==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-NOV-06 2NU6 . COMPND 2 MOLECULE: SUCCINYL-COA LIGASE [ADP-FORMING] SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.E.FRASER . 1347 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1026 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 119 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.9 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 0 0 2 3 5 4 10 4 6 4 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 4 8 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 PARALLEL BRIDGES PER LADDER . 3 2 6 10 4 0 2 2 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 . 2 0 2 0 0 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 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 S 0 0 32 0, 0.0 2,-0.3 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 157.5 48.7 79.7 60.5 2 2 A I + 0 0 12 195,-0.1 2,-3.0 197,-0.1 172,-0.1 -0.876 360.0 2.7-126.2 159.6 48.8 76.2 59.0 3 3 A L S S+ 0 0 46 -2,-0.3 2,-0.3 170,-0.1 114,-0.1 -0.167 119.0 31.4 70.1 -54.4 46.9 74.2 56.5 4 4 A I + 0 0 3 -2,-3.0 2,-0.3 128,-0.1 128,-0.2 -0.946 58.2 162.2-138.5 160.2 44.4 76.8 55.4 5 5 A D > - 0 0 54 -2,-0.3 3,-1.7 126,-0.2 128,-0.1 -0.875 60.3 -63.5-156.2-172.7 44.1 80.5 55.0 6 6 A K T 3 S+ 0 0 131 -2,-0.3 27,-0.1 1,-0.3 124,-0.0 0.692 129.9 51.2 -55.8 -20.8 42.1 83.2 53.3 7 7 A N T 3 S+ 0 0 97 2,-0.1 -1,-0.3 25,-0.1 2,-0.3 0.549 75.3 118.7 -96.5 -9.5 43.1 81.8 50.0 8 8 A T < - 0 0 15 -3,-1.7 2,-0.6 1,-0.1 25,-0.5 -0.424 53.7-149.5 -61.5 119.8 42.2 78.2 50.4 9 9 A K E -a 33 0A 84 -2,-0.3 58,-1.9 55,-0.2 57,-1.6 -0.865 20.3-168.2 -95.9 119.0 39.6 77.2 47.8 10 10 A V E -ab 34 67A 0 23,-1.7 25,-2.8 -2,-0.6 26,-0.7 -0.856 14.2-166.9-111.6 140.2 37.5 74.4 49.3 11 11 A I E -ab 36 68A 0 56,-2.2 58,-2.2 -2,-0.3 2,-0.5 -0.857 19.9-132.4-117.6 161.4 34.9 72.1 47.7 12 12 A C E > -ab 37 69A 0 24,-1.8 26,-2.6 -2,-0.3 3,-0.9 -0.950 6.0-152.6-122.0 122.1 32.5 70.0 49.7 13 13 A Q E 3 S+ab 38 70A 3 56,-2.7 58,-3.0 -2,-0.5 26,-0.2 -0.781 94.1 24.1 -88.2 126.6 31.8 66.3 49.2 14 14 A G T > S+ 0 0 17 24,-2.7 3,-1.9 -2,-0.5 6,-0.4 0.655 85.3 155.5 89.2 19.9 28.3 65.4 50.3 15 15 A F T < + 0 0 0 -3,-0.9 9,-0.2 23,-0.8 24,-0.1 0.752 63.6 49.2 -47.5 -39.8 27.6 69.1 49.8 16 16 A T T 3 S+ 0 0 25 22,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.196 93.6 98.3 -93.0 14.4 23.8 68.7 49.2 17 17 A G S <> S- 0 0 19 -3,-1.9 4,-2.6 1,-0.1 5,-0.3 -0.404 90.5 -96.0 -95.0 176.2 23.3 66.6 52.3 18 18 A S H > S+ 0 0 48 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.975 123.1 31.1 -57.5 -63.8 22.1 67.9 55.7 19 19 A Q H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.896 119.6 55.0 -66.2 -36.4 25.4 68.4 57.4 20 20 A G H > S+ 0 0 1 -6,-0.4 4,-0.9 51,-0.3 -1,-0.2 0.878 115.5 40.0 -61.9 -37.9 27.1 69.2 54.1 21 21 A T H >X S+ 0 0 24 -4,-2.6 4,-2.5 -7,-0.2 3,-0.6 0.968 116.9 46.7 -74.4 -55.8 24.6 71.9 53.5 22 22 A F H 3X S+ 0 0 87 -4,-3.3 4,-1.7 -5,-0.3 -2,-0.2 0.934 