==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-12 4EU5 . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1017 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 67 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 3 2 8 2 6 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 12 5 1 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 . 10 7 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 3 0 0 0 1 2 0 1 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 2 A T 0 0 182 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.6 11.2 20.6 11.8 2 3 A E - 0 0 77 1,-0.2 3,-0.1 2,-0.0 135,-0.0 -0.585 360.0-172.7 -77.6 123.2 13.1 17.4 11.2 3 4 A R S S+ 0 0 33 -2,-0.4 135,-2.9 1,-0.2 2,-1.0 0.742 75.3 66.5 -86.9 -26.8 11.6 15.2 8.4 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.792 59.1 170.8 -97.2 96.9 13.8 12.2 9.0 5 6 A R + 0 0 70 133,-3.1 2,-0.7 -2,-1.0 134,-0.2 0.513 55.7 85.2 -90.1 -5.3 12.7 11.0 12.4 6 7 A N > - 0 0 35 132,-0.3 4,-0.8 1,-0.2 3,-0.2 -0.885 67.7-158.3 -93.9 113.3 14.7 7.8 12.3 7 8 A V T >4 S+ 0 0 100 -2,-0.7 3,-1.0 1,-0.2 4,-0.4 0.899 84.7 55.5 -61.4 -45.8 18.1 8.7 13.5 8 9 A A G >4 S+ 0 0 71 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.871 102.8 55.3 -56.2 -42.7 20.0 5.8 11.9 9 10 A L G >4 S+ 0 0 7 1,-0.3 3,-2.2 -3,-0.2 -1,-0.3 0.743 89.4 76.6 -67.8 -21.2 18.8 6.5 8.4 10 11 A R G X< S+ 0 0 99 -3,-1.0 3,-1.7 -4,-0.8 -1,-0.3 0.789 82.2 69.1 -56.6 -27.3 20.1 10.1 8.6 11 12 A S G < S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.661 91.6 60.8 -65.7 -14.3 23.5 8.5 8.1 12 13 A K G < S+ 0 0 86 -3,-2.2 207,-2.2 -4,-0.2 -1,-0.3 0.442 74.5 121.2 -93.0 -0.7 22.4 7.8 4.5 13 14 A V B < +d 219 0B 50 -3,-1.7 207,-0.2 205,-0.2 -3,-0.0 -0.446 34.5 150.0 -69.0 132.0 21.8 11.4 3.6 14 15 A C - 0 0 31 205,-2.8 207,-0.4 -2,-0.2 -2,-0.0 -0.950 47.3 -73.9-154.1 168.7 24.0 12.5 0.6 15 16 A P > - 0 0 83 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.293 42.8-113.0 -69.3 156.9 23.9 14.9 -2.4 16 17 A A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 116.2 54.1 -52.5 -45.9 21.7 14.3 -5.4 17 18 A E H > S+ 0 0 134 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 108.7 48.0 -58.0 -46.2 24.8 13.7 -7.6 18 19 A T H >4 S+ 0 0 64 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.898 111.5 49.8 -62.5 -43.0 26.2 11.0 -5.3 19 20 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.898 105.1 58.7 -62.2 -38.7 22.9 9.2 -5.1 20 21 A S H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.789 92.2 69.0 -63.7 -25.6 22.6 9.3 -8.9 21 22 A E T << S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.719 