==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-01 1JDE . COMPND 2 MOLECULE: PYRUVATE, PHOSPHATE DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR D.YE,M.WEI,M.MCGUIRE,K.HUANG,G.KAPADIA,O.HERZBERG,B.M.MARTIN . 868 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 73 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 8 2 1 1 4 6 1 1 2 2 0 2 1 0 3 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 3 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 PARALLEL BRIDGES PER LADDER . 3 5 1 2 1 1 1 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 . 3 1 0 2 1 0 0 1 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 2 A A 0 0 79 0, 0.0 59,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0-167.4 14.3 36.9 -37.1 2 3 A K + 0 0 127 2,-0.2 3,-0.1 1,-0.1 43,-0.1 0.918 360.0 124.6 45.6 57.6 17.1 35.5 -34.9 3 4 A W S S+ 0 0 39 1,-0.4 42,-0.4 56,-0.2 2,-0.3 0.608 80.6 26.7-103.1 -33.0 16.2 31.9 -35.5 4 5 A V S S- 0 0 14 37,-0.2 -1,-0.4 41,-0.1 2,-0.3 -0.922 79.1-152.7-128.7 147.2 19.7 31.3 -36.7 5 6 A Y E -A 40 0A 41 35,-3.9 35,-3.3 -2,-0.3 2,-0.3 -0.858 14.1-121.0-126.9 159.3 22.8 33.2 -35.6 6 7 A K E -A 39 0A 49 3,-0.4 33,-0.2 -2,-0.3 3,-0.1 -0.775 21.8-127.0 -98.7 144.1 26.2 34.0 -37.1 7 8 A F S > S+ 0 0 0 31,-0.7 3,-1.0 -2,-0.3 -1,-0.2 0.967 117.0 38.8 -47.4 -63.3 29.4 32.9 -35.4 8 9 A E T 3 S+ 0 0 77 1,-0.3 -1,-0.3 30,-0.2 31,-0.1 0.639 112.2 60.6 -56.8 -27.8 30.7 36.5 -35.5 9 10 A E T 3 S+ 0 0 117 -3,-0.1 -3,-0.4 2,-0.1 -1,-0.3 -0.192 109.3 44.1 -97.8 34.6 27.1 37.8 -34.7 10 11 A G < - 0 0 17 -3,-1.0 2,-0.3 -5,-0.1 -3,-0.1 -0.551 65.4-148.4-149.9-154.5 27.0 35.9 -31.3 11 12 A N - 0 0 58 -2,-0.2 15,-0.3 1,-0.1 16,-0.2 -0.894 38.1 -96.0-172.5-173.3 29.0 35.1 -28.2 12 13 A A S > S+ 0 0 16 -2,-0.3 3,-1.2 14,-0.1 12,-0.2 0.704 115.8 68.1 -93.9 -31.2 29.5 32.4 -25.7 13 14 A S T 3 S+ 0 0 95 1,-0.3 2,-0.9 10,-0.2 3,-0.5 0.907 85.1 73.4 -54.3 -39.5 27.1 34.1 -23.2 14 15 A M T >> + 0 0 48 1,-0.2 4,-3.0 9,-0.1 3,-2.3 0.121 60.0 131.8 -65.9 22.7 24.3 33.3 -25.7 15 16 A R H <> + 0 0 81 -3,-1.2 4,-2.1 -2,-0.9 -1,-0.2 0.808 59.2 65.5 -43.6 -51.2 24.4 29.6 -24.7 16 17 A N H 34 S+ 0 0 108 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.794 123.7 21.9 -47.5 -26.6 20.6 29.2 -24.2 17 18 A L H <4 S+ 0 0 26 -3,-2.3 26,-2.4 26,-0.1 -2,-0.3 0.831 131.8 38.7-104.6 -53.5 20.6 29.8 -27.9 18 19 A L H <>S- 0 0 0 -4,-3.0 5,-2.2 1,-0.2 6,-0.3 0.036 93.7-140.0 -93.9 23.8 24.1 28.9 -29.2 19 20 A G T X5 - 0 0 0 -4,-2.1 4,-0.7 3,-0.3 76,-0.4 0.216 41.3 -70.2 48.0-170.1 24.9 25.8 -27.1 20 21 A G H >5S+ 0 0 1 74,-3.0 