==== 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 4EU7 . 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) . 33515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 5.7 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 . 68 6.7 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 . 249 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 4 2 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 7 11 6 0 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 6 2 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 2 0 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 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 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.4 11.1 -20.5 -11.7 2 3 A E - 0 0 76 1,-0.1 3,-0.1 2,-0.1 135,-0.0 -0.568 360.0-165.6 -73.1 127.2 13.2 -17.5 -10.8 3 4 A R S S+ 0 0 34 -2,-0.3 135,-2.9 1,-0.2 2,-1.0 0.728 77.6 68.6 -85.6 -25.1 11.6 -15.3 -8.1 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.785 58.6 170.0 -96.7 97.5 13.9 -12.3 -8.8 5 6 A R + 0 0 69 133,-3.0 2,-0.7 -2,-1.0 134,-0.2 0.509 55.7 84.3 -91.8 -4.9 12.7 -11.1 -12.2 6 7 A N > - 0 0 34 132,-0.3 4,-0.6 1,-0.2 3,-0.1 -0.894 68.4-158.3 -93.5 116.2 14.6 -7.9 -12.1 7 8 A V T >4 S+ 0 0 94 -2,-0.7 3,-1.2 1,-0.2 4,-0.4 0.909 85.1 56.4 -66.2 -43.0 18.1 -8.8 -13.3 8 9 A A G >4 S+ 0 0 74 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.882 102.3 56.3 -55.9 -42.7 20.0 -5.9 -11.9 9 10 A L G >4 S+ 0 0 4 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.721 88.8 75.7 -67.2 -18.0 18.7 -6.6 -8.3 10 11 A R G X< S+ 0 0 98 -3,-1.2 3,-1.5 -4,-0.6 -1,-0.3 0.762 82.6 69.2 -64.1 -22.3 20.1 -10.2 -8.4 11 12 A S G < S+ 0 0 112 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.634 91.6 60.9 -70.3 -12.6 23.6 -8.7 -7.9 12 13 A K G < S+ 0 0 60 -3,-1.9 207,-2.1 -4,-0.2 -1,-0.3 0.385 75.6 121.3 -96.0 4.3 22.5 -7.7 -4.4 13 14 A V B < +b 219 0A 49 -3,-1.5 207,-0.2 205,-0.2 -3,-0.0 -0.454 34.1 151.5 -69.2 134.6 21.9 -11.3 -3.4 14 15 A C - 0 0 34 205,-2.6 207,-0.3 -2,-0.2 -2,-0.0 -0.971 46.7 -72.9-156.2 168.4 24.0 -12.5 -0.4 15 16 A P > - 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.274 42.4-115.3 -66.7 155.2 24.0 -14.9 2.6 16 17 A A H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.886 115.0 54.4 -53.5 -44.5 21.7 -14.2 5.6 17 18 A E H > S+ 0 0 137 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.928 108.9 47.1 -59.8 -47.1 24.7 -13.8 7.9 18 19 A T H >4 S+ 0 0 67 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.894 111.1 51.8 -62.3 -41.8 26.2 -11.1 5.7 19 20 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.904 103.6 58.7 -61.0 -39.5 22.9 -9.3 5.4 20 21 A S H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.790 92.3 69.0 -63.8 -24.8 22.6 -9.3 9.2 21 22 A E T << S+ 0 0 90 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.673 85.6 69.1 -68.3 -16.2 25.9 -7.4 9.5 22 23 A L T < S+ 0 0 44 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.3 0.671 84.1 84.5 -72.2 -17.2 24.2 -4.3 8.0 23 24 A I < - 0 0 1 -3,-1.7 2,-0.3 -4,-0.3 3,-0.1 -0.799 69.3-163.5 -94.6 121.4 22.1 -4.0 11.2 24 25 A K > - 0 0 119 -2,-0.6 3,-2.4 1,-0.1 37,-0.1 -0.695 30.5 -83.4-110.0 154.8 24.0 -2.1 13.9 25 26 A H T 3 S+ 0 0 94 -2,-0.3 38,-0.2 1,-0.3 -1,-0.1 -0.279 117.8 21.6 -49.3 131.2 23.6 -1.7 17.6 26 27 A G T 3 S+ 0 0 30 36,-3.4 -1,-0.3 1,-0.3 37,-0.2 0.182 90.0 144.1 94.2 -16.8 21.0 0.9 18.3 27 28 A D < - 0 0 20 -3,-2.4 37,-2.7 35,-0.2 2,-0.6 -0.206 49.6-133.1 -59.2 144.6 19.3 0.7 14.9 28 29 A V E -c 64 0A 11 99,-0.5 101,-2.0 35,-0.2 102,-1.7 -0.900 29.7-167.8 -92.4 123.8 15.5 1.1 14.5 29 30 A V E -cd 65 130A 2 35,-3.3 37,-3.0 -2,-0.6 2,-0.5 -0.970 12.0-161.7-122.2 122.3 14.4 -1.8 12.3 30 31 A G E -cd 66 131A 0 100,-2.7 102,-2.7 -2,-0.5 2,-0.3 -0.894 19.9-176.4-101.2 130.2 11.0 -2.1 10.7 31 32 A T E - d 0 132A 1 35,-2.7 121,-0.3 -2,-0.5 102,-0.2 -0.852 28.7-110.9-124.1 160.4 9.9 -5.5 9.5 32 33 A S + 0 0 2 100,-1.6 6,-0.1 -2,-0.3 119,-0.1 -0.370 61.0 112.1 -69.4 164.3 7.2 -7.4 7.7 33 34 A G + 0 0 0 6,-0.2 36,-2.8 4,-0.2 35,-1.1 0.039 26.7 172.3 129.6 125.9 5.1 -9.7 9.9 34 35 A F B > S-K 37 0B 0 3,-1.6 3,-1.8 34,-0.3 282,-0.2 -0.957 72.7 -5.9-158.8 134.8 1.5 -9.8 11.1 35 36 A T T 3 S- 0 0 24 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.862 129.0 -54.5 37.8 50.2 -0.4 -12.6 13.0 36 37 A G T 3 S+ 0 0 1 34,-0.9 191,-1.7 1,-0.2 2,-0.4 0.724 115.6 114.6 66.8 22.1 2.6 -15.0 12.6 37 38 A A B < S+K 34 0B 4 -3,-1.8 -3,-1.6 33,-0.5 -1,-0.2 -0.984 70.7 0.2-132.4 127.2 2.6 -14.5 8.8 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.3 109,-0.2 0.605 79.5 143.8 84.3 12.8 5.1 -13.0 6.4 39 40 A Y - 0 0 0 94,-0.1 -1,-0.3 1,-0.1 -6,-0.2 -0.523 58.9 -97.8 -80.4 150.1 7.8 -12.0 8.9 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.399 43.6 176.1 -67.6 151.9 11.5 -12.2 7.9 41 42 A K > + 0 0 0 3,-0.1 4,-1.3 -2,-0.1 184,-0.0 0.753 61.8 44.7-127.2 -49.3 13.1 -15.4 9.2 42 43 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.888 110.6 50.5 -78.7 -39.5 16.8 -16.1 8.2 43 44 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 109.9 50.9 -67.4 -43.0 18.3 -12.6 8.8 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.912 109.6 51.5 -59.0 -41.5 16.8 -12.3 12.3 45 46 A K H X S+ 0 0 71 