86.0 68.3 -66.8 -19.4 25.9 7.4 -9.1 22 23 A L T < S+ 0 0 45 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.3 0.691 84.3 85.3 -69.5 -19.4 24.1 4.3 -7.7 23 24 A I < - 0 0 2 -3,-1.6 2,-0.2 -4,-0.3 3,-0.1 -0.769 68.7-163.9 -92.3 121.2 22.1 4.1 -10.9 24 25 A K > - 0 0 120 -2,-0.6 3,-2.4 1,-0.1 37,-0.1 -0.677 30.5 -83.4-109.8 155.2 23.9 2.2 -13.7 25 26 A H T 3 S+ 0 0 94 1,-0.3 38,-0.2 -2,-0.2 -1,-0.1 -0.284 118.0 20.6 -50.1 132.6 23.6 1.8 -17.4 26 27 A G T 3 S+ 0 0 30 36,-3.2 -1,-0.3 1,-0.3 37,-0.2 0.236 90.9 145.6 90.6 -12.3 21.0 -0.9 -18.1 27 28 A D < - 0 0 19 -3,-2.4 37,-2.7 35,-0.2 2,-0.6 -0.227 49.2-132.1 -60.9 144.7 19.3 -0.6 -14.7 28 29 A V E -e 64 0B 11 99,-0.4 101,-2.0 35,-0.2 102,-1.9 -0.901 30.1-167.5 -92.3 120.8 15.6 -1.1 -14.3 29 30 A V E -ef 65 130B 2 35,-3.4 37,-2.9 -2,-0.6 2,-0.5 -0.951 11.8-162.8-118.7 125.0 14.4 1.8 -12.1 30 31 A G E -ef 66 131B 0 100,-2.9 102,-2.9 -2,-0.5 2,-0.3 -0.904 19.0-177.9-104.6 132.6 11.0 2.1 -10.4 31 32 A T E - f 0 132B 1 35,-2.4 121,-0.3 -2,-0.5 102,-0.2 -0.885 29.6-111.5-128.7 158.1 9.9 5.5 -9.2 32 33 A S + 0 0 2 100,-1.6 6,-0.1 -2,-0.3 119,-0.1 -0.365 60.5 114.3 -70.2 166.9 7.1 7.3 -7.5 33 34 A G + 0 0 0 6,-0.2 36,-2.8 4,-0.2 35,-1.2 0.013 26.5 172.8 128.7 125.4 5.1 9.7 -9.6 34 35 A F B > S-K 37 0C 0 3,-1.6 3,-1.7 34,-0.3 282,-0.2 -0.953 72.1 -8.4-159.7 130.7 1.5 9.8 -10.9 35 36 A T T 3 S- 0 0 21 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.865 129.2 -52.9 38.9 50.2 -0.4 12.6 -12.8 36 37 A G T 3 S+ 0 0 1 34,-0.8 191,-1.6 1,-0.2 2,-0.4 0.687 115.7 113.8 68.7 21.0 2.5 15.0 -12.3 37 38 A A B < S+K 34 0C 3 -3,-1.7 -3,-1.6 33,-0.4 -1,-0.2 -0.982 70.4 0.3-132.6 128.3 2.6 14.5 -8.5 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.3 109,-0.2 0.623 79.2 142.5 83.4 16.1 5.1 13.0 -6.1 39 40 A Y - 0 0 0 94,-0.1 -1,-0.3 1,-0.1 -6,-0.2 -0.553 59.5 -96.6 -84.4 152.6 7.9 11.9 -8.6 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.380 43.4 175.6 -67.5 152.1 11.6 12.3 -7.7 41 42 A K > + 0 0 0 3,-0.1 4,-1.3 34,-0.1 184,-0.0 0.731 62.7 45.1-128.6 -47.4 13.1 15.5 -9.0 42 43 A E H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 110.3 49.8 -78.2 -43.6 16.7 16.1 -8.0 43 44 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.933 110.3 50.5 -63.5 -44.8 18.3 12.6 -8.6 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.918 109.7 52.3 -60.2 -40.0 16.8 12.3 -12.1 45 46 A K H X S+ 0 0 80 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.927 112.9 43.6 -58.9 -47.3 18.2 15.8 -12.9 46 47 A A H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.893 113.1 53.0 -64.4 -39.1 21.7 