==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHIONINE BIOSYNTHESIS 02-SEP-97 1CL1 . COMPND 2 MOLECULE: CYSTATHIONINE BETA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CLAUSEN,R.HUBER,A.MESSERSCHMIDT . 783 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 2 4 1 5 2 4 2 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 4 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 . 3 0 0 2 8 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 2 0 2 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 5 A K > 0 0 189 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -0.2 16.0 22.5 65.2 2 6 A L H > + 0 0 69 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.937 360.0 51.7 -58.0 -46.3 13.0 21.0 63.3 3 7 A D H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 110.3 49.0 -57.4 -39.6 11.6 24.5 62.7 4 8 A T H > S+ 0 0 66 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 111.4 49.3 -67.6 -40.5 15.0 25.5 61.3 5 9 A Q H X S+ 0 0 67 -4,-2.5 4,-2.8 1,-0.2 3,-0.2 0.927 107.9 53.7 -63.8 -46.1 15.1 22.4 59.0 6 10 A L H < S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.7 48.2 -56.9 -40.6 11.6 23.1 57.7 7 11 A V H < S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.831 123.3 31.3 -70.3 -31.3 12.5 26.6 56.7 8 12 A N H >< S+ 0 0 89 -4,-1.5 3,-2.1 -3,-0.2 -2,-0.2 0.637 80.7 125.6-105.4 -15.8 15.7 25.6 54.9 9 13 A A T 3< S- 0 0 0 -4,-2.8 57,-0.2 1,-0.3 58,-0.1 -0.211 88.0 -3.0 -52.1 123.1 15.1 22.1 53.5 10 14 A G T 3 S+ 0 0 1 55,-0.2 2,-0.8 56,-0.1 -1,-0.3 0.415 92.8 125.4 75.5 3.4 15.8 21.9 49.8 11 15 A R < + 0 0 65 -3,-2.1 -1,-0.1 4,-0.1 2,-0.1 -0.230 28.3 150.9 -93.2 51.0 16.6 25.6 49.3 12 16 A S >> - 0 0 44 -2,-0.8 4,-1.8 1,-0.1 3,-1.7 -0.413 58.9-115.5 -74.0 155.5 20.1 25.4 47.7 13 17 A K H 3> S+ 0 0 107 1,-0.3 4,-2.7 2,-0.2 6,-0.1 0.802 113.7 70.7 -61.7 -27.4 21.0 28.2 45.4 14 18 A K H 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.787 110.3 31.9 -57.6 -30.6 21.1 25.6 42.6 15 19 A Y H <4 S+ 0 0 37 -3,-1.7 8,-2.8 -5,-0.1 -2,-0.2 0.738 125.6 40.2 -98.7 -31.6 17.3 25.5 42.9 16 20 A T H >< S- 0 0 10 -4,-1.8 3,-1.9 6,-0.3 -3,-0.2 0.750 79.3-157.5 -89.8 -31.3 16.4 29.1 43.9 17 21 A L T 3< S- 0 0 38 -4,-2.7 -3,-0.1 1,-0.3 -4,-0.1 0.840 80.6 -34.1 53.8 40.0 18.9 31.0 41.7 18 22 A G T 3 S+ 0 0 8 1,-0.4 406,-3.2 -5,-0.1 -1,-0.3 0.098 119.6 104.3 107.0 -25.1 18.8 34.0 44.0 19 23 A A B < S-A 423 0A 3 -3,-1.9 -1,-0.4 404,-0.2 404,-0.2 -0.337 76.8-120.0 -84.9 169.8 15.1 33.8 45.1 20 24 A V S S+ 0 0 50 402,-0.6 2,-0.2 399,-0.2 -1,-0.1 0.938 98.6 44.2 -73.9 -47.2 13.9 32.5 48.5 21 25 A N S S- 0 0 44 398,-0.4 -2,-0.2 1,-0.1 