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.920 112.5 44.7 -60.3 -46.2 18.2 -15.8 13.2 46 47 A A H X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 113.0 52.3 -63.5 -39.4 21.7 -14.8 12.0 47 48 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.902 106.2 53.3 -63.2 -44.0 21.4 -11.4 13.8 48 49 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.899 107.8 51.2 -59.2 -42.4 20.5 -13.1 17.1 49 50 A Q H X S+ 0 0 119 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.922 111.4 46.5 -61.5 -46.1 23.6 -15.3 16.9 50 51 A R H X S+ 0 0 73 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.855 111.5 53.0 -67.6 -34.8 25.8 -12.3 16.3 51 52 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.936 108.4 49.1 -61.9 -48.7 24.1 -10.5 19.2 52 53 A E H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 110.8 51.2 -59.9 -42.2 24.7 -13.3 21.6 53 54 A A H X S+ 0 0 52 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.901 110.6 48.6 -62.5 -41.8 28.3 -13.5 20.6 54 55 A A H ><>S+ 0 0 9 -4,-2.1 5,-2.4 1,-0.2 3,-1.7 0.961 110.6 50.5 -59.2 -53.3 28.7 -9.7 21.2 55 56 A H H ><5S+ 0 0 57 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.868 102.5 60.2 -56.0 -40.2 27.1 -9.9 24.6 56 57 A D H 3<5S+ 0 0 141 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 107.3 47.5 -61.9 -20.5 29.3 -12.8 25.6 57 58 A R T <<5S- 0 0 218 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.202 124.8-102.1-103.8 11.0 32.3 -10.4 25.1 58 59 A G T < 5S+ 0 0 74 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.737 78.5 138.3 77.1 23.0 30.7 -7.6 27.0 59 60 A E < - 0 0 120 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.896 52.8-125.7-105.4 127.2 29.7 -5.8 23.8 60 61 A K + 0 0 167 -2,-0.5 2,-0.2 -3,-0.1 -35,-0.2 -0.445 35.1 164.8 -68.1 137.1 26.2 -4.1 23.6 61 62 A Y + 0 0 14 22,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.671 15.1 135.1-156.4 96.0 24.1 -5.2 20.7 62 63 A Q - 0 0 50 -2,-0.2 -36,-3.4 23,-0.1 2,-0.3 -0.984 28.2-157.6-140.9 154.3 20.4 -4.4 20.7 63 64 A I E - e 0 85A 3 21,-2.6 23,-2.0 -2,-0.3 24,-1.1 -0.791 24.9-116.7-121.7 167.2 17.8 -3.0 18.2 64 65 A S E -ce 28 87A 4 -37,-2.7 -35,-3.3 -2,-0.3 2,-0.6 -0.952 35.3-156.1 -97.3 123.7 14.4 -1.3 18.2 65 66 A L E +ce 29 88A 1 22,-2.7 24,-1.9 -2,-0.6 2,-0.5 -0.915 15.2 178.6-111.2 112.9 12.0 -3.7 16.5 66 67 A I E +ce 30 89A 0 -37,-3.0 -35,-2.7 -2,-0.6 2,-0.2 -0.963 13.8 170.1-114.5 129.8 8.9 -2.2 14.9 67 68 A T - 0 0 0 22,-2.0 -35,-0.1 -2,-0.5 -34,-0.1 -0.521 48.4-107.0-124.9-174.2 6.6 -4.7 13.1 68 69 A G S S- 0 0 0 -35,-1.1 -34,-0.3 1,-0.2 -1,-0.2 0.914 89.0 -61.6 -76.3 -66.8 3.2 -5.0 11.4 69 70 A A S S- 0 0 2 -36,-2.8 22,-0.3 1,-0.4 -1,-0.2 -0.407 99.2 -0.7-145.2-126.9 2.0 -7.0 14.4 70 71 A S - 0 0 3 -2,-0.2 -34,-0.9 22,-0.1 -33,-0.5 -0.312 57.0-177.8 -71.7 154.3 3.0 -10.4 15.8 71 72 A T - 0 0 1 -36,-0.2 156,-0.2 -35,-0.2 -1,-0.1 0.311 21.3-107.3-116.1-116.0 5.8 -12.4 14.2 72 73 A G >>> - 0 0 2 154,-0.1 5,-1.8 1,-0.0 3,-1.2 -0.951 40.1 -64.6-169.9-175.2 7.2 -15.8 15.2 73 74 A P T 34>S+ 0 0 66 0, 0.0 5,-1.8 0, 0.0 6,-0.1 0.832 122.2 57.0 -56.8 -38.2 9.9 -17.9 16.7 74 75 A Q T 345S+ 0 0 21 3,-0.2 -33,-0.0 4,-0.1 5,-0.0 0.728 123.9 19.8 -69.1 -22.1 12.5 -17.0 14.1 75 76 A L T <>5S+ 0 0 2 -3,-1.2 4,-2.4 3,-0.1 5,-0.3 0.757 136.0 23.8-111.9 -79.0 12.1 -13.3 14.8 76 77 A D H X5S+ 0 0 0 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.920 128.3 49.4 -56.6 -43.3 10.6 -12.3 18.2 77 78 A G H >S+ 0 0 2 -4,-2.4 5,-2.6 1,-0.2 6,-0.2 0.903 113.3 48.7 -64.7 -40.0 15.9 -12.0 19.2 80 81 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.903 107.8 53.7 -66.1 -40.5 14.3 -12.3 22.7 81 82 A K H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.886 111.2 48.0 -58.8 -36.7 16.4 -15.3 23.5 82 83 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.436 108.9-126.0 -81.9 -0.1 19.4 -13.2 22.6 83 84 A N T < 5 + 0 0 53 -3,-1.6 -3,-0.2 -4,-0.2 -22,-0.2 0.914 65.2 141.1 51.4 45.5 18.2 -10.3 24.7 84 85 A G < + 0 0 0 -5,-2.6 -21,-2.6 -6,-0.1 2,-0.5 0.231 35.9 82.5-104.4 12.3 18.7 -8.3 21.6 85 86 A V E +e 63 0A 0 -23,-0.3 -21,-0.2 -6,-0.2 3,-0.1 -0.931 39.1 174.3-127.8 113.4 15.7 -5.9 21.7 86 87 A Y E S+ 0 0 85 -23,-2.0 21,-2.4 -2,-0.5 2,-0.3 0.783 79.2 18.9 -84.4 -27.4 15.7 -2.7 23.7 87 88 A F E -ef 64 107A 13 -24,-1.1 -22,-2.7 19,-0.2 2,-0.4 -0.996 66.8-172.2-145.0 139.7 12.3 -1.5 22.4 88 89 A R E -ef 65 108A 0 19,-2.6 21,-1.5 -2,-0.3 -22,-0.2 -0.991 13.5-146.2-135.4 139.7 9.4 -3.3 20.7 89 90 A S E -e 66 0A 0 -24,-1.9 -22,-2.0 -2,-0.4 21,-0.1 -0.948 46.6 -14.2-161.6 149.3 6.2 -2.1 19.0 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.990 106.2 -4.3-110.5 -4.0 3.3 -2.5 18.4 91 92 A F + 0 0 34 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.943 50.9 177.4-161.5 129.1 2.2 -6.1 19.0 92 93 A N + 0 0 2 291,-1.2 -22,-0.1 -2,-0.3 -4,-0.0 -0.974 17.1 173.4-135.7 146.9 3.8 -9.4 20.1 93 94 A T + 0 0 39 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.276 47.0 117.6-130.2 3.0 2.6 -12.9 20.9 94 95 A D > - 0 0 26 1,-0.1 4,-2.5 -22,-0.1 5,-0.1 -0.572 60.1-141.2 -76.1 138.1 6.0 -14.7 21.4 95 96 A A H > S+ 0 0 54 -2,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.856 98.9 48.2 -71.0 -37.3 6.4 -16.1 24.9 96 97 A T H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 