4,-0.8 75,-1.6 -1,-0.2 0.833 138.0 44.1 -80.4 -31.9 28.2 25.1 -25.7 21 22 A A H >>5S+ 0 0 13 73,-0.9 4,-2.1 74,-0.3 3,-0.7 0.986 113.9 41.3 -71.0 -76.0 29.3 24.5 -29.3 22 23 A G H 3>5S+ 0 0 0 71,-0.4 4,-0.9 1,-0.2 -3,-0.3 0.752 120.1 45.5 -50.2 -31.2 27.8 27.2 -31.3 23 24 A C H 3XX S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 3,-1.3 0.966 111.3 57.7 -63.4 -47.9 36.6 31.9 -30.8 29 30 A T H 3< S+ 0 0 23 -4,-2.5 -2,-0.3 1,-0.3 -1,-0.3 0.759 105.6 50.6 -53.5 -25.1 35.3 33.8 -33.8 30 31 A I H 3< S+ 0 0 89 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.742 111.6 46.5 -89.0 -17.7 35.3 36.9 -31.6 31 32 A L H << S- 0 0 58 -4,-1.3 -2,-0.2 -3,-1.3 -1,-0.2 0.613 123.6-105.8 -84.9 -24.6 38.8 36.3 -30.6 32 33 A G < + 0 0 52 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.759 52.2 177.8 93.9 98.9 39.9 35.6 -34.2 33 34 A M - 0 0 20 2,-0.2 2,-5.2 -4,-0.1 -1,-0.1 -0.938 46.5-100.5-142.3 156.9 40.5 31.9 -34.9 34 35 A P S S+ 0 0 33 0, 0.0 298,-2.2 0, 0.0 -5,-0.0 -0.149 78.0 128.7 -66.2 55.8 41.5 29.4 -37.5 35 36 A I - 0 0 14 -2,-5.2 2,-0.6 296,-0.3 -2,-0.2 -0.971 65.9-124.2-113.5 121.6 37.8 28.5 -37.8 36 37 A P - 0 0 18 0, 0.0 204,-0.2 0, 0.0 206,-0.0 -0.571 43.2-110.5 -66.4 116.5 36.3 28.6 -41.3 37 38 A Q + 0 0 50 -2,-0.6 203,-1.6 202,-0.1 2,-0.3 0.274 59.0 125.5 -41.7 166.8 33.3 31.0 -40.8 38 39 A G E - B 0 239A 0 201,-0.2 -31,-0.7 -3,-0.1 2,-0.3 -0.866 45.2 -85.8 176.1-137.1 29.7 29.8 -40.9 39 40 A F E -AB 6 238A 0 199,-4.0 199,-4.3 -2,-0.3 2,-0.5 -0.998 16.4-127.8-165.5 157.9 26.6 29.9 -38.8 40 41 A T E -AB 5 237A 0 -35,-3.3 -35,-3.9 -2,-0.3 2,-1.1 -0.963 15.1-139.1-118.3 133.3 24.6 28.4 -36.1 41 42 A V E - B 0 236A 0 195,-2.3 195,-0.7 -2,-0.5 -37,-0.2 -0.740 41.8-121.2 -88.5 92.3 21.0 27.3 -36.3 42 43 A T >> - 0 0 0 -2,-1.1 3,-0.7 193,-0.2 4,-0.6 0.218 4.1-120.5 -40.9 144.4 19.7 28.4 -32.8 43 44 A T H >> S+ 0 0 7 -26,-2.4 3,-2.2 1,-0.3 4,-2.1 0.861 107.9 58.6 -53.0 -53.4 18.1 26.4 -30.0 44 45 A E H 3> S+ 0 0 64 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.886 105.0 54.7 -47.0 -39.2 14.8 28.2 -29.8 45 46 A A H <> S+ 0 0 2 -3,-0.7 4,-1.0 -42,-0.4 -1,-0.3 0.717 104.1 54.5 -67.5 -26.2 14.3 27.2 -33.5 46 47 A C H S+ 0 0 8 -4,-1.0 5,-0.6 -3,-0.3 6,-0.5 0.941 115.3 32.6 -58.8 -41.0 10.6 22.6 -34.9 50 51 A Y H ><5S+ 0 0 50 -4,-1.2 2,-3.1 -3,-0.4 3,-1.0 0.874 103.8 71.8 -80.9 -42.1 8.7 20.5 -32.3 51 52 A N T 3<5S+ 0 0 125 -4,-3.7 -1,-0.2 1,-0.2 -3,-0.1 0.079 110.6 35.7 -67.8 39.6 6.4 23.3 -31.0 52 53 A S T 3 5S- 0 0 70 -2,-3.1 -1,-0.2 -3,-0.3 -2,-0.2 0.358 128.6 -63.6-162.3 -22.4 4.6 22.9 -34.4 53 54 A G