225,-0.0 -0.556 102.1 -90.4 -96.1 159.3 11.8 29.7 47.0 22 26 A S - 0 0 8 -2,-0.2 -6,-0.3 224,-0.1 397,-0.3 -0.279 48.4-104.0 -63.9 154.4 13.0 27.3 44.2 23 27 A V - 0 0 2 -8,-2.8 2,-0.7 395,-0.1 395,-0.2 -0.364 28.7-118.8 -75.4 160.1 12.2 28.4 40.6 24 28 A I B -B 417 0B 1 393,-2.9 393,-2.8 34,-0.1 2,-0.7 -0.922 29.5-172.5-103.0 110.4 9.3 26.7 38.8 25 29 A Q - 0 0 1 -2,-0.7 2,-0.5 391,-0.2 34,-0.2 -0.903 3.6-166.4-107.8 100.6 10.7 24.9 35.8 26 30 A R + 0 0 76 -2,-0.7 388,-0.4 389,-0.3 2,-0.3 -0.797 29.8 138.1 -86.8 124.0 7.8 23.6 33.6 27 31 A A + 0 0 35 -2,-0.5 3,-0.1 385,-0.1 29,-0.1 -0.962 43.0 173.0-169.7 147.3 9.1 21.1 31.1 28 32 A S S S+ 0 0 72 -2,-0.3 25,-3.1 1,-0.3 2,-0.2 0.567 88.5 54.9-111.3 -63.5 8.7 17.9 29.2 29 33 A S - 0 0 64 23,-0.2 384,-0.6 24,-0.1 2,-0.4 -0.421 66.6-170.9 -73.7 133.7 11.7 18.6 26.8 30 34 A L B -C 412 0C 12 21,-0.4 2,-0.3 -2,-0.2 382,-0.2 -0.997 23.0-127.2-125.8 124.5 15.1 19.3 28.3 31 35 A V - 0 0 82 380,-3.3 2,-0.5 -2,-0.4 19,-0.1 -0.573 10.4-150.3 -82.1 138.5 17.8 20.5 25.9 32 36 A F - 0 0 67 -2,-0.3 3,-0.0 1,-0.1 6,-0.0 -0.916 4.9-153.5-105.2 124.1 21.3 19.0 25.5 33 37 A D S S- 0 0 120 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.826 75.2 -3.7 -65.5 -33.3 23.9 21.5 24.4 34 38 A S S > S- 0 0 62 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.904 75.4 -97.5-150.2 176.2 26.1 18.8 22.8 35 39 A V H > S+ 0 0 125 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.907 125.8 53.1 -66.6 -39.7 26.4 15.1 22.3 36 40 A E H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 109.1 49.3 -61.3 -42.5 28.8 15.0 25.2 37 41 A A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 110.3 50.2 -62.1 -46.5 26.1 16.8 27.3 38 42 A K H X S+ 0 0 110 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 109.7 50.6 -58.9 -45.5 23.4 14.3 26.3 39 43 A K H X S+ 0 0 60 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 112.0 47.7 -60.9 -41.9 25.6 11.3 27.2 40 44 A H H X S+ 0 0 96 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.900 111.9 48.3 -66.1 -44.4 26.3 12.8 30.6 41 45 A A H < S+ 0 0 6 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.904 110.4 53.3 -62.4 -41.2 22.7 13.6 31.3 42 46 A T H >< S+ 0 0 45 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.939 106.9 51.1 -58.0 -49.8 21.7 10.1 30.2 43 47 A R H 3< S+ 0 0 75 -4,-2.2 3,-0.2 1,-0.3 -1,-0.2 0.813 119.0 37.3 -59.1 -31.5 24.2 8.6 32.6 44 48 A N T ><>S+ 0 0 52 -4,-1.5 3,-1.6 1,-0.2 5,-1.3 0.041 76.7 124.3-112.6 29.8 22.8 10.6 35.5 45 49 A R T < 5S+ 0 0 105 -3,-1.6 3,-0.2 1,-0.3 7,-0.2 0.732 84.3 36.6 -60.6 -28.1 19.1 10.5 34.6 46 50 A A T 3 5S+ 0 0 28 