113.9 47.1 -69.3 -43.3 10.1 -15.2 25.2 97 98 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 109.4 55.3 -62.3 -42.8 9.5 -11.7 24.0 98 99 A R H X S+ 0 0 45 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.932 107.4 50.0 -54.2 -46.1 6.6 -11.5 26.4 99 100 A N H X S+ 0 0 103 -4,-2.1 4,-1.4 1,-0.2 6,-0.3 0.912 108.8 50.8 -61.0 -42.6 8.9 -12.4 29.3 100 101 A R H <>S+ 0 0 54 -4,-2.1 5,-2.3 1,-0.2 6,-1.6 0.902 112.2 48.5 -60.5 -41.4 11.5 -9.8 28.3 101 102 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.2 4,-0.2 -2,-0.2 0.944 112.3 47.1 -62.6 -49.5 8.7 -7.2 28.2 102 103 A N H 3<5S+ 0 0 16 -4,-2.8 891,-1.8 1,-0.3 -1,-0.2 0.647 111.3 52.1 -72.5 -13.0 7.3 -8.2 31.6 103 104 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.486 114.6-115.6 -93.4 -6.9 10.7 -8.2 33.2 104 105 A G T < 5S+ 0 0 36 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.616 86.5 116.6 80.7 12.8 11.4 -4.7 31.9 105 106 A E S > - 0 0 0 1,-0.1 3,-1.8 828,-0.1 4,-0.8 -0.370 44.1-127.5 -48.2 128.3 -3.4 1.0 17.8 113 114 A L G >4 S+ 0 0 2 273,-1.7 3,-0.9 1,-0.3 4,-0.5 0.872 105.6 53.1 -58.0 -40.0 -2.4 -1.1 14.7 114 115 A G G 34 S+ 0 0 3 1,-0.2 -1,-0.3 232,-0.2 4,-0.3 0.586 110.2 50.1 -72.6 -9.2 -4.0 1.2 12.2 115 116 A Q G <> S+ 0 0 16 -3,-1.8 4,-2.5 2,-0.1 -1,-0.2 0.527 84.0 88.7-101.3 -14.4 -2.1 4.1 13.6 116 117 A V H S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.925 112.4 48.4 -57.0 -46.6 2.3 3.7 10.1 118 119 A G H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.897 111.9 47.8 -62.8 -42.4 1.3 7.3 10.8 119 120 A R H X>S+ 0 0 23 -4,-2.5 5,-2.4 2,-0.2 4,-0.7 0.878 110.7 52.9 -69.2 -33.3 3.2 7.5 14.0 120 121 A A H ><5S+ 0 0 3 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.930 110.1 47.2 -64.1 -45.3 6.2 6.0 12.3 121 122 A V H 3<5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.2 57.5 -63.0 -35.7 6.0 8.7 9.6 122 123 A Q H 3<5S- 0 0 30 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.681 119.6-114.4 -67.9 -17.6 5.6 11.4 12.3 123 124 A G T X<5S+ 0 0 38 -3,-0.9 3,-1.7 -4,-0.7 -3,-0.2 0.557 71.4 138.6 97.5 13.2 8.9 10.2 13.7 124 125 A N T 3 - 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0 0 8 -4,-2.7 8,-0.1 -5,-0.2 -4,-0.0 -0.296 67.4-121.1 -68.4 147.2 4.3 -5.4 41.1 991 478 B F S S+ 0 0 75 6,-0.4 2,-0.3 -614,-0.2 -1,-0.1 0.935 102.2 14.3 -47.7 -54.7 2.8 -8.6 39.7 992 479 B G - 0 0 2 3,-0.2 5,-0.4 -616,-0.1 -612,-0.2 -0.867 69.2-143.6-118.4 160.8 4.3 -7.6 36.3 993 480 B K S S+ 0 0 56 -891,-1.8 -613,-0.1 -2,-0.3 -890,-0.1 0.403 84.0 83.2-104.1 2.4 6.9 -4.9 35.5 994 481 B H S S+ 0 0 8 -615,-1.0 -34,-0.5 1,-0.3 -614,-0.2 0.905 116.6 7.4 -72.6 -40.9 