==== 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 4EU3 . 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) . 33570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 689 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 14.4 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 . 57 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 24.7 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 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 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 0 177 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 11.3 20.8 11.5 2 3 A E - 0 0 77 1,-0.1 3,-0.1 2,-0.1 0, 0.0 -0.473 360.0-168.1 -71.4 129.4 13.2 17.7 10.6 3 4 A R S S+ 0 0 35 -2,-0.2 135,-2.9 1,-0.2 2,-1.0 0.728 77.8 67.8 -87.8 -24.7 11.7 15.5 7.9 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.786 59.1 171.2 -97.9 96.8 13.9 12.5 8.5 5 6 A R + 0 0 71 133,-3.0 2,-0.7 -2,-1.0 134,-0.2 0.579 56.6 82.8 -88.6 -7.4 12.7 11.3 11.9 6 7 A N > - 0 0 35 132,-0.3 4,-0.7 1,-0.2 3,-0.3 -0.870 69.1-156.8 -94.0 114.3 14.7 8.1 11.9 7 8 A V T >4 S+ 0 0 98 -2,-0.7 3,-1.2 1,-0.2 4,-0.4 0.899 85.9 57.3 -62.4 -43.4 18.1 9.1 13.1 8 9 A A G >4 S+ 0 0 74 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.880 102.1 55.6 -56.5 -40.6 20.0 6.2 11.5 9 10 A L G >4 S+ 0 0 4 -3,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.719 88.5 76.1 -70.4 -17.4 18.8 7.0 8.0 10 11 A R G X< S+ 0 0 99 -3,-1.2 3,-1.4 -4,-0.7 -1,-0.3 0.783 84.7 67.6 -60.9 -23.3 20.1 10.5 8.2 11 12 A S G < S+ 0 0 111 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.639 91.7 60.4 -72.2 -13.7 23.5 8.9 7.7 12 13 A K G < S+ 0 0 60 -3,-2.0 207,-2.0 -4,-0.2 -1,-0.3 0.419 76.3 121.0 -93.3 0.4 22.5 8.0 4.1 13 14 A V B < +b 219 0A 49 -3,-1.4 207,-0.2 205,-0.2 -3,-0.0 -0.430 33.9 147.9 -66.5 134.0 21.9 11.6 3.1 14 15 A C - 0 0 33 205,-2.4 207,-0.3 -2,-0.1 -2,-0.0 -0.958 48.3 -70.6-157.3 170.0 24.0 12.7 0.1 15 16 A P > - 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.304 42.2-115.3 -68.3 156.5 24.0 15.0 -2.9 16 17 A A H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 115.4 55.4 -55.6 -41.7 21.8 14.3 -5.9 17 18 A E H > S+ 0 0 133 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.930 108.7 47.1 -60.3 -45.4 24.8 13.8 -8.2 18 19 A T H >4 S+ 0 0 64 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.899 111.5 50.9 -62.0 -42.7 26.2 11.1 -5.8 19 20 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.901 104.1 58.2 -62.7 -39.5 22.9 9.4 -5.6 20 21 A S H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.770 92.4 69.7 -64.4 -24.5 22.6 9.4 -9.4 21 22 A E T << S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.714 86.0 67.8 -66.7 -18.8 25.9 7.4 -9.6 22 23 A L T < S+ 0 0 43 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.3 0.675 