117.1 42.4 -54.6 -50.4 24.3 73.2 56.9 23 23 A H H 3X S+ 0 0 19 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.3 0.677 110.6 55.2 -72.9 -17.3 28.0 73.4 57.5 24 24 A S H S+ 0 0 3 -4,-1.5 5,-2.4 2,-0.2 4,-0.7 0.942 111.9 48.9 -62.4 -47.8 31.6 78.1 56.1 28 28 A I H ><5S+ 0 0 64 -4,-3.5 3,-1.2 1,-0.2 -2,-0.2 0.922 109.4 51.6 -57.9 -45.5 30.3 80.5 53.5 29 29 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 108.2 53.2 -63.9 -28.5 29.0 83.0 56.1 30 30 A Y H 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.618 121.8-107.4 -81.3 -13.6 32.5 82.9 57.7 31 31 A G T <<5 + 0 0 47 -3,-1.2 -3,-0.2 -4,-0.7 2,-0.2 0.544 61.9 157.0 98.6 4.3 34.1 83.8 54.4 32 32 A T < - 0 0 7 -5,-2.4 2,-3.2 -6,-0.2 -1,-0.3 -0.477 53.6-116.6 -61.8 133.6 35.7 80.4 53.6 33 33 A K E +a 9 0A 94 -25,-0.5 -23,-1.7 -2,-0.2 2,-0.2 -0.308 44.3 175.4 -73.8 66.3 36.2 80.3 49.9 34 34 A M E +a 10 0A 16 -2,-3.2 -23,-0.2 -25,-0.2 3,-0.1 -0.538 3.4 176.3 -64.8 133.5 33.8 77.4 49.4 35 35 A V E - 0 0 29 -25,-2.8 2,-0.3 1,-0.3 -24,-0.2 0.430 51.2 -38.3-123.0 0.5 33.7 77.2 45.6 36 36 A G E -a 11 0A 0 -26,-0.7 -24,-1.8 14,-0.2 -1,-0.3 -0.990 50.4-116.0 165.9-175.4 31.6 74.2 45.0 37 37 A G E -ac 12 52A 0 14,-1.9 16,-3.7 -2,-0.3 2,-0.4 -0.986 10.3-135.2-153.5 163.1 30.4 70.7 45.9 38 38 A V E +ac 13 53A 3 -26,-2.6 -24,-2.7 -2,-0.3 -23,-0.8 -0.984 28.4 153.0-125.5 125.8 30.2 67.1 44.8 39 39 A T > - 0 0 20 14,-2.5 3,-2.6 -2,-0.4 4,-0.1 -0.860 46.4-121.6-145.4 108.0 27.2 64.8 45.1 40 40 A P T 3 S+ 0 0 98 0, 0.0 14,-0.1 0, 0.0 15,-0.1 -0.278 100.1 26.9 -53.6 130.0 27.1 62.1 42.5 41 41 A G T 3 S+ 0 0 70 0, 0.0 13,-0.1 0, 0.0 14,-0.0 0.229 108.7 71.0 106.1 -15.3 23.9 62.5 40.6 42 42 A K X + 0 0 94 -3,-2.6 3,-1.3 11,-0.3 10,-0.2 0.001 59.9 139.2-122.2 25.1 23.4 66.3 41.1 43 43 A G T 3 + 0 0 23 1,-0.2 10,-0.3 -4,-0.1 3,-0.1 -0.386 64.6 36.4 -66.5 150.2 26.1 67.6 38.9 44 44 A G T 3 S+ 0 0 78 8,-2.1 -1,-0.2 1,-0.3 2,-0.2 0.503 97.8 99.6 86.5 0.5 25.0 70.5 36.9 45 45 A T E < -D 52 0A 68 -3,-1.3 7,-2.6 7,-0.6 -1,-0.3 -0.578 64.8-129.2-110.5-179.3 22.9 72.0 39.6 46 46 A T E +D 51 0A 111 5,-0.2 2,-0.3 -2,-0.2 -10,-0.0 -0.956 22.2 176.3-130.9 150.7 23.6 74.8 42.1 47 47 A H E > S+D 50 0A 44 3,-2.2 3,-1.9 -2,-0.3 -2,-0.0 -0.958 74.3 5.6-157.4 130.2 23.2 74.8 45.8 48 48 A L T 3 S- 0 0 54 -2,-0.3 -1,-0.0 1,-0.3 -32,-0.0 0.819 130.3 -66.2 58.9 28.2 24.2 77.6 48.3 49 49 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.667 115.3 110.9 69.9 14.2 24.9 79.6 45.1 50 50 A L E < S- D 0 47A 30 -3,-1.9 -3,-2.2 -14,-0.0 -1,-0.3 -0.831 75.4 -98.7-118.2 159.4 27.8 77.3 44.2 51 51 A P E - D 0 46A 48 0, 0.0 -14,-1.9 0, 0.0 2,-0.5 -0.493 29.8-146.2 -76.2 144.3 28.1 74.7 41.5 52 52 A V E -cD 37 45A 2 -7,-2.6 -8,-2.1 -16,-0.2 -7,-0.6 -0.944 16.8-164.5-109.4 131.8 27.5 71.1 42.3 53 53 A F E -c 38 0A 28 -16,-3.7 -14,-2.5 -2,-0.5 -11,-0.3 -0.790 26.0-134.9-114.0 160.3 29.5 68.5 40.4 54 54 A N S S+ 0 0 55 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.733 91.1 23.7 -80.7 -26.4 