T < 5S- 0 0 58 -3,-1.0 -3,-0.1 -4,-0.4 -4,-0.1 -0.152 76.4 -76.7 163.5 -65.2 4.4 19.4 -35.8 54 55 A K S > - 0 0 32 1,-0.1 4,-2.1 0, 0.0 3,-0.8 -0.883 32.1 -47.0-147.7 175.5 9.3 25.6 -42.0 58 59 A Q H >> S+ 0 0 138 -2,-0.3 4,-2.3 2,-0.2 3,-1.4 0.651 114.3 31.0 -7.8-124.3 9.5 29.2 -43.2 59 60 A E H 3> S+ 0 0 87 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.637 126.1 50.6 -20.8 -36.5 11.9 31.8 -41.4 60 61 A I H <> S+ 0 0 5 -3,-0.8 4,-4.4 2,-0.3 -1,-0.3 0.962 114.6 37.5 -71.3 -57.5 14.1 28.7 -40.6 61 62 A Q H X S+ 0 0 84 -4,-2.3 4,-4.2 1,-0.3 3,-0.7 0.876 113.0 40.4 -43.7 -61.0 14.4 30.9 -45.1 63 64 A Q H 3X>S+ 0 0 33 -4,-3.4 4,-3.3 2,-0.3 5,-0.6 0.859 107.9 59.9 -64.0 -38.4 17.3 31.7 -42.8 64 65 A I H 3<5S+ 0 0 0 -4,-4.4 4,-0.4 1,-0.2 -1,-0.3 0.777 122.2 29.7 -59.7 -21.0 19.2 28.4 -43.5 65 66 A F H S+ 0 0 22 -4,-0.3 4,-2.0 -3,-0.2 -2,-0.2 0.954 108.9 49.7 -62.8 -38.9 25.9 34.9 -46.8 71 72 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 3,-0.2 5,-0.5 0.944 108.0 52.3 -54.2 -78.7 28.4 32.0 -46.5 72 73 A E H < S+ 0 0 24 -4,-1.6 5,-0.2 2,-0.3 -1,-0.2 0.606 119.1 35.2 -18.5 -61.0 28.7 31.4 -50.4 73 74 A E H >< S+ 0 0 134 -4,-1.8 3,-5.7 2,-0.2 -1,-0.2 0.982 119.2 48.7 -63.5 -71.9 29.5 34.9 -51.2 74 75 A L H 3< S+ 0 0 86 -4,-2.0 -2,-0.3 1,-0.3 -3,-0.2 0.679 126.2 33.9 -34.4 -31.0 31.5 35.5 -48.0 75 76 A N T 3< S- 0 0 39 -4,-2.7 2,-0.9 -5,-0.2 -1,-0.3 0.172 98.5-142.9-108.6 -0.1 33.2 32.2 -49.2 76 77 A G < + 0 0 65 -3,-5.7 -3,-0.2 -5,-0.5 -4,-0.1 0.419 67.0 107.6 54.4 -13.1 33.0 32.8 -52.9 77 78 A K S S- 0 0 59 -2,-0.9 2,-0.5 -5,-0.2 9,-0.2 -0.424 73.2-113.9 -87.0 172.2 32.3 29.1 -53.5 78 79 A K > - 0 0 105 6,-1.1 3,-2.1 7,-0.3 2,-1.2 -0.935 25.3-113.9-115.7 127.4 28.7 27.9 -54.6 79 80 A F T 3 S- 0 0 22 -2,-0.5 8,-0.1 1,-0.3 3,-0.1 -0.290 96.6 -18.0 -58.8 92.3 26.6 25.7 -52.3 80 81 A G T 3 S+ 0 0 11 -2,-1.2 2,-0.7 6,-1.1 -1,-0.3 0.708 88.6 167.4 84.2 18.8 26.3 22.4 -54.1 81 82 A D < - 0 0 52 -3,-2.1 -1,-0.3 3,-0.2 -3,-0.2 -0.651 36.2-139.7 -71.3 113.4 27.3 23.9 -57.4 82 83 A T S S+ 0 0 56 -2,-0.7 35,-0.4 1,-0.2 -1,-0.1 0.416 94.2 45.5 -51.7 -14.0 28.1 20.9 -59.7 83 84 A E S S- 0 0 100 1,-0.2 38,-0.3 34,-0.1 -1,-0.2 0.920 133.1 -2.0 -96.8 -61.1 31.1 22.7 -61.1 84 85 A D S S- 0 0 60 -3,-0.2 -6,-1.1 36,-0.1 -3,-0.2 -0.870 93.4-162.0-139.5 82.1 33.2 24.3 -58.4 85 86 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 0.320 23.8-130.8 -66.9-171.4 31.3 23.5 -55.4 86 87 A L - 0 0 4 -8,-0.4 -6,-1.1 23,-0.4 2,-0.3 -0.926 23.9-165.8-142.0 116.8 30.9 24.5 -51.9 87 88 A L - 0 0 9 -2,-0.4 154,-0.9 -8,-0.1 2,-0.3 -0.685 