84.9 84.0 -70.3 -18.2 24.1 4.4 -8.1 23 24 A I < - 0 0 1 -3,-1.6 2,-0.3 -4,-0.3 3,-0.1 -0.808 69.3-165.3 -95.4 120.2 22.1 4.1 -11.3 24 25 A K > - 0 0 116 -2,-0.6 3,-2.3 1,-0.1 37,-0.1 -0.701 31.1 -82.4-110.1 154.8 24.0 2.2 -14.0 25 26 A H T 3 S+ 0 0 92 -2,-0.3 38,-0.2 1,-0.3 -1,-0.1 -0.278 117.9 22.3 -49.1 131.7 23.6 1.8 -17.8 26 27 A G T 3 S+ 0 0 30 36,-3.3 -1,-0.3 1,-0.3 37,-0.2 0.191 90.5 143.3 93.3 -16.2 21.0 -0.9 -18.4 27 28 A D < - 0 0 20 -3,-2.3 37,-2.7 35,-0.2 2,-0.6 -0.210 49.9-133.1 -60.1 146.7 19.3 -0.6 -15.0 28 29 A V E -c 64 0A 11 99,-0.5 101,-2.2 35,-0.2 102,-1.9 -0.912 29.0-167.2 -97.4 123.3 15.5 -1.0 -14.6 29 30 A V E -cd 65 130A 2 35,-3.1 37,-2.9 -2,-0.6 2,-0.5 -0.967 11.7-162.2-122.4 120.4 14.4 2.0 -12.5 30 31 A G E -cd 66 131A 0 100,-2.7 102,-2.7 -2,-0.5 2,-0.3 -0.891 19.4-176.1-101.0 129.9 11.0 2.2 -10.9 31 32 A T E - d 0 132A 1 35,-2.5 121,-0.3 -2,-0.5 102,-0.2 -0.869 28.6-111.5-123.5 157.4 10.0 5.7 -9.8 32 33 A S + 0 0 2 100,-1.6 119,-0.1 -2,-0.3 6,-0.1 -0.328 61.3 112.0 -66.5 164.5 7.2 7.5 -8.0 33 34 A G + 0 0 0 6,-0.2 36,-2.7 4,-0.1 35,-1.2 0.045 26.1 170.9 128.4 126.7 5.1 9.9 -10.2 34 35 A F B > S-K 37 0B 1 3,-1.5 3,-2.1 34,-0.3 282,-0.2 -0.951 73.3 -3.8-161.3 135.7 1.5 9.9 -11.4 35 36 A T T 3 S- 0 0 22 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.846 129.0 -56.0 37.1 48.0 -0.4 12.7 -13.3 36 37 A G T 3 S+ 0 0 1 34,-0.9 191,-1.6 1,-0.2 2,-0.4 0.677 114.4 116.3 71.1 16.5 2.6 15.1 -12.9 37 38 A A B < S-K 34 0B 3 -3,-2.1 -3,-1.5 33,-0.4 -1,-0.2 -0.968 70.5 -1.6-126.4 129.0 2.7 14.7 -9.1 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.2 109,-0.2 0.644 78.6 143.5 80.5 16.0 5.2 13.2 -6.7 39 40 A Y - 0 0 0 94,-0.1 -1,-0.2 1,-0.1 -6,-0.2 -0.566 59.3 -96.4 -82.0 152.0 7.9 12.1 -9.2 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.393 43.7 176.5 -68.8 151.6 11.6 12.4 -8.2 41 42 A K > + 0 0 0 3,-0.1 4,-1.4 -2,-0.1 5,-0.1 0.738 62.2 44.1-127.1 -49.8 13.2 15.5 -9.6 42 43 A E H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 110.3 51.2 -81.3 -39.7 16.8 16.2 -8.6 43 44 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 110.5 49.8 -62.6 -44.3 18.3 12.7 -9.1 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.904 109.3 52.7 -62.4 -37.5 16.9 12.4 -12.6 45 46 A K H X S+ 0 0 76 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.923 113.1 43.6 -59.3 -45.6 18.3 15.9 -13.5 46 47 A A H X S+ 0 0 14 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.893 112.4 52.9 -67.7 -39.4 21.8 14.8 -12.3 47 48 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.923 106.6 53.5 -60.1 -45.5 21.5 11.4 -14.0 48 49 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 106.5 51.8 -58.2 -42.2 20.6 13.1 -17.3 49 50 A Q H X S+ 0 0 114 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.920 111.9 45.9 -60.9 -45.3 23.7 15.3 -17.1 50 51 A R H X S+ 0 0 73 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.852 110.8 54.1 -68.3 -35.2 26.0 12.3 -16.6 51 52 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.943 108.7 48.0 -61.2 -48.6 24.2 10.4 -19.4 52 53 A E H X S+ 0 0 65 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 110.7 51.9 -60.0 -42.3 24.8 13.2 -21.9 53 54 A A H X S+ 0 0 51 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.909 111.0 47.4 -61.2 -43.3 28.5 13.4 -20.8 54 55 A A H ><>S+ 0 0 10 -4,-2.2 5,-2.6 1,-0.2 3,-1.3 0.938 110.6 51.9 -61.1 -47.4 28.9 9.7 -21.4 55 56 A H H ><5S+ 0 0 54 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.885 102.7 58.9 -59.2 -41.0 27.2 9.8 -24.7 56 57 A D H 3<5S+ 0 0 138 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.728 107.4 48.0 -60.7 -22.8 29.5 12.6 -25.9 57 58 A R T <<5S- 0 0 220 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.209 124.6-102.8-101.9 13.9 32.4 10.3 -25.3 58 59 A G T < 5S+ 0 0 73 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.757 78.4 137.6 72.2 25.7 30.8 7.4 -27.1 59 60 A E < - 0 0 121 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.905 53.0-125.2-106.7 129.5 29.8 5.6 -23.9 60 61 A K + 0 0 167 -2,-0.5 -35,-0.2 -3,-0.1 2,-0.2 -0.439 35.4 163.7 -71.8 143.1 26.3 4.1 -23.7 61 62 A Y + 0 0 12 22,-0.2 2,-0.3 -2,-0.1 -6,-0.1 -0.629 15.2 134.5-163.7 95.5 24.1 5.1 -20.8 62 63 A Q - 0 0 49 -2,-0.2 -36,-3.3 23,-0.1 23,-0.3 -0.983 28.6-157.5-142.6 154.2 20.4 4.4 -20.8 63 64 A I E - e 0 85A 2 21,-2.4 23,-2.2 -2,-0.3 24,-1.1 -0.785 24.9-115.7-123.9 167.8 17.8 3.0 -18.4 64 65 A S E -ce 28 87A 4 -37,-2.7 -35,-3.1 -2,-0.3 2,-0.6 -0.943 35.2-155.5 -98.0 127.6 14.4 1.4 -18.4 65 66 A L E +ce 29 88A 0 22,-2.7 24,-2.0 -2,-0.5 2,-0.5 -0.930 15.8 178.0-115.0 111.5 12.0 3.8 -16.7 66 67 A I E +ce 30 89A 0 -37,-2.9 -35,-2.5 -2,-0.6 2,-0.2 -0.959 14.0 168.8-113.9 131.4 8.9 2.4 -15.1 67 68 A T - 0 0 0 22,-1.9 -35,-0.1 -2,-0.5 -34,-0.1 -0.508 49.1-105.0-125.3-172.8 6.6 4.8 -13.3 68 69 A G S S- 0 0 0 -35,-1.2 -34,-0.3 1,-0.3 2,-0.2 0.908 88.6 -63.2 -76.9 -66.6 3.2 5.1 -11.7 69 70 A A S S+ 0 0 2 -36,-2.7 22,-0.3 1,-0.4 -1,-0.3 -0.461 99.2 2.1-147.4-125.9 2.0 7.2 -14.7 70 71 A S - 0 0 3 -2,-0.2 -34,-0.9 22,-0.1 -33,-0.4 -0.254 56.3-179.1 -70.7 154.6 3.1 10.6 -16.1 71 72 A T - 0 0 1 -35,-0.2 156,-0.1 -36,-0.2 -1,-0.1 0.253 21.9-110.8-116.4-117.6 5.9 12.5 -14.5 72 73 A G >>> - 0 0 2 154,-0.1 5,-1.7 -37,-0.0 3,-1.4 -0.951 40.8 -62.9-169.6-172.6 7.3 15.9 -15.5 73 74 A P T 34>S+ 0 0 65 0, 0.0 5,-1.9 0, 0.0 6,-0.1 0.818 122.4 58.4 -59.9 -35.4 10.1 18.0 -17.1 74 75 A Q T 345S+ 0 0 25 3,-0.2 -33,-0.0 4,-0.1 5,-0.0 0.738 123.4 18.6 -68.0 -22.7 12.6 17.0 -14.3 75 76 A L T <>5S+ 0 0 2 -3,-1.4 4,-2.4 3,-0.1 5,-0.3 0.749 136.7 23.6-111.4 -80.0 12.2 13.3 -15.0 76 77 A D H