29.1 64.8 40.0 55 55 A T S > S- 0 0 46 -18,-0.1 4,-2.0 -16,-0.1 5,-0.1 -0.945 75.0-121.0-139.3 161.1 32.7 64.0 40.7 56 56 A V H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.858 112.8 58.3 -71.4 -32.4 35.6 65.7 42.5 57 57 A R H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 105.6 47.9 -62.8 -42.1 37.6 65.8 39.3 58 58 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 113.4 50.5 -64.6 -41.8 34.9 67.8 37.6 59 59 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 6,-0.5 0.870 111.3 46.3 -62.8 -37.7 34.9 70.1 40.6 60 60 A V H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.905 112.1 49.9 -72.5 -39.9 38.6 70.6 40.7 61 61 A A H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.952 116.5 44.4 -60.0 -45.2 38.9 71.3 37.0 62 62 A A H < S+ 0 0 63 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.884 131.1 16.1 -67.6 -44.3 36.1 73.8 37.3 63 63 A T H < S- 0 0 25 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.623 83.6-129.4-110.0 -19.1 37.2 75.6 40.5 64 64 A G < + 0 0 33 -4,-2.7 -55,-0.2 -5,-0.3 -4,-0.2 0.688 44.3 171.5 75.9 12.9 40.9 74.8 41.2 65 65 A A - 0 0 2 -6,-0.5 -1,-0.2 1,-0.2 -55,-0.2 -0.334 20.3-172.3 -56.3 136.7 39.9 73.9 44.8 66 66 A T + 0 0 74 -57,-1.6 24,-1.7 23,-0.1 25,-1.5 0.445 66.7 55.8-108.3 -3.5 42.9 72.4 46.6 67 67 A A E -be 10 91A 0 -58,-1.9 -56,-2.2 23,-0.2 2,-0.4 -0.950 60.6-167.6-131.3 149.1 40.9 71.4 49.7 68 68 A S E -be 11 92A 0 23,-2.5 25,-2.7 -2,-0.4 2,-0.5 -1.000 10.3-153.5-138.0 136.3 37.9 69.3 50.2 69 69 A V E -be 12 93A 4 -58,-2.2 -56,-2.7 -2,-0.4 2,-0.6 -0.922 20.5-146.0-107.3 132.7 35.7 68.9 53.3 70 70 A I E +be 13 94A 0 23,-3.0 25,-2.2 -2,-0.5 26,-1.0 -0.914 30.8 164.5-111.8 120.9 33.9 65.5 53.4 71 71 A Y + 0 0 27 -58,-3.0 -51,-0.3 -2,-0.6 -52,-0.1 -0.289 34.5 136.6-118.2 41.4 30.5 65.1 54.9 72 72 A V - 0 0 17 1,-0.1 5,-0.1 -53,-0.1 24,-0.1 -0.717 63.1-100.8 -95.2 138.1 29.8 61.6 53.4 73 73 A P > - 0 0 41 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.223 40.4-104.1 -56.3 151.2 28.2 58.9 55.5 74 74 A A G >> S+ 0 0 10 23,-0.5 3,-1.6 1,-0.3 4,-0.5 0.818 115.0 64.0 -41.8 -50.2 30.8 56.4 56.8 75 75 A P G 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.747 113.1 35.9 -52.6 -23.0 29.9 53.5 54.4 76 76 A F G <> S+ 0 0 72 -3,-2.3 4,-2.3 2,-0.1 -2,-0.2 0.330 89.2 96.0-115.2 6.3 31.1 55.7 51.5 77 77 A C H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.4 5,-0.4 0.908 79.4 54.1 -64.6 -48.4 34.0 57.6 52.9 78 78 A K H X S+ 0 0 72 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.980 112.7 48.2 -47.9 -55.2 36.8 55.4 51.8 79 79 A D H > S+ 0 0 111 1,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.893 113.6 46.9 -50.6 -48.0 35.3 55.9 48.3 80 80 A S H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 114.2 44.6 -60.8 -50.0 35.1 59.7 48.8 81 81 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.900 114.9 49.0 -63.0 -44.6 38.5 60.2 50.2 82 82 A L H X S+ 0 0 54 -4,-3.0 4,-2.2 -5,-0.4 -1,-0.2 0.872 109.9 52.1 -65.7 -36.8 40.1 