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.289 109.5 71.1-106.3 8.8 18.1 9.1 37.9 47 51 A N T < 5S- 0 0 64 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.1 -0.340 119.4 -82.1-122.4 48.3 20.7 11.1 39.8 48 52 A G T 5S+ 0 0 43 -3,-0.2 2,-0.4 1,-0.2 -3,-0.1 0.685 85.1 129.5 65.9 22.0 19.5 14.7 39.6 49 53 A E < - 0 0 82 -5,-1.3 2,-0.3 -8,-0.2 -1,-0.2 -0.898 69.0-102.6-107.4 139.4 20.7 15.8 36.2 50 54 A L + 0 0 38 -2,-0.4 7,-0.1 1,-0.2 -6,-0.1 -0.444 66.6 133.9 -61.8 121.9 18.2 17.4 33.8 51 55 A F - 0 0 49 5,-0.5 -21,-0.4 -2,-0.3 2,-0.3 0.575 65.3 -10.7-136.1 -53.4 17.2 14.7 31.3 52 56 A Y >> - 0 0 86 4,-0.4 3,-2.0 -7,-0.2 4,-1.4 -0.954 59.3-114.3-159.8 143.3 13.5 14.5 30.7 53 57 A G T 34 S+ 0 0 4 -25,-3.1 -24,-0.1 -2,-0.3 -26,-0.1 0.776 112.7 61.4 -47.4 -37.3 10.3 16.0 32.2 54 58 A R T 34 S+ 0 0 103 1,-0.2 -1,-0.3 -26,-0.2 186,-0.1 0.801 105.9 47.1 -64.0 -30.0 9.1 12.6 33.4 55 59 A R T <4 S- 0 0 37 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 123.1-106.7 -78.2 -31.9 12.2 12.3 35.6 56 60 A G < - 0 0 1 -4,-1.4 -5,-0.5 -28,-0.1 -4,-0.4 -0.511 22.6-112.1 126.7 167.6 11.7 15.8 36.9 57 61 A T >> - 0 0 1 -2,-0.2 4,-2.3 -7,-0.1 3,-0.6 -0.584 53.6 -74.7-122.9-175.7 13.1 19.4 36.7 58 62 A L H 3> S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.845 130.2 58.7 -51.7 -35.5 14.9 21.6 39.2 59 63 A T H 3> S+ 0 0 0 -34,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 108.0 43.5 -63.5 -42.9 11.6 22.1 41.0 60 64 A H H <> S+ 0 0 12 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.910 111.0 55.4 -68.0 -43.9 11.1 18.4 41.6 61 65 A F H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 105.1 53.1 -57.0 -42.4 14.7 17.9 42.7 62 66 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.2 45.6 -60.0 -45.5 14.4 20.6 45.3 63 67 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.907 110.9 52.7 -65.2 -42.7 11.3 18.9 46.9 64 68 A Q H X S+ 0 0 51 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.905 109.6 49.6 -60.4 -40.3 13.0 15.4 46.8 65 69 A Q H X S+ 0 0 65 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.906 110.9 49.4 -64.0 -44.4 16.0 16.8 48.6 66 70 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -57,-0.2 -2,-0.2 0.913 111.6 48.4 -61.4 -44.9 13.8 18.4 51.3 67 71 A M H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.871 109.3 52.8 -64.8 -40.4 11.8 15.2 51.9 68 72 A C H X>S+ 0 0 23 -4,-2.0 5,-1.4 -5,-0.2 4,-1.2 0.895 112.8 43.9 -65.0 -39.9 14.9 13.1 52.2 69 73 A E H <5S+ 0 0 77 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.913 114.6 49.2 -74.4 -34.0 16.4 15.3 54.8 70 74 A L H <5S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 