6.2-171.5-100.6 161.1 31.0 21.8 -49.3 88 89 A V E -CD 108 240A 0 20,-1.1 20,-6.3 -2,-0.3 2,-0.3 -0.943 20.1-128.5-145.9 159.6 29.9 22.2 -45.6 89 90 A S E - D 0 239A 2 150,-3.0 150,-1.6 -2,-0.3 2,-0.4 -0.856 17.7-156.2-106.3 145.2 29.9 20.3 -42.4 90 91 A V E +CD 105 238A 0 15,-3.6 15,-3.7 -2,-0.3 2,-0.4 -0.894 24.2 161.6-132.2 102.8 26.7 19.9 -40.3 91 92 A R E -CD 104 237A 22 146,-1.3 146,-1.9 -2,-0.4 13,-0.3 -0.975 38.9-104.5-135.6 138.6 27.1 19.2 -36.6 92 93 A S E - D 0 236A 9 11,-3.6 144,-0.3 -2,-0.4 2,-0.2 -0.332 26.7-178.6 -62.2 121.1 25.1 19.3 -33.4 93 94 A G + 0 0 1 142,-0.7 -71,-0.4 -2,-0.2 143,-0.2 -0.426 15.2 167.0-113.5 49.5 25.7 22.2 -30.9 94 95 A A - 0 0 11 141,-0.3 -74,-3.0 -75,-0.2 -73,-0.9 0.083 48.6 -99.7 -62.9-178.3 23.4 21.7 -27.8 95 96 A R S S+ 0 0 106 138,-0.6 -75,-1.6 -76,-0.4 -74,-0.3 0.869 106.1 50.3 -59.1 -93.2 23.8 23.6 -24.6 96 97 A A S S- 0 0 30 -77,-0.1 -2,-0.2 -76,-0.1 -1,-0.1 -0.129 96.3-109.9 -51.7 124.7 25.6 21.1 -22.6 97 98 A S - 0 0 24 240,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.002 35.3-174.0 -41.8 149.2 28.7 19.4 -24.1 98 99 A M > - 0 0 8 -4,-0.1 3,-2.9 -3,-0.1 4,-0.3 -0.141 4.2-167.8-157.5 52.7 27.9 15.8 -24.9 99 100 A P T 3 S+ 0 0 15 0, 0.0 362,-0.1 0, 0.0 -2,-0.0 -0.198 78.6 21.7 -51.8 123.6 30.9 13.9 -26.2 100 101 A G T 3 S+ 0 0 16 358,-0.0 335,-0.1 357,-0.0 358,-0.1 0.065 113.7 71.1 108.7 -21.3 29.8 10.6 -27.6 101 102 A M S < S+ 0 0 17 -3,-2.9 2,-0.1 330,-0.1 121,-0.0 0.292 74.1 101.5-108.8 6.1 26.3 11.5 -28.3 102 103 A M - 0 0 49 -4,-0.3 2,-0.4 2,-0.0 -9,-0.1 -0.353 56.2-129.8 -93.5-172.9 26.3 14.0 -31.2 103 104 A D + 0 0 41 -2,-0.1 -11,-3.6 2,-0.0 2,-0.3 -0.996 26.3 162.9-130.4 129.0 25.6 14.3 -34.9 104 105 A T E -C 91 0A 22 -2,-0.4 2,-0.5 -13,-0.3 -13,-0.3 -0.846 19.9-158.9-145.3 100.1 28.0 15.9 -37.6 105 106 A I E -C 90 0A 0 -15,-3.7 -15,-3.6 -2,-0.3 3,-0.3 -0.730 22.6-145.1 -83.7 126.5 27.5 15.2 -41.2 106 107 A L E + 0 0 0 -2,-0.5 33,-0.1 -17,-0.2 -18,-0.1 -0.063 63.1 8.9 -80.1-175.7 30.8 15.9 -43.0 107 108 A N E S- 0 0 0 135,-0.2 3,-0.4 1,-0.1 -18,-0.2 0.487 84.0-178.1 11.9 59.4 31.6 17.3 -46.5 108 109 A L E +C 88 0A 0 -20,-6.3 -20,-1.1 -3,-0.3 -28,-0.2 -0.452 49.8 48.6 -87.5 158.5 28.0 18.3 -47.3 109 110 A G S S+ 0 0 0 1,-0.3 -23,-0.4 -22,-0.2 2,-0.3 0.724 83.0 132.7 91.7 17.5 26.5 19.8 -50.5 110 111 A L + 0 0 0 -3,-0.4 -1,-0.3 -22,-0.1 2,-0.3 -0.711 26.2 164.7-101.5 150.1 28.3 17.3 -52.7 111 112 A N > - 0 0 9 -2,-0.3 4,-3.2 -3,-0.1 5,-0.3 -0.939 53.1 -87.2-158.6 169.7 26.9 15.1 -55.6 112 113 A D H > S+ 0 0 56 -2,-0.3 4,-0.7 2,-0.2 5,-0.1 0.796 130.3 40.5 -57.6 -28.2 28.0 13.0 -58.6 113 114 A V H > S+ 0 0 79 2,-0.1 4,-2.4 1,-0.1 3,-0.3 0.974 120.9 40.7 -82.0 -59.8 28.1 16.1 -60.7 114 115 A A H 4 S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.541 108.9 60.6 -64.8 -15.3 29.7 18.4 -58.1 115 116 A V H >X S+ 0 0 0 -4,-3.2 4,-3.7 2,-0.2 3,-0.6 0.951 111.6 39.8 -70.1 -51.8 32.2 15.8 -56.8 116 117 A E H 3X S+ 0 0 83 -4,-0.7 4,-2.7 -3,-0.3 5,-0.3 0.905 112.4 55.7 -58.3 -48.3 33.6 15.6 -60.2 117 118 A G H 3X S+ 0 0 1 -4,-2.4 4,-1.0 -35,-0.4 -1,-0.3 0.756 114.6 40.1 -59.4 -26.0 33.3 19.3 -60.5 118 119 A F H <> S+ 0 0 11 -3,-0.6 4,-5.2 -4,-0.5 -2,-0.3 0.816 107.1 64.4 -86.4 -38.5 35.4 19.4 -57.3 119 120 A A H <>S+ 0 0 1 -4,-3.7 5,-2.9 1,-0.2 -2,-0.2 0.868 112.3 33.7 -46.1 -51.5 37.5 16.7 -58.7 120 121 A K H ><5S+ 0 0 135 -4,-2.7 3,-0.6 2,-0.2 -1,-0.2 0.770 121.6 47.6 -75.4 -40.9 38.6 19.1 -61.4 121 122 A K H 3<5S+ 0 0 105 -4,-1.0 -2,-0.2 -38,-0.3 -1,-0.2 0.832 115.6 46.6 -66.7 -39.4 38.5 22.3 -59.3 122 123 A T T 3<5S- 0 0 23 -4,-5.2 -1,-0.2 2,-0.0 -2,-0.2 0.295 101.1-133.7 -87.9 5.9 40.4 20.4 -56.6 123 124 A G T < 5S+ 0 0 70 -3,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.900 84.9 81.0 41.2 47.3 43.0 19.0 -59.0 124 125 A N >< - 0 0 53 -5,-2.9 4,-1.4 -6,-0.2 3,-0.5 -0.154 49.8-179.3 175.8 85.6 42.4 15.7 -57.2 125 126 A P H > S+ 0 0 53 0, 0.0 4,-0.8 0, 0.0 5,-0.3 0.676 89.1 64.8 -63.7 -18.6 39.6 13.3 -57.7 126 127 A R H > S+ 0 0 93 3,-0.2 4,-2.1 2,-0.1 5,-0.1 0.918 106.8 43.2 -71.4 -38.9 41.1 11.2 -54.9 127 128 A F H > S+ 0 0 1 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 1.000 117.3 37.9 -67.2 -78.7 40.4 13.9 -52.5 128 129 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.859 121.1 48.8 -48.7 -31.9 36.9 15.2 -53.3 129 130 A Y H X S+ 0 0 6 -4,-0.8 4,-3.1 -5,-0.4 5,-0.3 0.993 107.2 50.4 -72.5 -54.0 35.8 11.7 -54.0 130 131 A D H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.889 114.1 51.0 -45.4 -39.9 37.2 10.2 -50.8 131 132 A S H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -1,-0.3 0.894 109.4 49.0 -63.2 -41.5 35.3 13.1 -49.4 132 133 A Y H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.3 -2,-0.3 0.838 108.5 50.3 -70.5 -33.5 32.2 12.1 -51.3 133 134 A R H X S+ 0 0 18 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.882 112.4 53.3 -65.8 -33.9 32.4 8.5 -50.2 134 135 A R H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.3 0.971 107.2 46.2 -60.0 -64.4 32.7 10.1 -46.8 135 136 A F H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 5,-0.4 0.872 107.3 60.6 -50.4 -42.9 29.6 12.2 -47.1 136 137 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 