58.0 47.6 83 83 A E H X S+ 0 0 50 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.944 111.4 47.3 -64.7 -43.3 38.1 59.9 44.9 84 84 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.7 0.935 110.5 51.1 -62.0 -46.1 39.5 63.2 46.2 85 85 A I H ><5S+ 0 0 13 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.930 110.7 50.3 -56.9 -42.4 43.0 62.0 46.4 86 86 A D H 3<5S+ 0 0 96 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.719 104.7 57.3 -69.7 -20.8 42.7 60.8 42.9 87 87 A A T <<5S- 0 0 12 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.393 120.0-104.1 -91.0 1.6 41.4 64.1 41.7 88 88 A G T < 5 + 0 0 42 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.438 63.4 156.7 95.0 -2.3 44.4 66.0 43.0 89 89 A I < - 0 0 0 -5,-1.7 -1,-0.3 1,-0.2 -22,-0.2 -0.366 26.6-162.1 -58.5 133.0 42.9 67.5 46.1 90 90 A K S S+ 0 0 110 -24,-1.7 27,-2.5 1,-0.2 2,-0.4 0.603 70.4 40.6 -96.5 -12.6 45.8 68.2 48.4 91 91 A L E -ef 67 117A 14 -25,-1.5 -23,-2.5 25,-0.2 2,-0.5 -0.969 61.3-174.4-143.1 123.6 44.0 68.6 51.7 92 92 A I E -ef 68 118A 0 25,-3.1 27,-2.8 -2,-0.4 2,-0.6 -0.964 6.4-169.0-120.8 125.8 41.0 66.6 52.9 93 93 A I E -ef 69 119A 0 -25,-2.7 -23,-3.0 -2,-0.5 2,-0.6 -0.981 14.5-164.5-112.2 114.8 39.2 67.5 56.1 94 94 A T E +e 70 0A 0 25,-2.4 29,-1.1 -2,-0.6 -23,-0.1 -0.913 18.2 175.9-110.0 114.0 36.9 64.5 56.9 95 95 A I + 0 0 22 -25,-2.2 -24,-0.2 -2,-0.6 -1,-0.2 0.801 42.2 119.3 -82.2 -31.5 34.2 65.1 59.3 96 96 A T - 0 0 12 -26,-1.0 26,-2.6 26,-0.2 2,-0.3 0.043 48.4-154.6 -43.6 136.3 32.6 61.7 59.0 97 97 A E + 0 0 59 24,-0.2 -23,-0.5 1,-0.2 -1,-0.1 -0.855 68.5 40.9-114.3 144.3 32.4 59.4 62.0 98 98 A G + 0 0 8 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.619 63.6 158.0 98.8 12.7 32.2 55.7 61.9 99 99 A I - 0 0 3 -3,-0.3 -1,-0.3 1,-0.1 410,-0.1 -0.577 52.6-104.6 -74.6 130.8 34.6 54.9 59.1 100 100 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.255 23.0-127.5 -52.0 137.6 35.8 51.3 59.5 101 101 A T H 3> S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.884 109.5 57.5 -55.6 -41.3 39.3 51.2 60.9 102 102 A L H 3> S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.775 104.3 52.4 -63.2 -25.3 40.4 48.9 58.1 103 103 A D H <> S+ 0 0 10 -3,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.881 110.7 46.1 -74.8 -42.8 39.3 51.5 55.6 104 104 A M H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.763 106.7 60.6 -71.1 -23.8 41.3 54.2 57.3 105 105 A L H X S+ 0 0 8 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.967 111.6 37.5 -67.3 -48.1 44.2 51.9 57.4 106 106 A T H X S+ 0 0 54 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.938 117.0 52.2 -64.9 -48.3 44.2 51.6 53.6 107 107 A V H X S+ 0 0 1 -4,-2.9 4,-3.9 1,-0.3 5,-0.2 0.884 106.8 53.2 -57.0 -42.1 43.4 55.3 53.2 108 108 A K H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.3 0.885 107.7 50.1 -63.8 -39.6 46.2 56.4 55.4 109 109 A V H X S+ 0 0 22 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.935 115.2 45.2 -64.2 -42.3 48.7 54.3 