5 -4,-2.5 4,-2.2 -5,-0.4 -1,-0.2 0.901 110.8 45.2 -60.4 -46.1 -18.5 5.4 15.8 47 51 A V H < S+ 0 0 0 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.896 115.0 48.6 -66.0 -45.7 -17.9 8.1 13.2 48 52 A L H < S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.854 111.0 52.5 -58.0 -38.4 -14.2 7.2 13.1 49 53 A R H < S+ 0 0 60 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.886 122.6 27.6 -70.4 -35.8 -15.2 3.5 12.8 50 54 A T S >X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 3,-1.3 0.197 75.8 132.6-111.1 16.9 -17.5 4.1 9.9 51 55 A L T 34 S+ 0 0 14 -3,-0.5 -1,-0.2 -4,-0.3 4,-0.1 0.612 73.4 56.0 -45.9 -15.2 -15.8 7.2 8.4 52 56 A S T 3> S+ 0 0 18 -3,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.759 104.4 45.3 -90.2 -50.2 -16.0 5.4 5.0 53 57 A Q H <> S+ 0 0 17 -3,-1.3 4,-2.2 2,-0.2 5,-0.2 0.882 112.9 54.4 -60.4 -37.8 -19.6 4.8 4.8 54 58 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.728 112.7 44.6 -72.2 -18.5 -20.1 8.4 6.0 55 59 A D H > S+ 0 0 74 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.918 111.9 49.2 -80.9 -59.9 -17.9 9.5 3.1 56 60 A W H X S+ 0 0 45 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.756 115.7 47.7 -53.0 -24.9 -19.5 7.3 0.5 57 61 A L H >X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 3,-0.6 0.926 107.8 51.2 -84.3 -49.1 -22.9 8.6 1.7 58 62 A I H 3X S+ 0 0 1 -4,-1.2 4,-4.7 1,-0.2 3,-0.2 0.940 109.0 54.3 -45.8 -51.3 -22.1 12.3 1.7 59 63 A N H 3< S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 109.1 46.0 -60.6 -31.2 -20.8 11.9 -1.8 60 64 A K H << S+ 0 0 39 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.814 120.3 40.7 -79.2 -28.2 -24.1 10.4 -3.0 61 65 A L H < S+ 0 0 9 -4,-2.2 2,-0.7 -3,-0.2 -2,-0.2 0.837 114.3 52.0 -86.8 -40.8 -26.1 13.1 -1.2 62 66 A M < - 0 0 16 -4,-4.7 -1,-0.2 -5,-0.2 55,-0.0 -0.863 53.2-167.3-109.9 113.9 -23.9 16.1 -2.0 63 67 A A S S+ 0 0 103 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.935 100.3 27.9 -50.1 -45.1 -22.9 16.9 -5.6 64 68 A R S S- 0 0 212 -3,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.845 88.0-153.1-121.7 95.1 -20.5 19.3 -3.7 65 69 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 9,-0.1 -0.193 37.9 -86.3 -59.5 155.1 -19.5 18.2 -0.2 66 70 A M + 0 0 25 5,-0.1 2,-0.2 7,-0.1 8,-0.1 -0.514 62.3 163.7 -70.3 122.2 -18.6 20.9 2.3 67 71 A T > + 0 0 92 -2,-0.4 3,-1.9 -3,-0.1 2,-0.1 -0.764 39.6 8.8-128.6 178.6 -14.9 21.7 2.0 68 72 A G G > S+ 0 0 65 1,-0.3 3,-1.2 -2,-0.2 4,-0.2 -0.293 130.5 9.8 57.2-120.4 -12.4 24.4 3.0 69 73 A K G 3 S+ 0 0 177 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.796 136.6 46.6 -61.7 -33.7 -14.0 27.0 5.4 70 74 A Q G <> S+ 0 0 62 -3,-1.9 4,-0.6 1,-0.2 -1,-0.3 -0.112 76.3 115.5-100.4 39.1 -17.1 24.8 5.9 71 75 A R H X> + 0 0 59 -3,-1.2 4,-1.6 1,-0.2 3,-1.4 0.906 68.8 58.5 -75.7 -37.1 -15.3 21.5 6.4 72 76 A T H 3> S+ 0 0 31 -3,-0.3 4,-3.6 1,-0.3 5,-0.3 0.849 99.0 60.5 -55.9 -33.9 -16.5 21.0 10.0 73 77 A V H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.860 98.4 57.7 -62.7 -27.6 -19.9 21.1 8.7 74 78 A H H > - 0 0 67 0, 0.0 4,-2.7 0, 0.0 3,-0.7 -0.419 40.0-133.2 -44.5 122.9 -35.3 9.7 18.0 91 95 A P H 3> S+ 0 0 62 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.849 106.8 55.0 -59.9 -35.4 -34.4 11.1 14.5 92 96 A H H 3> S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 