X5S+ 0 0 0 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.914 127.8 49.9 -55.1 -44.8 10.7 12.3 -18.4 77 78 A G H >S+ 0 0 1 -4,-2.4 5,-2.9 2,-0.2 6,-0.2 0.894 113.3 48.6 -67.0 -37.1 16.0 12.0 -19.5 80 81 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.902 108.2 53.8 -68.7 -40.2 14.4 12.2 -22.9 81 82 A K H 3<5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.896 111.1 47.6 -57.7 -37.7 16.5 15.3 -23.7 82 83 A A T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.441 109.1-125.9 -81.4 -1.4 19.5 13.2 -22.8 83 84 A N T < 5 + 0 0 48 -3,-1.6 -3,-0.2 -4,-0.2 -22,-0.2 0.918 65.7 141.5 51.8 45.7 18.3 10.3 -25.0 84 85 A G < + 0 0 0 -5,-2.9 -21,-2.4 -6,-0.1 2,-0.5 0.252 35.4 80.1-104.5 12.4 18.7 8.3 -21.8 85 86 A V E +e 63 0A 1 -23,-0.3 -21,-0.2 -6,-0.2 3,-0.1 -0.952 40.3 176.0-128.4 115.2 15.8 5.9 -21.8 86 87 A Y E S+ 0 0 84 -23,-2.2 21,-2.5 -2,-0.5 2,-0.3 0.768 78.8 20.1 -86.8 -25.7 15.7 2.7 -23.8 87 88 A F E -ef 64 107A 14 -24,-1.1 -22,-2.7 19,-0.2 2,-0.4 -0.996 67.4-172.6-143.5 142.8 12.3 1.5 -22.5 88 89 A R E -ef 65 108A 0 19,-2.5 21,-1.5 -2,-0.3 -22,-0.2 -0.998 12.5-146.2-139.5 137.7 9.4 3.4 -20.9 89 90 A S E -e 66 0A 0 -24,-2.0 -22,-1.9 -2,-0.4 21,-0.1 -0.960 46.5 -14.0-160.3 151.0 6.2 2.2 -19.2 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.989 105.9 -4.5-110.2 -2.3 3.3 2.7 -18.6 91 92 A F + 0 0 33 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.939 51.2 177.5-162.6 128.5 2.2 6.3 -19.3 92 93 A N + 0 0 1 291,-1.2 -22,-0.1 -2,-0.3 -4,-0.0 -0.978 17.3 173.2-135.3 144.9 3.9 9.5 -20.4 93 94 A T + 0 0 37 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.299 46.5 117.5-127.5 5.4 2.8 13.0 -21.2 94 95 A D > - 0 0 26 1,-0.1 4,-2.5 -22,-0.1 5,-0.2 -0.583 60.0-141.5 -77.1 134.9 6.2 14.7 -21.7 95 96 A A H > S+ 0 0 54 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.851 98.9 48.4 -67.7 -35.5 6.6 16.1 -25.2 96 97 A T H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 113.4 47.3 -72.5 -40.8 10.3 15.2 -25.5 97 98 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 110.3 53.8 -63.6 -39.6 9.7 11.6 -24.3 98 99 A R H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.922 107.6 50.9 -60.9 -42.3 6.8 11.3 -26.7 99 100 A N H X S+ 0 0 104 -4,-2.1 4,-1.2 2,-0.2 6,-0.2 0.907 109.3 49.9 -62.1 -40.7 9.1 12.4 -29.5 100 101 A R H <>S+ 0 0 52 -4,-2.1 5,-2.3 2,-0.2 6,-1.4 0.911 112.3 48.7 -62.9 -40.7 11.6 9.7 -28.5 101 102 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.4 4,-0.2 -2,-0.2 0.945 111.9 47.5 -63.5 -46.7 8.9 7.1 -28.4 102 103 A N H 3<5S+ 0 0 19 -4,-2.8 891,-1.4 1,-0.3 -1,-0.2 0.664 110.6 52.2 -75.3 -12.9 7.5 8.1 -31.8 103 104 A A T 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.461 115.5-115.1 -93.2 -5.3 10.9 8.1 -33.4 104 105 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.609 