53.4 110 110 A K H X S+ 0 0 95 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.958 108.7 54.5 -63.0 -53.0 47.3 56.0 50.3 111 111 A L H X>S+ 0 0 0 -4,-3.9 5,-2.4 1,-0.2 4,-0.6 0.911 110.5 48.8 -48.4 -46.6 47.3 59.5 51.7 112 112 A D H ><5S+ 0 0 77 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.905 113.1 44.1 -65.6 -41.9 50.9 59.1 52.6 113 113 A E H 3<5S+ 0 0 151 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.0 47.7 -70.6 -39.2 52.0 57.9 49.2 114 114 A A H 3<5S- 0 0 35 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.535 109.0-124.2 -78.5 -2.7 50.0 60.4 47.3 115 115 A G T <<5 + 0 0 50 -4,-0.6 2,-0.4 -3,-0.5 -3,-0.2 0.868 60.2 146.9 64.8 35.1 51.3 63.2 49.5 116 116 A V < - 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0 0 49 -2,-2.1 2,-0.9 -41,-0.3 -39,-0.4 -0.914 65.9-132.8-153.8 126.1 40.1 53.0 74.3 251 251 A I - 0 0 4 -12,-0.5 -10,-2.7 -9,-0.4 2,-0.5 -0.692 31.5-168.8 -77.1 102.2 42.9 51.7 76.4 252 252 A A > - 0 0 74 -2,-0.9 3,-0.9 3,-0.5 -41,-0.1 -0.843 68.2 -3.0 -98.7 119.8 43.9 48.4 74.6 253 253 A G T 3 S- 0 0 30 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.781 120.3 -72.1 73.9 24.1 46.2 46.1 76.4 254 254 A G T 3 S+ 0 0 11 -3,-0.4 2,-0.3 1,-0.2 3,-0.2 0.557 107.1 120.1 67.1 7.2 46.6 48.4 79.4 255 255 A K < + 0 0 125 -3,-0.9 -3,-0.5 1,-0.2 -44,-0.2 -0.788 53.5 37.7-103.2 146.9 48.8 50.7 77.2 256 256 A G + 0 0 1 -2,-0.3 -46,-2.5 1,-0.2 2,-0.2 0.895 69.1 165.3 83.7 43.2 47.9 54.3 76.5 257 257 A T > - 0 0 23 -3,-0.2 4,-2.0 -48,-0.2 3,-0.3 -0.578 49.7-112.4 -87.9 160.0 46.5 55.6 79.7 258 258 A A H > S+ 0 0 1 -23,-0.5 4,-3.2 1,-0.2 5,-0.2 0.919 116.8 54.7 -55.6 -44.1 46.0 59.3 80.4 259 259 A D H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.874 105.2 52.4 -60.8 -36.6 48.7 59.2 83.1 260 260 A E H > S+ 0 0 66 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 112.1 45.4 -65.3 -44.6 51.3 57.6 80.8 261 261 A K H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.940 112.8 50.7 -65.6 -44.7 50.7 60.3 78.2 262 262 A F H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 3,-0.3 0.971 114.1 44.3 -54.4 -56.0 50.8 63.1 80.9 263 263 A A H X S+ 0 0 49 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.854 112.5 51.6 -55.5 -41.1 54.1 61.7 82.2 264 264 A A H X S+ 0 0 30 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.845 113.3 45.6 -68.1 -33.8 55.6 61.3 78.8 265 265 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 -3,-0.3 -2,-0.2 0.903 111.4 51.6 -73.2 -43.2 54.6 64.8 77.9 266 266 A E H ><5S+ 0 0 80 -4,-3.0 3,-2.4 1,-0.2 -2,-0.2 0.958 108.8 51.9 -58.8 -49.9 56.0 66.1 81.2 267 267 A A H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 104.9 55.7 -56.9 -32.0 59.3 64.3 80.6 268 268 A A T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.423 125.1-103.2 -83.8 3.6 59.6 65.9 77.2 269 269 A G T < 5 + 0 0 69 -3,-2.4 2,-0.3 1,-0.3 -40,-0.3 0.622 69.9 150.4 88.2 14.4 59.3 69.3 78.8 270 270 A V < - 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