124.6 28.7 -69.8 -40.3 13.2 15.7 56.7 71 75 A E H <5S- 0 0 5 -4,-2.4 122,-0.3 -5,-0.2 -1,-0.2 0.464 106.6-121.7 -99.3 -2.8 12.4 11.9 56.8 72 76 A G T <5 + 0 0 46 -4,-1.2 -3,-0.2 -5,-0.2 2,-0.2 0.897 58.8 144.7 66.0 46.4 16.1 10.7 56.7 73 77 A G < - 0 0 19 -5,-1.4 149,-0.2 -6,-0.2 -1,-0.2 -0.578 59.8-124.0-112.4 173.9 15.9 8.6 53.6 74 78 A A S S- 0 0 45 147,-2.7 2,-0.3 1,-0.2 148,-0.2 0.726 90.9 -4.1 -85.1 -25.5 18.2 7.7 50.6 75 79 A G E -D 221 0D 3 146,-1.3 146,-2.4 -7,-0.1 2,-0.4 -0.987 58.3-136.2-162.2 164.4 15.6 8.9 48.0 76 80 A C E -D 220 0D 3 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.994 12.3-159.5-133.5 125.9 12.1 10.3 47.4 77 81 A V E -D 219 0D 13 142,-2.8 142,-1.9 -2,-0.4 2,-0.3 -0.868 15.1-142.8-106.4 136.3 9.7 9.1 44.8 78 82 A L E -D 218 0D 12 -2,-0.4 140,-0.2 140,-0.2 -18,-0.0 -0.799 17.2-176.6-104.7 145.4 6.8 11.4 43.7 79 83 A F E -D 217 0D 0 138,-2.7 138,-2.1 -2,-0.3 161,-0.1 -0.899 39.9-109.3-135.5 161.7 3.3 10.5 42.7 80 84 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 161,-0.1 0.724 97.7 -18.4 -61.4 -27.9 0.0 12.3 41.5 81 85 A C S > S- 0 0 28 135,-0.2 4,-1.7 1,-0.1 136,-0.4 -0.965 76.2 -87.4-167.6 173.5 -1.6 11.7 44.9 82 86 A G H > S+ 0 0 0 134,-0.4 4,-2.2 -2,-0.3 5,-0.1 0.855 122.1 55.3 -62.8 -37.1 -1.4 9.6 48.0 83 87 A A H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 108.1 49.0 -64.6 -38.6 -3.5 6.7 46.6 84 88 A A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.870 108.7 54.4 -67.6 -36.4 -1.2 6.4 43.6 85 89 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.927 112.0 43.8 -63.7 -42.6 1.8 6.4 46.1 86 90 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.982 117.3 43.1 -65.5 -57.7 0.2 3.5 48.0 87 91 A A H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 118.8 43.8 -57.0 -45.3 -0.8 1.4 45.0 88 92 A N H X S+ 0 0 19 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.821 109.7 54.3 -74.1 -30.3 2.4 1.9 43.0 89 93 A S H X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.911 113.4 43.9 -68.5 -41.2 4.8 1.4 46.0 90 94 A I H >X S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.2 4,-1.2 0.968 113.5 50.9 -65.2 -51.1 3.1 -2.0 46.6 91 95 A L H 3< S+ 0 0 49 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.819 99.6 66.7 -55.9 -34.7 3.1 -2.9 42.9 92 96 A A H 3< S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.768 111.0 32.4 -60.5 -26.9 6.8 -2.0 42.6 93 97 A F H << S+ 0 0 4 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.605 98.7 94.1-109.0 -12.5 7.8 -4.9 44.9 94 98 A I < - 0 0 25 -4,-1.2 2,-0.3 -3,-0.2 29,-0.1 -0.417 43.8-174.5 -87.2 161.6 5.2 -7.7 44.2 95 99 A E > - 0 0 121 -2,-0.1 3,-2.2 27,-0.1 50,-0.1 -0.955 45.4 -74.1-145.7 154.5 5.3 -10.6 41.9 96 100 A Q T 3 S+ 0 0 171 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.251 121.4 29.8 -49.5 132.0 2.7 -13.3 40.9 97 101 A G T 3 S+ 0 0 43 25,-2.8 -1,-0.3 1,-0.3 26,-0.2 0.337 91.6 127.2 96.3 -8.1 2.5 -15.7 43.9 98 102 A D < - 0 0 21 -3,-2.2 26,-2.0 24,-0.1 2,-0.4 -0.306 50.3-136.2 -79.5 168.0 3.4 -13.2 46.7 99 103 A H E -ef 124 144D 2 44,-2.2 46,-2.7 24,-0.2 47,-1.2 -0.971 9.8-157.3-126.2 138.4 1.4 -12.5 49.8 100 104 A V E -ef 125 146D 0 24,-2.4 26,-2.0 -2,-0.4 2,-0.6 -0.967 2.9-158.2-117.6 130.5 0.7 -9.0 51.2 101 105 A L E +ef 126 147D 0 45,-2.6 47,-3.1 -2,-0.4 2,-0.4 -0.955 19.5 177.8-111.0 118.9 -0.1 -8.5 54.9 102 106 A M E -ef 127 148D 0 24,-2.3 26,-1.5 -2,-0.6 47,-0.2 -0.960 34.1-107.8-127.0 142.7 -2.0 -5.3 55.7 103 107 A T E > -e 128 0D 0 45,-2.2 3,-1.3 -2,-0.4 26,-0.2 -0.347 26.7-132.2 -61.5 141.1 -3.5 -3.7 58.8 104 108 A N T 3 S+ 0 0 7 24,-2.7 -1,-0.1 1,-0.3 25,-0.1 0.544 104.4 63.8 -75.6 -2.7 -7.3 -3.9 58.8 105 109 A T T 3 S+ 0 0 1 23,-0.3 49,-2.1 250,-0.1 -1,-0.3 0.179 77.3 132.1-100.9 12.4 -7.5 -0.2 59.8 106 110 A A S < S- 0 0 1 -3,-1.3 5,-0.1 47,-0.2 47,-0.1 -0.305 74.8 -80.4 -65.4 152.3 -5.8 0.8 56.5 107 111 A Y >> - 0 0 51 1,-0.1 4,-1.5 3,-0.1 3,-1.3 -0.264 47.0-118.9 -50.1 129.2 -7.3 3.6 54.5 108 112 A E H 3> S+ 0 0 89 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.860 110.9 54.6 -45.2 -51.7 -10.2 2.1 52.5 109 113 A P H 3> S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.862 105.8 54.6 -54.9 -32.8 -8.8 2.8 49.0 110 114 A S H <> S+ 0 0 3 -3,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.907 109.8 47.2 -65.9 -40.2 -5.6 1.0 50.0 111 115 A Q H X S+ 0 0 8 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.924 111.0 50.9 -65.6 -45.5 -7.7 -2.1 50.9 112 116 A D H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.862 104.4 57.4 -61.1 -38.1 -9.7 -1.9 47.7 113 117 A F H X>S+ 0 0 29 -4,-2.1 4,-2.3 -5,-0.2 5,-1.6 0.949 111.0 44.2 -58.7 -45.7 -6.5 -1.7 45.6 114 118 A C H <>S+ 0 0 1 -4,-1.6 5,-1.3 1,-0.2 -2,-0.2 0.945 118.1 41.6 -65.0 -48.2 -5.4 -5.0 47.2 115 119 A S H <5S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 126.7 31.1 -72.8 -27.8 -8.7 -6.9 47.0 116 120 A K H <5S+ 0 0 132 -4,-2.6 4,-0.2 -5,-0.2 -3,-0.2 0.751 130.9 24.1-102.0 -31.4 -9.6 -5.6 43.4 117 121 A I T ><5S+ 0 0 68 -4,-2.3 3,-0.7 -5,-0.5 4,-0.4 0.864 122.6 43.8-100.2 -57.0 -6.4 -5.2 41.6 118 122 A L G > XS+ 0 0 0 -5,-1.6 3,-1.9 1,-0.2 5,-1.6 0.876 105.3 65.0 -58.8 -37.8 -3.7 -7.4 43.2 119 123 A S G > - 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