110.6 48.3 -63.9 -31.9 -36.1 14.4 15.2 93 97 A A H <> S+ 0 0 35 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.962 113.8 44.5 -72.1 -47.2 -33.8 14.5 18.2 94 98 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.911 117.2 46.0 -61.5 -43.4 -30.7 13.6 16.2 95 99 A L H X S+ 0 0 17 -4,-3.4 4,-2.9 -5,-0.2 5,-0.3 0.959 113.9 49.0 -58.2 -51.3 -31.6 16.0 13.5 96 100 A A H X S+ 0 0 54 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.932 115.2 41.3 -59.6 -46.4 -32.5 18.7 16.0 97 101 A E H X S+ 0 0 84 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.833 115.4 51.4 -72.4 -33.4 -29.2 18.5 18.0 98 102 A T H < S+ 0 0 0 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.941 112.6 45.0 -69.1 -44.0 -27.1 18.1 15.0 99 103 A V H >< S+ 0 0 12 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.945 111.6 51.6 -63.8 -44.9 -28.5 21.1 13.3 100 104 A E H >X S+ 0 0 102 -4,-2.5 3,-1.8 1,-0.3 4,-0.7 0.715 94.9 72.9 -67.0 -23.2 -28.3 23.2 16.5 101 105 A G H 3X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.3 -1,-0.3 0.694 76.8 80.8 -63.2 -11.9 -24.7 22.1 16.7 102 106 A A H <4>S+ 0 0 0 -3,-2.2 5,-3.3 -4,-0.3 -1,-0.3 0.746 87.1 57.0 -68.1 -15.4 -24.1 24.5 13.8 103 107 A I H X45S+ 0 0 90 -3,-1.8 3,-1.2 3,-0.2 -1,-0.2 0.846 104.2 48.5 -84.4 -35.1 -24.1 27.3 16.3 104 108 A A H 3<5S+ 0 0 40 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.841 110.1 52.8 -74.2 -23.4 -21.3 25.8 18.4 105 109 A I T 3<5S- 0 0 14 -4,-1.8 -1,-0.2 -33,-0.0 -2,-0.2 0.171 116.9-118.3 -88.7 19.8 -19.3 25.3 15.1 106 110 A K T < 5S+ 0 0 143 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.826 87.3 104.7 48.0 46.5 -19.9 29.0 14.3 107 111 A R > < + 0 0 93 -5,-3.3 3,-2.5 -6,-0.1 -4,-0.2 -0.257 29.7 154.8-144.8 55.1 -21.8 28.5 11.2 108 112 A P G > + 0 0 71 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.751 68.1 68.7 -63.3 -23.1 -25.5 29.1 12.1 109 113 A Q G 3 S+ 0 0 133 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.636 91.3 62.1 -69.5 -13.0 -26.4 30.0 8.5 110 114 A L G <> + 0 0 22 -3,-2.5 4,-3.5 1,-0.2 -1,-0.3 0.296 69.0 104.9 -95.2 17.2 -25.9 26.4 7.5 111 115 A K H <> S+ 0 0 65 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.954 84.9 44.9 -62.0 -40.5 -28.6 25.1 9.7 112 116 A G H > S+ 0 0 48 -3,-0.4 4,-4.0 -4,-0.2 5,-0.2 0.917 111.7 50.9 -68.3 -37.6 -30.7 24.7 6.7 113 117 A L H > S+ 0 0 66 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.983 113.0 46.2 -65.8 -49.1 -28.0 23.1 4.7 114 118 A I H X S+ 0 0 0 -4,-3.5 4,-2.4 2,-0.2 5,-0.3 0.947 116.6 44.3 -51.9 -51.7 -27.3 20.6 7.5 115 119 A N H X S+ 0 0 60 -4,-3.1 4,-3.3 -5,-0.3 5,-0.3 0.962 113.6 53.7 -56.5 -51.7 -31.1 19.9 7.9 116 120 A G H X S+ 0 0 29 -4,-4.0 4,-2.4 -5,-0.2 -1,-0.2 0.893 111.0 43.0 -50.5 -47.8 -31.4 19.7 4.1 117 121 A V H X S+ 0 0 10 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.980 114.9 48.4 -67.2 -47.3 -28.6 17.2 3.7 118 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.912 113.7 48.3 -56.2 -46.3 -29.7 15.0 6.7 119 123 A R H X S+ 0 0 131 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.906 108.9 52.4 -67.9 -37.6 -33.3 15.1 5.4 120 124 A Q H X S+ 0 0 46 -4,-2.4 4,-5.4 -5,-0.3 5,-0.3 0.931 108.3 52.6 -59.5 -38.7 -32.3 14.2 1.9 121 125 A F H X S+ 0 0 7 -4,-2.6 4,-3.3 1,-0.3 -2,-0.2 0.936 107.0 49.6 -65.8 -40.0 -30.4 11.3 3.4 122 126 A Q H < S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.2 4,-0.2 0.841 118.1 44.2 -61.6 -27.1 -33.5 10.2 5.2 123 127 A R H < S+ 0 0 167 -4,-1.5 -2,-0.3 -5,-0.2 3,-0.2 0.904 130.8 21.5 -81.1 -47.3 -34.9 10.6 1.7 124 128 A Q H X S+ 0 0 43 -4,-5.4 4,-2.4 1,-0.2 5,-0.3 0.273 88.8 111.5-104.4 9.6 -32.1 8.9 -0.2 125 129 A Q H X S+ 0 0 59 -4,-3.3 4,-3.5 -5,-0.3 5,-0.2 0.891 76.9 56.0 -47.7 -38.8 -30.6 6.8 2.6 126 130 A E H > S+ 0 0 126 -3,-0.2 4,-1.8 1,-0.2 5,-0.2 0.958 110.2 36.6 -68.2 -57.0 -31.9 3.7 0.9 127 131 A E H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.903 120.3 49.9 -65.5 -33.8 -30.3 3.9 -2.5 128 132 A L H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.960 108.7 53.0 -69.8 -42.1 -27.1 5.4 -1.0 129 133 A L H X S+ 0 0 72 -4,-3.5 4,-1.5 -5,-0.3 3,-0.4 0.949 111.8 43.3 -48.6 -62.0 -26.9 2.7 1.6 130 134 A A H < S+ 0 0 55 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.810 109.3 53.6 -58.7 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40.8-110.9 -83.0 158.4 -6.4 -16.2 41.5 181 185 A R H > S+ 0 0 62 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.923 122.2 45.7 -53.1 -45.1 -8.2 -15.5 38.3 182 186 A D H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.860 108.8 53.7 -72.4 -38.9 -11.0 -17.7 39.6 183 187 A S H > S+ 0 0 57 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.963 112.0 46.8 -61.7 -43.3 -11.0 -16.2 43.1 184 188 A W H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 3,-0.4 0.886 104.6 58.1 -66.1 -36.1 -11.5 -12.7 41.5 185 189 A L H X S+ 0 0 29 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.833 101.9 58.9 -60.9 -29.3 -14.2 -13.8 39.1 186 190 A A H X S+ 0 0 63 -4,-1.2 4,-1.3 -3,-0.4 -1,-0.3 0.879 106.7 45.6 -67.5 -35.4 -16.1 -14.8 42.2 187 191 A L H X S+ 0 0 67 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.914 110.0 55.4 -66.7 -42.2 -15.8 -11.3 43.4 188 192 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.3 3,-0.2 0.913 108.5 47.4 -58.4 -42.8 -16.9 -10.0 40.0 189 193 A D H ><5S+ 0 0 113 -4,-2.4 3,-1.3 1,-0.2 -1,-0.3 0.804 107.0 55.6 -71.1 -31.1 -20.0 -12.1 40.1 190 194 A E H 3<5S+ 0 0 84 -4,-1.3 -1,-0.2 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1,-0.2 -1,-0.3 -3,-0.0 0, 0.0 0.614 110.7 50.0 -94.5 -10.2 -4.7 -19.6 26.7 201 205 A Y X - 0 0 11 -3,-1.3 3,-2.4 1,-0.1 -3,-0.5 -0.783 66.5-172.0-129.1 86.8 -4.4 -16.5 29.0 202 206 A P T 3 S+ 0 0 82 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 0.725 84.0 45.5 -61.2 -24.6 -4.5 -17.7 32.6 203 207 A D T 3 S+ 0 0 19 26,-0.1 -29,-2.8 -22,-0.1 2,-0.2 0.377 95.2 111.2 -94.7 6.6 -4.7 -14.2 34.2 204 208 A A E < -A 173 0A 0 -3,-2.4 2,-0.4 -6,-0.3 -6,-0.4 -0.532 40.4-177.8 -99.4 146.1 -7.3 -13.0 31.9 205 209 A V E -A 172 0A 0 -33,-2.1 -33,-3.4 -2,-0.2 2,-0.6 -0.997 12.6-155.9-133.2 127.4 -10.9 -12.0 32.2 206 210 A R E -AC 171 196A 37 -10,-2.6 -10,-1.8 -2,-0.4 -35,-0.2 -0.918 20.4-139.4 -99.6 118.9 -13.1 -10.9 29.4 207 211 A L E - C 0 195A 6 -37,-2.8 -37,-0.5 -2,-0.6 -12,-0.3 -0.580 7.0-139.7 -80.0 140.1 -16.0 -8.8 30.7 208 212 A E S S+ 0 0 125 -14,-2.9 -1,-0.1 1,-0.2 -13,-0.1 0.900 95.4 22.6 -57.4 -44.6 -19.5 -9.4 29.2 209 213 A T S S- 0 0 98 -15,-0.5 -1,-0.2 -39,-0.1 -15,-0.1 -0.983 92.5-113.2-130.4 126.4 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