14.8 -11.7 47 48 A L H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.901 105.4 53.7 -62.5 -42.0 21.4 11.4 -13.5 48 49 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.886 107.1 52.4 -61.4 -38.6 20.5 13.1 -16.8 49 50 A Q H X S+ 0 0 117 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.925 111.0 45.4 -64.5 -45.9 23.7 15.3 -16.6 50 51 A R H X S+ 0 0 71 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.855 111.5 54.4 -67.1 -34.2 25.9 12.3 -16.0 51 52 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.938 108.5 47.1 -62.3 -49.5 24.1 10.5 -18.9 52 53 A E H X S+ 0 0 73 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 111.2 52.8 -60.3 -41.7 24.7 13.3 -21.3 53 54 A A H X S+ 0 0 51 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.901 110.6 47.0 -61.5 -42.5 28.4 13.5 -20.2 54 55 A A H ><>S+ 0 0 11 -4,-2.2 5,-2.5 1,-0.2 3,-1.6 0.954 110.8 51.6 -60.6 -51.6 28.8 9.7 -20.9 55 56 A H H ><5S+ 0 0 55 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.890 102.8 58.9 -54.5 -43.4 27.1 9.9 -24.3 56 57 A D H 3<5S+ 0 0 144 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.734 107.3 48.9 -58.7 -22.2 29.4 12.7 -25.3 57 58 A R T <<5S- 0 0 219 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.238 124.6-102.5-102.0 10.7 32.3 10.4 -24.7 58 59 A G T < 5S+ 0 0 74 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.726 79.3 137.6 76.0 22.5 30.8 7.5 -26.7 59 60 A E < - 0 0 120 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.878 53.3-126.1-103.5 130.4 29.7 5.8 -23.5 60 61 A K + 0 0 168 -2,-0.5 -35,-0.2 -3,-0.1 2,-0.2 -0.490 34.9 164.8 -72.6 140.7 26.3 4.2 -23.3 61 62 A Y + 0 0 15 22,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.609 15.0 132.6-159.9 93.1 24.0 5.2 -20.4 62 63 A Q - 0 0 50 -2,-0.2 -36,-3.2 23,-0.1 23,-0.3 -0.978 29.6-155.4-139.1 156.9 20.3 4.5 -20.4 63 64 A I E - g 0 85B 1 21,-2.7 23,-2.1 -2,-0.3 24,-1.1 -0.770 24.3-115.7-122.7 168.2 17.8 3.1 -18.0 64 65 A S E -eg 28 87B 4 -37,-2.7 -35,-3.4 -2,-0.3 2,-0.6 -0.954 35.7-156.0 -97.7 122.9 14.4 1.3 -18.0 65 66 A L E +eg 29 88B 0 22,-2.8 24,-2.1 -2,-0.6 2,-0.5 -0.912 15.8 178.1-110.4 111.8 12.0 3.7 -16.2 66 67 A I E +eg 30 89B 0 -37,-2.9 -35,-2.4 -2,-0.6 2,-0.2 -0.953 14.7 170.7-112.8 130.6 8.9 2.2 -14.6 67 68 A T - 0 0 0 22,-2.0 -35,-0.1 -2,-0.5 -34,-0.1 -0.507 48.8-106.2-124.9-173.7 6.6 4.7 -12.8 68 69 A G S S- 0 0 0 -35,-1.2 -34,-0.3 1,-0.3 -1,-0.2 0.909 89.2 -63.8 -76.3 -66.9 3.2 5.0 -11.2 69 70 A A S S+ 0 0 1 -36,-2.8 22,-0.3 1,-0.4 -1,-0.3 -0.456 98.7 0.0-147.5-127.5 2.0 7.0 -14.1 70 71 A S - 0 0 2 -2,-0.2 -34,-0.8 22,-0.1 -33,-0.4 -0.279 57.9-177.3 -69.5 155.0 3.0 10.4 -15.6 71 72 A T - 0 0 1 -36,-0.2 156,-0.1 -35,-0.2 -1,-0.1 0.268 21.5-106.7-116.9-117.6 5.8 12.4 -13.9 72 73 A G >>> - 0 0 2 154,-0.1 5,-1.7 -37,-0.0 3,-1.2 -0.945 40.4 -65.1-167.9-173.7 7.1 15.8 -14.9 73 74 A P T 34>S+ 0 0 63 0, 0.0 5,-1.7 0, 0.0 6,-0.1 0.828 122.5 57.6 -58.2 -34.9 9.9 17.9 -16.4 74 75 A Q T 345S+ 0 0 24 3,-0.2 -33,-0.0 4,-0.1 5,-0.0 0.733 123.3 19.5 -70.1 -24.4 12.4 17.0 -13.7 75 76 A L T <>5S+ 0 0 2 -3,-1.2 4,-2.5 3,-0.1 5,-0.3 0.758 136.1 23.7-108.7 -79.1 12.1 13.3 -14.5 76 77 A D H X5S+ 0 0 0 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.913 127.3 50.5 -56.7 -42.9 10.6 12.3 -17.9 77 78 A G H >S+ 0 0 2 -4,-2.5 5,-2.8 2,-0.2 6,-0.3 0.880 113.2 48.9 -68.2 -35.8 15.9 12.0 -18.9 80 81 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.901 108.5 53.6 -68.2 -40.2 14.3 12.3 -22.4 81 82 A K H 3<5S+ 0 0 118 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.899 110.7 47.9 -57.2 -38.4 16.4 15.3 -23.2 82 83 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.474 109.0-126.5 -80.1 -2.4 19.4 13.3 -22.3 83 84 A N T < 5 + 0 0 56 -3,-1.4 -3,-0.2 -4,-0.2 -22,-0.2 0.923 65.1 141.5 52.1 46.0 18.2 10.4 -24.4 84 85 A G < + 0 0 0 -5,-2.8 -21,-2.7 -6,-0.1 2,-0.5 0.246 35.4 81.8-104.5 12.4 18.7 8.3 -21.3 85 86 A V E +g 63 0B 0 -23,-0.3 -21,-0.2 -6,-0.3 3,-0.1 -0.948 38.9 174.8-128.2 116.3 15.7 5.9 -21.4 86 87 A Y E S+ 0 0 85 -23,-2.1 21,-2.4 -2,-0.5 2,-0.3 0.767 79.1 20.7 -87.3 -25.8 15.6 2.7 -23.4 87 88 A F E -gh 64 107B 13 -24,-1.1 -22,-2.8 19,-0.2 2,-0.4 -0.996 66.4-171.8-145.6 138.0 12.3 1.5 -22.1 88 89 A R E -gh 65 108B 0 19,-2.7 21,-1.5 -2,-0.3 -22,-0.2 -0.990 13.8-146.0-132.6 138.0 9.4 3.4 -20.4 89 90 A S E -g 66 0B 0 -24,-2.1 -22,-2.0 -2,-0.4 21,-0.1 -0.959 46.8 -15.9-159.1 150.1 6.2 2.2 -18.7 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.983 106.2 -2.4-112.6 -0.1 3.3 2.6 -18.1 91 92 A F + 0 0 30 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.940 50.6 177.4-161.4 129.8 2.2 6.2 -18.7 92 93 A N + 0 0 2 291,-1.3 -22,-0.1 -2,-0.3 -4,-0.0 -0.981 17.4 171.7-136.7 144.5 3.8 9.4 -19.9 93 94 A T + 0 0 38 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.283 46.4 118.7-128.6 2.9 2.6 12.9 -20.6 94 95 A D > - 0 0 26 1,-0.1 4,-2.4 -22,-0.1 5,-0.1 -0.543 59.8-141.0 -74.8 136.2 6.0 14.7 -21.0 95 96 A A H > S+ 0 0 57 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.858 99.4 46.9 -67.4 -37.6 6.4 16.2 -24.5 96 97 A T H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 114.1 47.5 -71.8 -44.1 10.1 15.3 -24.9 97 98 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 109.0 55.5 -60.5 -41.7 9.5 11.7 -23.7 98 99 A R H X S+ 0 0 45 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.918 106.7 50.8 -56.6 -43.7 6.6 11.5 -26.1 99 100 A N H X S+ 0 0 105 -4,-1.8 4,-1.4 1,-0.2 6,-0.2 0.923 108.6 50.7 -62.0 -42.5 8.9 12.5 -29.0 100 101 A R H <>S+ 0 0 53 -4,-2.1 5,-2.6 1,-0.2 6,-1.4 0.911 112.3 48.3 -59.4 -43.1 11.4 9.8 -28.0 101 102 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.3 4,-0.2 -2,-0.2 0.946 112.4 47.0 -62.9 -48.5 8.7 7.2 -27.9 102 103 A N H 3<5S+ 0 0 15 -4,-2.7 891,-1.9 1,-0.3 -1,-0.2 0.655 111.0 52.2 -72.9 -13.5 7.2 8.3 -31.3 103 104 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.444 115.2-115.6 -93.4 -3.8 10.7 8.3 -32.9 104 105 A G T < 5S+ 0 0 39 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.684 86.1 117.8 76.3 18.4 11.3 4.8 -31.7 105 106 A E S > - 0 0 0 1,-0.1 3,-1.8 828,-0.1 4,-0.8 -0.395 44.3-128.1 -49.7 129.6 -3.4 -0.9 -17.5 113 114 A L G >4 S+ 0 0 1 273,-1.7 3,-0.7 1,-0.3 4,-0.4 0.853 105.8 54.2 -61.0 -35.1 -2.4 1.2 -14.5 114 115 A G G 34 S+ 0 0 3 1,-0.2 -1,-0.3 232,-0.2 4,-0.3 0.623 110.0 49.3 -73.3 -12.0 -4.0 -1.2 -12.0 115 116 A Q G <> S+ 0 0 18 -3,-1.8 4,-2.4 2,-0.1 5,-0.3 0.538 83.6 89.9-100.7 -14.8 -2.1 -4.1 -13.4 116 117 A V H S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.906 111.9 48.5 -58.2 -45.0 2.3 -3.7 -9.9 118 119 A G H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.893 112.3 47.4 -64.2 -41.5 1.3 -7.3 -10.6 119 120 A R H X>S+ 0 0 21 -4,-2.4 5,-2.3 2,-0.2 4,-0.7 0.860 110.9 53.2 -71.2 -30.0 3.2 -7.5 -13.8 120 121 A A H ><5S+ 0 0 3 -4,-2.5 3,-0.9 -5,-0.3 -2,-0.2 0.940 110.1 46.1 -66.6 -46.9 6.2 -6.0 -12.1 121 122 A V H 3<5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 107.8 58.7 -62.7 -35.4 6.1 -8.7 -9.3 122 123 A Q H 3<5S- 0 0 30 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.721 118.9-114.3 -65.9 -21.4 5.6 -11.3 -12.1 123 124 A G T X<5S+ 0 0 39 -3,-0.9 3,-1.8 -4,-0.7 -3,-0.2 0.512 72.2 137.1 101.4 8.3 8.9 -10.2 -13.5 124 125 A N T 3 - 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0 0 8 -4,-2.8 8,-0.1 -5,-0.2 -4,-0.0 -0.289 67.4-120.0 -68.6 148.7 4.3 5.5 -40.8 991 478 B F S S+ 0 0 75 6,-0.4 2,-0.3 -614,-0.2 -1,-0.1 0.905 102.3 14.7 -50.2 -49.8 2.8 8.7 -39.3 992 479 B G - 0 0 3 3,-0.2 5,-0.4 5,-0.1 -612,-0.2 -0.896 68.7-143.7-122.4 158.7 4.2 7.7 -35.9 993 480 B K S S+ 0 0 52 -891,-1.9 -613,-0.1 -2,-0.3 -890,-0.1 0.415 84.1 83.4-103.8 1.7 6.8 5.0 -35.1 994 481 B H S S+ 0 0 9 -615,-0.9 -34,-0.5 1,-0.3 -614,-0.2 0.918 117.1 6.5 -67.9 -45.1 5.4 3.8 -31.8 995 482 B T S S- 0 0 2 -616,-1.6 -1,-0.3 -36,-0.1 -3,-0.2 -0.636 93.8-149.2-136.6 75.7 