5,-0.3 0.960 109.4 40.4 -49.3 -58.9 27.7 9.2 -48.4 137 138 A Q H X S+ 0 0 22 -4,-1.9 4,-3.0 -3,-0.2 -2,-0.2 0.976 119.9 46.2 -52.0 -62.9 28.3 7.0 -45.2 138 139 A M H X S+ 0 0 10 -4,-1.8 4,-3.9 2,-0.2 6,-0.2 0.910 107.7 49.1 -41.3 -80.4 27.7 10.1 -42.7 139 140 A Y H X S+ 0 0 10 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.826 120.8 40.5 -28.2 -53.8 24.5 11.8 -44.0 140 141 A S H < S+ 0 0 0 -4,-1.1 6,-0.3 -5,-0.4 -1,-0.3 0.945 114.3 51.0 -63.6 -59.8 22.8 8.5 -44.1 141 142 A D H >< S+ 0 0 56 -4,-3.0 3,-1.3 -5,-0.3 -2,-0.2 0.902 115.4 42.0 -48.8 -51.0 24.3 7.2 -40.9 142 143 A V H 3< S+ 0 0 26 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.995 118.6 42.4 -61.1 -60.6 23.3 10.2 -39.0 143 144 A V T 3< S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.308 117.6-127.5 -66.0 12.1 19.9 10.5 -40.5 144 145 A M < + 0 0 98 -3,-1.3 -3,-0.2 -6,-0.2 -2,-0.1 0.867 63.8 137.6 28.2 106.8 20.0 6.7 -40.0 145 146 A E S S+ 0 0 60 1,-0.4 -4,-0.2 45,-0.0 -1,-0.1 0.115 72.7 27.6-145.8 -7.1 19.2 5.1 -43.3 146 147 A V S S- 0 0 0 -6,-0.3 2,-0.6 -5,-0.1 -1,-0.4 -0.981 77.8-117.4-158.6 146.1 21.8 2.5 -43.0 147 148 A P > - 0 0 53 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.842 30.5-127.8 -87.4 127.8 23.7 0.6 -40.4 148 149 A K T 3> S+ 0 0 77 -2,-0.6 4,-2.9 1,-0.3 5,-0.3 0.810 101.3 88.4 -35.9 -39.7 27.3 1.5 -40.7 149 150 A S H 3> S+ 0 0 53 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.730 92.0 45.7 -26.3 -47.7 27.7 -2.3 -40.8 150 151 A H H <> S+ 0 0 46 -3,-2.5 4,-1.5 2,-0.2 5,-0.2 0.988 113.1 40.1 -60.5 -85.1 27.2 -1.8 -44.4 151 152 A F H >> S+ 0 0 2 -4,-0.3 4,-3.7 1,-0.2 3,-0.8 0.852 119.9 51.1 -33.0 -52.9 29.5 1.1 -45.5 152 153 A E H >X S+ 0 0 47 -4,-2.9 4,-2.0 1,-0.3 3,-0.6 0.978 108.0 51.4 -50.2 -65.3 32.0 -0.4 -43.1 153 154 A K H 3X S+ 0 0 117 -4,-3.3 4,-0.9 -5,-0.3 -1,-0.3 0.682 116.2 42.0 -49.3 -21.0 31.5 -3.9 -44.8 154 155 A I H X S+ 0 0 23 -4,-1.7 4,-2.6 -3,-0.4 2,-1.6 0.818 113.1 75.5 -80.9 -34.8 40.5 -2.8 -49.5 160 161 A E T 3< S+ 0 0 135 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 -0.303 108.6 26.4 -78.0 46.7 40.1 -6.2 -47.9 161 162 A E T 34 S+ 0 0 176 -2,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.043 116.7 58.8-176.2 -25.5 40.5 -8.1 -51.3 162 163 A K T <4 S- 0 0 104 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.818 104.5-119.7 -88.6 -34.4 42.6 -5.6 -53.3 163 164 A G < + 0 0 56 -4,-2.6 -4,-0.1 1,-0.3 -3,-0.1 -0.122 53.9 156.5 129.4 -42.7 45.4 -5.6 -51.0 164 165 A V - 0 0 37 -6,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.242 42.0-138.9 -21.1 