86.3 117.5 80.1 13.0 11.6 4.6 -32.1 105 106 A E S > - 0 0 0 1,-0.1 3,-1.8 828,-0.1 4,-0.8 -0.414 43.9-126.4 -51.4 130.7 -3.3 -0.7 -18.0 113 114 A L G >4 S+ 0 0 4 273,-1.9 3,-0.9 1,-0.3 4,-0.5 0.866 106.5 53.4 -56.5 -40.8 -2.4 1.3 -15.0 114 115 A G G 34 S+ 0 0 4 1,-0.2 4,-0.3 232,-0.2 -1,-0.3 0.641 109.9 50.5 -69.5 -12.6 -4.0 -1.0 -12.4 115 116 A Q G <> S+ 0 0 15 -3,-1.8 4,-2.4 2,-0.1 5,-0.2 0.552 83.7 88.7-100.1 -13.4 -2.0 -3.9 -13.9 116 117 A V H S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.939 112.0 48.8 -60.6 -45.5 2.3 -3.5 -10.3 118 119 A G H > S+ 0 0 1 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.896 112.6 47.0 -61.0 -43.0 1.2 -7.1 -11.0 119 120 A R H X>S+ 0 0 23 -4,-2.4 5,-2.4 2,-0.2 4,-0.7 0.858 110.3 53.7 -69.6 -33.7 3.2 -7.3 -14.2 120 121 A A H ><5S+ 0 0 3 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.940 110.0 47.0 -63.1 -46.1 6.2 -5.8 -12.5 121 122 A V H 3<5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.1 57.3 -65.3 -34.2 6.0 -8.5 -9.8 122 123 A Q H 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.677 120.1-112.8 -68.0 -16.7 5.6 -11.2 -12.4 123 124 A G T X<5S+ 0 0 38 -3,-1.0 3,-1.8 -4,-0.7 -3,-0.2 0.538 71.9 139.3 97.5 12.1 8.9 -10.0 -13.9 124 125 A N T 3 - 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0 0 32 205,-2.6 207,-0.3 -2,-0.2 -2,-0.0 -0.956 45.5 -75.4-151.0 170.7 -49.6 -27.2 -19.0 529 16 B P > - 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.326 39.2-117.7 -70.4 155.1 -48.8 -27.9 -22.6 530 17 B A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 114.0 56.5 -56.6 -38.5 -46.0 -26.1 -24.4 531 18 B E H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.940 109.3 44.9 -60.2 -48.3 -48.4 -24.5 -26.8 532 19 B T H >4 S+ 0 0 68 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.921 113.0 51.2 -61.6 -44.5 -50.4 -22.9 -24.0 533 20 B A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 4,-0.3 0.908 104.4 57.5 -60.2 -40.3 -47.3 -21.8 -22.2 534 21 B S H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.791 93.3 69.0 -62.4 -24.9 -46.0 -20.2 -25.4 535 22 B E T << S+ 0 0 93 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.689 85.7 68.7 -70.4 -14.1 -49.1 -18.1 -25.5 536 23 B L T < S+ 0 0 40 -3,-1.9 2,-0.5 -4,-0.4 -1,-0.3 0.698 85.1 83.5 -70.5 -19.8 -47.8 -16.2 -22.5 537 24 B I < - 0 0 0 -3,-1.7 2,-0.3 -4,-0.3 3,-0.1 -0.769 68.8-165.6 -93.7 122.1 -45.1 -14.8 -24.7 538 25 B K > - 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0 0 8 -4,-2.8 8,-0.1 -5,-0.2 3,-0.0 -0.285 68.3-121.0 -68.1 148.4 4.3 5.1 -41.4 991 478 B F S S+ 0 0 81 6,-0.4 2,-0.3 -614,-0.2 -1,-0.1 0.931 102.3 15.0 -49.2 -52.9 2.8 8.4 -40.0 992 479 B G - 0 0 5 3,-0.2 5,-0.4 5,-0.1 -612,-0.1 -0.891 68.4-144.3-120.1 159.4 4.3 7.4 -36.7 993 480 B K S S+ 0 0 55 -891,-1.4 -613,-0.1 -2,-0.3 -890,-0.1 0.423 84.2 82.2-102.8 0.8 6.9 4.8 -35.8 994 481 B H S S+ 0 0 9 -615,-0.9 -34,-0.4 1,-0.3 -614,-0.2 0.905 117.3 7.2 -71.7 -41.0 5.5 3.6 -32.5 995 482 B T S S- 0 0 2 -616,-1.8 -1,-0.3 -36,-0.1 -3,-0.2 -0.658 94.0-148.9-136.8 78.7 3.0 1.3 -34.1 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.213 25.7 162.7 -61.2 132.0 3.9 1.4 -37.8 997 484 B H - 0 0 12 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.984 38.3-142.7-141.6 156.1 1.2 0.9 -40.4 998 485 B L >> - 0 0 19 -2,-0.3 4,-1.8 -8,-0.1 3,-1.7 -0.947 19.5-163.8-112.1 101.2 0.6 1.6 -44.1 999 486 B L T 34 S+ 0 0 15 -2,-0.6 4,-0.4 1,-0.3 -510,-0.2 0.803 83.6 62.5 -64.5 -26.5 -3.0 2.6 -44.0 1000 487 B T T 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 -510,-0.1 0.724 121.3 21.0 -68.8 -21.2 -3.4 2.1 -47.8 1001 488 B E T X4 S+ 0 0 47 -3,-1.7 3,-1.8 2,-0.1 4,-0.4 0.479 90.2 103.8-127.4 1.6 -2.7 -1.6 -47.4 1002 489 B A T 3< S+ 0 0 0 -4,-1.8 -71,-0.7 1,-0.3 3,-0.3 0.861 99.1 27.5 -51.1 -44.0 -3.4 -2.5 -43.8 1003 490 B L T 3> S+ 0 0 7 -4,-0.4 4,-2.0 -518,-0.2 -1,-0.3 0.227 93.8 105.1-102.7 14.3 -6.7 -4.1 -44.6 1004 491 B S H <> S+ 0 0 32 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.730 71.8 58.6 -72.7 -24.1 -5.7 -5.2 -48.1 1005 492 B W H > S+ 0 0 6 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.902 108.3 47.7 -70.2 -39.9 -5.2 -8.9 -47.4 1006 493 B H H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.939 112.4 47.8 -62.3 -47.8 -8.8 -9.0 -46.3 1007 494 B Q H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.886 108.6 55.9 -62.5 -35.0 -10.0 -7.2 -49.4 1008 495 B R H X S+ 0 0 66 -4,-2.1 4,-2.5 2,-0.2 6,-0.6 0.910 107.4 48.7 -63.4 -40.2 -7.8 -9.6 -51.4 1009 496 B F H X S+ 0 0 31 -4,-2.0 4,-2.5 4,-0.2 -2,-0.2 0.935 111.8 49.0 -62.5 -45.5 -9.6 -12.5 -49.9 1010 497 B I H < S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.3 40.4 -57.2 -45.3 -13.0 -10.9 -50.6 1011 498 B D H < S+ 0 0 113 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.811 135.4 12.8 -74.8 -34.2 -12.0 -10.2 -54.2 1012 499 B T H < S- 0 0 82 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.488 95.4-112.2-128.6 -10.8 -10.1 -13.4 -55.1 1013 500 B G S < S+ 0 0 33 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.514 90.5 70.2 84.8 4.9 -10.8 -16.0 -52.4 1014 501 B T - 0 0 31 -6,-0.6 -2,-0.2 2,-0.1 -89,-0.2 -0.997 67.6-143.0-150.7 151.8 -7.3 -16.0 -51.1 1015 502 B M S S+ 0 0 0 -91,-2.4 -90,-0.1 -2,-0.3 -6,-0.1 0.553 79.3 97.8 -87.0 -9.0 -4.9 -13.8 -49.2 1016 503 B L S S- 0 0 58 -92,-0.2 -2,-0.1 1,-0.1 -41,-0.1 -0.680 82.4-116.0 -81.2 128.2 -2.0 -15.0 -51.4 1017 504 B P 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.154 360.0 360.0 -55.4 156.7 -1.1 -12.7 -54.3 1018 505 B S 0 0 169 -4,-0.1 -6,-0.0 0, 0.0 0, 0.0 -0.265 360.0 360.0 -62.3 360.0 -1.7 -14.1 -57.8