2.9 1.4 -33.6 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.194 25.4 165.1 -58.3 127.5 4.0 1.7 -37.2 997 484 B H - 0 0 10 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.971 37.0-145.5-136.8 156.4 1.2 1.3 -39.8 998 485 B L >> - 0 0 19 -2,-0.3 3,-1.8 -8,-0.1 4,-1.6 -0.919 18.5-165.9-115.4 99.2 0.6 1.9 -43.5 999 486 B L T 34 S+ 0 0 13 -2,-0.6 4,-0.4 1,-0.3 -510,-0.2 0.746 82.3 65.2 -64.2 -23.3 -3.1 2.8 -43.5 1000 487 B T T 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 -510,-0.1 0.792 121.7 18.7 -66.9 -24.7 -3.3 2.4 -47.3 1001 488 B E T X4 S+ 0 0 46 -3,-1.8 3,-1.6 2,-0.1 4,-0.4 0.456 90.3 104.2-127.1 2.0 -2.6 -1.3 -46.9 1002 489 B A T 3< S+ 0 0 0 -4,-1.6 -71,-0.7 1,-0.3 3,-0.3 0.867 99.7 28.0 -53.0 -41.9 -3.3 -2.2 -43.2 1003 490 B L T 3> S+ 0 0 6 -4,-0.4 4,-2.0 -518,-0.2 3,-0.3 0.276 93.0 105.6-102.3 11.9 -6.6 -3.9 -44.2 1004 491 B S H <> S+ 0 0 34 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.719 73.0 57.2 -70.2 -23.4 -5.6 -4.8 -47.7 1005 492 B W H > S+ 0 0 7 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.893 107.7 48.1 -72.6 -39.9 -5.1 -8.5 -47.0 1006 493 B H H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.938 112.9 47.9 -64.4 -45.0 -8.7 -8.8 -45.8 1007 494 B Q H X S+ 0 0 31 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.890 107.6 56.6 -61.9 -37.4 -9.9 -7.0 -48.9 1008 495 B R H X S+ 0 0 61 -4,-2.0 4,-2.6 1,-0.2 6,-0.6 0.919 107.8 48.5 -59.4 -40.8 -7.7 -9.3 -51.0 1009 496 B F H X S+ 0 0 32 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.912 111.1 49.3 -65.7 -43.5 -9.6 -12.2 -49.5 1010 497 B I H < S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.5 40.4 -58.3 -44.2 -13.0 -10.6 -50.1 1011 498 B D H < S+ 0 0 111 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.831 134.9 12.9 -74.2 -35.6 -12.0 -9.9 -53.8 1012 499 B T H < S- 0 0 90 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.521 95.6-111.5-126.7 -12.8 -10.1 -13.1 -54.7 1013 500 B G S < S+ 0 0 31 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.482 91.2 68.5 89.8 1.7 -10.8 -15.7 -52.1 1014 501 B T - 0 0 33 -6,-0.6 -2,-0.2 2,-0.1 -89,-0.2 -0.994 66.9-143.9-151.7 148.2 -7.2 -15.7 -50.8 1015 502 B M S S+ 0 0 0 -91,-2.8 -90,-0.1 -2,-0.3 -91,-0.1 0.555 81.6 95.4 -82.8 -12.2 -4.8 -13.4 -48.9 1016 503 B L S S- 0 0 55 -92,-0.3 -2,-0.1 -8,-0.1 -41,-0.1 -0.705 81.0-125.0 -79.7 124.4 -2.0 -14.8 -51.1 1017 504 B P 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.163 360.0 360.0 -65.6 166.1 -1.4 -12.4 -54.0 1018 505 B S 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.075 360.0 360.0 -38.4 360.0 -1.5 -13.7 -57.6