116.1 45.5 -1.9 -50.0 165 166 A H S S- 0 0 173 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.960 77.8 -19.0 -48.5 -53.7 47.2 -1.5 -46.7 166 167 A F S > S- 0 0 66 1,-0.1 3,-2.7 -7,-0.0 4,-0.3 -0.974 74.6 -88.4-157.5 161.9 44.7 1.0 -45.7 167 168 A D G > S+ 0 0 15 -2,-0.3 3,-2.6 1,-0.3 -1,-0.1 0.832 112.2 74.9 -38.6 -46.7 42.0 3.4 -47.0 168 169 A T G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -4,-0.0 -4,-0.0 0.680 97.6 47.6 -47.3 -18.9 44.6 6.1 -47.3 169 170 A D G < S+ 0 0 68 -3,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.569 80.0 116.8-100.9 -8.5 46.0 4.4 -50.5 170 171 A L < - 0 0 4 -3,-2.6 2,-0.1 -4,-0.3 -40,-0.1 -0.451 61.2-129.9 -63.3 140.0 42.7 3.7 -52.3 171 172 A T > - 0 0 59 -2,-0.0 4,-4.2 4,-0.0 5,-0.2 -0.267 22.1 -94.8 -87.3 171.3 42.6 5.6 -55.7 172 173 A A H > S+ 0 0 28 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.632 126.4 45.0 -58.4 -26.3 40.2 7.9 -57.5 173 174 A D H > S+ 0 0 135 2,-0.1 4,-1.9 3,-0.1 -1,-0.2 0.903 116.5 42.0 -85.4 -55.6 38.9 5.0 -59.4 174 175 A D H > S+ 0 0 44 2,-0.2 4,-3.1 3,-0.2 -2,-0.2 0.943 117.9 47.9 -59.4 -46.3 38.6 2.6 -56.4 175 176 A L H >X S+ 0 0 6 -4,-4.2 4,-1.6 2,-0.3 3,-0.7 0.973 111.3 47.9 -52.1 -73.3 37.2 5.3 -54.2 176 177 A K H 3< S+ 0 0 87 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.730 112.7 52.3 -41.6 -30.0 34.6 6.6 -56.8 177 178 A E H >X S+ 0 0 68 -4,-1.9 4,-3.3 2,-0.2 3,-1.7 0.949 110.7 47.6 -69.7 -49.7 33.8 2.8 -57.1 178 179 A L H XX S+ 0 0 2 -4,-3.1 4,-2.0 -3,-0.7 3,-0.7 0.980 114.6 42.9 -50.9 -72.8 33.4 2.8 -53.2 179 180 A A H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.333 116.0 55.0 -60.7 11.3 31.2 5.9 -53.1 180 181 A E H <> S+ 0 0 70 -3,-1.7 4,-0.8 -5,-0.4 -1,-0.2 0.691 110.0 39.5-105.4 -47.9 29.5 4.3 -56.2 181 182 A K H S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 112.6 45.3 -66.4 -35.6 24.8 5.0 -53.1 184 185 A A H X S+ 0 0 31 -4,-0.8 4,-3.6 2,-0.3 5,-0.3 0.779 106.5 57.1 -78.9 -23.3 23.4 1.6 -53.8 185 186 A V H X S+ 0 0 2 -4,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.759 112.7 43.3 -73.2 -23.9 24.3 0.4 -50.3 186 187 A Y H X S+ 0 0 8 -4,-1.2 4,-0.6 2,-0.1 -2,-0.3 0.801 116.3 50.5 -83.1 -32.9 22.2 3.3 -49.3 187 188 A K H ><>S+ 0 0 115 -4,-1.9 3,-1.1 2,-0.2 5,-0.6 0.972 105.9 50.1 -65.7 -64.3 19.7 2.3 -52.0 188 189 A E H 3<5S+ 0 0 120 -4,-3.6 -1,-0.2 1,-0.3 -3,-0.2 0.899 113.3 47.0 -43.3 -51.8 19.3 -1.4 -51.2 189 190 A A H 3<5S+ 0 0 45 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.700 114.7 60.1 -70.4 -16.1 18.6 -0.6 -47.5 190 191 A M T <<5S- 0 0 54 -3,-1.1 -45,-0.0 -4,-0.6 -44,-0.0 -0.593 94.4-113.8-104.7 173.0 16.2 2.1 -48.7 191 192 A N T 5S- 0 0 151 -2,-0.2 -3,-0.1 1,-0.1 -4,-0.1 0.096 82.5 -64.3 -89.4 18.3 13.1 1.8 -50.9 192 193 A G S > S- 0 0 95 1,-0.2 4,-1.1 2,-0.1 3,-0.6 -0.759 75.9-144.1 -88.1 119.2 20.1 18.1 -54.1 199 200 A P H 3> S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 2,-1.2 0.881 105.3 59.9 -52.3 -28.4 22.1 20.2 -51.7 200 201 A K H 34 S+ 0 0 102 1,-0.2 -2,-0.1 3,-0.1 -3,-0.1 -0.200 111.9 45.6 -84.5 40.3 18.8 21.8 -50.6 201 202 A D H <4 S+ 0 0 80 -2,-1.2 4,-0.3 -3,-0.6 -1,-0.2 0.355 106.6 49.8-155.9 -27.7 18.1 18.2 -49.8 202 203 A Q H X S+ 0 0 1 -4,-1.1 4,-0.6 -3,-0.4 5,-0.2 0.917 114.9 49.0 -79.6 -53.7 21.1 16.9 -48.0 203 204 A L H >X S+ 0 0 2 -4,-1.4 4,-3.0 1,-0.3 3,-2.6 0.871 116.3 35.0 -43.8 -75.9 21.0 19.9 -45.7 204 205 A M H 3> S+ 0 0 19 1,-0.3 4,-1.9 -5,-0.3 5,-0.4 0.876 110.9 65.5 -56.2 -35.4 17.4 20.1 -44.6 205 206 A G H 34 S+ 0 0 17 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.645 116.8 28.1 -59.8 -16.3 17.4 16.4 -44.6 206 207 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.3 3,-1.6 0.968 115.1 43.4 -52.8 -42.2 19.3 19.9 -39.9 208 209 A K H 3< S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.3 5,-0.2 0.868 109.0 56.7 -66.0 -37.3 16.0 18.3 -39.4 209 210 A A H 34 S+ 0 0 7 -5,-0.4 -1,-0.3 3,-0.2 -2,-0.2 0.414 113.5 42.0 -74.9 2.1 17.7 15.1 -38.6 210 211 A V H XX S+ 0 0 1 -3,-1.6 2,-2.5 -4,-0.6 3,-1.6 0.667 114.4 47.5-102.3 -73.4 19.6 17.0 -35.9 211 212 A F T 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.286 124.7 37.1 -53.9 19.7 16.6 19.0 -34.7 212 213 A R T 34 S+ 0 0 99 -2,-2.5 -1,-0.3 -6,-0.2 3,-0.2 0.441 98.9 68.3-147.8 -19.1 14.7 15.6 -34.6 213 214 A S T X4 S+ 0 0 26 -3,-1.6 3,-1.5 -5,-0.2 6,-0.1 0.994 87.4 72.6 -67.5 -47.3 17.1 13.0 -33.5 214 215 A W T 3< S+ 0 0 19 -4,-0.9 -1,-0.2 1,-0.3 9,-0.1 0.565 89.3 59.3 -25.9 -56.1 17.2 14.5 -29.9 215 216 A D T 3 S+ 0 0 52 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.150 90.5 105.5 -69.9 13.4 13.8 13.4 -29.0 216 217 A N S <> S- 0 0 62 -3,-1.5 4,-2.4 1,-0.0 3,-0.4 -0.701 84.3 -92.4 -98.8 157.6 14.8 9.8 -29.7 217 218 A P H > S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.694 115.2 40.7 -26.8 -70.4 15.5 6.9 -27.3 218 219 A R H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 118.3 48.5 -59.2 -44.2 19.2 6.9 -26.6 219 220 A A H > S+ 0 0 16 -3,-0.4 4,-2.4 2,-0.2 5,-0.4 0.875 112.5 48.8 -61.8 -41.2 19.4 10.8 -26.3 220 221 A I H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.965 114.5 45.1 -61.1 -49.6 16.4 10.8 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