5.4 -3.7 32.2 995 482 B T S S- 0 0 3 -616,-1.6 -1,-0.3 -36,-0.1 -3,-0.2 -0.652 94.1-149.3-136.3 77.6 3.0 -1.4 33.9 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.207 25.7 163.2 -58.8 130.6 4.0 -1.6 37.6 997 484 B H - 0 0 11 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.978 38.1-144.6-140.8 155.8 1.2 -1.1 40.2 998 485 B L >> - 0 0 18 -2,-0.3 3,-2.0 -8,-0.1 4,-1.7 -0.931 18.4-164.3-113.6 101.8 0.6 -1.8 43.8 999 486 B L T 34 S+ 0 0 15 -2,-0.6 4,-0.4 1,-0.3 -510,-0.2 0.745 85.2 62.0 -64.7 -22.7 -3.1 -2.7 43.8 1000 487 B T T 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 -510,-0.0 0.732 120.5 24.3 -69.8 -21.2 -3.3 -2.2 47.6 1001 488 B E T X4 S+ 0 0 53 -3,-2.0 3,-1.6 2,-0.1 4,-0.4 0.509 92.0 99.4-119.8 -12.4 -2.4 1.4 47.1 1002 489 B A T 3< S+ 0 0 0 -4,-1.7 -71,-0.8 1,-0.3 3,-0.2 0.833 100.1 25.2 -52.8 -41.8 -3.4 2.3 43.6 1003 490 B L T 3> S+ 0 0 6 -4,-0.4 4,-2.0 -518,-0.2 -1,-0.3 0.263 94.4 105.0-105.2 10.8 -6.7 4.0 44.5 1004 491 B S H <> S+ 0 0 33 -3,-1.6 4,-1.9 1,-0.2 -1,-0.1 0.712 72.9 57.6 -69.6 -23.5 -5.6 4.9 48.0 1005 492 B W H > S+ 0 0 8 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.892 107.8 48.6 -73.3 -40.0 -5.1 8.6 47.3 1006 493 B H H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.941 112.5 47.5 -60.4 -48.6 -8.7 8.9 46.2 1007 494 B Q H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.877 108.0 56.8 -62.5 -35.3 -9.9 7.1 49.3 1008 495 B R H X S+ 0 0 65 -4,-1.9 4,-2.6 2,-0.2 6,-0.6 0.910 107.4 48.5 -60.6 -40.5 -7.7 9.4 51.4 1009 496 B F H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 111.3 49.1 -65.7 -44.8 -9.6 12.3 49.9 1010 497 B I H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.929 118.6 41.0 -56.0 -44.7 -13.0 10.8 50.5 1011 498 B D H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.854 134.3 12.8 -73.7 -38.8 -11.9 10.0 54.1 1012 499 B T H < S- 0 0 83 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.489 95.5-112.0-124.8 -10.7 -10.0 13.2 55.1 1013 500 B G S < S+ 0 0 33 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.452 91.2 69.7 86.8 0.8 -10.8 15.8 52.5 1014 501 B T - 0 0 35 -6,-0.6 -2,-0.3 2,-0.1 -89,-0.2 -0.998 66.9-144.3-149.6 151.1 -7.2 15.8 51.2 1015 502 B M S S+ 0 0 0 -91,-2.4 -90,-0.1 -2,-0.3 -6,-0.1 0.555 78.8 97.3 -86.4 -11.1 -4.8 13.6 49.3 1016 503 B L S S- 0 0 53 -92,-0.2 -2,-0.1 1,-0.1 -41,-0.1 -0.660 82.4-115.7 -80.9 131.3 -1.9 14.8 51.4 1017 504 B P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.178 360.0 360.0 -59.0 158.2 -1.0 12.6 54.3 1018 505 B S 0 0 168 -4,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.312 360.0 360.0 -67.2 360.0 -1.4 13.9 57.8