==== 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 OXIDOREDUCTASE 20-OCT-09 3KB6 . COMPND 2 MOLECULE: D-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.V.ANTONYUK,R.W.STRANGE,M.J.ELLIS,Y.BESSHO,S.KURAMITSU,S.YO . 1335 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1014 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 215 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 96 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 194 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.7 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 2 7 12 10 1 8 4 0 4 0 0 0 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 13 15 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 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 N 0 0 53 0, 0.0 42,-2.6 0, 0.0 43,-1.5 0.000 360.0 360.0 360.0 113.8 -26.7 -20.9 2.7 2 3 A V E -ab 24 44A 11 21,-3.2 23,-2.4 40,-0.2 2,-0.4 -0.886 360.0-163.7-114.3 134.6 -25.1 -19.5 5.7 3 4 A L E -ab 25 45A 4 41,-3.1 43,-2.8 -2,-0.4 2,-0.5 -0.979 2.9-170.7-119.9 126.7 -22.0 -17.2 5.7 4 5 A F E -ab 26 46A 0 21,-2.7 23,-2.3 -2,-0.4 2,-0.3 -0.954 10.2-174.8-113.1 131.3 -19.8 -16.5 8.8 5 6 A T + 0 0 0 41,-2.7 25,-0.2 -2,-0.5 23,-0.2 -0.823 59.5 21.4-120.8 164.6 -17.1 -13.9 8.6 6 7 A S S S+ 0 0 24 23,-3.0 22,-0.3 -2,-0.3 -1,-0.2 0.799 78.3 161.3 50.9 38.7 -14.3 -12.7 11.0 7 8 A V - 0 0 1 20,-2.3 -1,-0.2 22,-0.3 5,-0.1 -0.770 41.8-120.1 -89.1 121.4 -14.4 -16.0 12.8 8 9 A P >> - 0 0 59 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.220 28.7-111.4 -56.5 150.6 -11.3 -16.8 14.9 9 10 A Q T >4 S+ 0 0 124 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.843 114.8 54.9 -53.8 -40.0 -9.5 -20.0 13.8 10 11 A E T 3> S+ 0 0 115 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.663 104.1 54.8 -75.2 -20.4 -10.4 -22.0 16.9 11 12 A D H <> S+ 0 0 21 -3,-1.5 4,-2.3 2,-0.1 -1,-0.3 0.642 88.1 83.8 -79.6 -18.1 -14.1 -21.2 16.4 12 13 A V H S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.873 112.2 57.0 -63.2 -39.9 -14.4 -26.3 13.9 14 15 A F H X S+ 0 0 67 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.890 110.0 44.5 -54.2 -43.2 -17.0 -25.5 16.6 15 16 A Y H X S+ 0 0 0 -4,-2.3 4,-1.7 -3,-0.2 -1,-0.2 0.844 110.5 54.3 -75.3 -31.8 -19.3 -23.8 14.1 16 17 A Q H < S+ 0 0 108 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.937 115.5 39.8 -62.6 -47.2 -18.9 -26.6 11.5 17 18 A E H >< S+ 0 0 136 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.918 116.4 48.9 -68.6 -45.2 -20.0 -29.2 14.1 18 19 A A H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 122.4 34.2 -66.9 -28.3 -22.7 -27.1 15.6 19 20 A L T >< S+ 0 0 4 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.3 -0.198 75.1 135.3-119.2 39.4 -24.2 -26.2 12.2 20 21 A K T < + 0 0 142 -3,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.806 66.3 60.6 -64.7 -31.8 -23.5 -29.5 10.3 21 22 A D T 3 S+ 0 0 129 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.712 97.5 76.7 -65.0 -23.9 -27.0 -29.7 8.7 22 23 A L S < S- 0 0 45 -3,-1.4 2,-0.9 -6,-0.1 -3,-0.1 -0.443 89.7-110.2 -94.7 162.7 -26.6 -26.3 7.0 23 24 A S - 0 0 71 -2,-0.1 -21,-3.2 2,-0.0 2,-0.5 -0.823 53.4-178.6 -87.9 104.4 -24.7 -25.2 3.9 24 25 A L E -a 2 0A 40 -2,-0.9 2,-0.5 -23,-0.2 -21,-0.2 -0.926 26.0-173.6-123.6 123.9 -22.0 -23.2 5.7 25 26 A K E -a 3 0A 105 -23,-2.4 -21,-2.7 -2,-0.5 2,-0.4 -0.972 15.5-165.1-110.1 128.9 -19.1 -21.1 4.5 26 27 A I E -a 4 0A 33 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.946 6.6-172.6-117.9 133.6 -16.7 -19.7 7.2 27 28 A Y - 0 0 43 -23,-2.3 -20,-2.3 -2,-0.4 4,-0.1 -0.993 20.9-163.4-123.4 131.5 -14.1 -17.0 6.8 28 29 A T S S+ 0 0 80 -2,-0.4 -1,-0.1 -22,-0.3 -23,-0.1 0.735 81.6 77.5 -75.0 -25.2 -11.5 -16.0 9.4 29 30 A T S S- 0 0 42 -23,-0.1 -23,-3.0 1,-0.1 -22,-0.3 -0.282 95.4 -91.6 -78.9 167.4 -11.2 -12.9 7.2 30 31 A D > - 0 0 31 -25,-0.2 3,-2.0 -24,-0.1 4,-0.1 -0.318 37.8-101.0 -80.8 165.7 -13.7 -9.9 7.2 31 32 A V G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.724 115.5 67.0 -62.2 -27.1 -16.6 -9.6 4.9 32 33 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.0 19,-0.0 0.627 101.8 50.0 -70.2 -12.5 -14.9 -7.1 2.5 33 34 A K G < S+ 0 0 105 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.303 84.5 108.5-106.1 6.0 -12.5 -9.9 1.5 34 35 A V S < S- 0 0 9 -3,-1.3 5,-0.1 -4,-0.1 2,-0.0 -0.700 79.3-108.1 -82.8 133.9 -15.3 -12.5 0.7 35 36 A P >> - 0 0 54 0, 0.0 3,-1.9 0, 0.0 4,-1.8 -0.352 22.3-119.8 -66.1 143.7 -15.7 -13.2 -3.0 36 37 A E H 3> S+ 0 0 105 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.779 110.9 63.5 -53.5 -32.0 -18.8 -11.7 -4.7 37 38 A N H 3> S+ 0 0 99 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.806 108.0 42.9 -68.1 -25.7 -20.0 -15.2 -5.7 38 39 A E H <> S+ 0 0 29 -3,-1.9 4,-1.4 2,-0.2 3,-0.3 0.841 111.7 53.5 -82.8 -36.7 -20.3 -16.1 -2.0 39 40 A L H < S+ 0 0 6 -4,-1.8 3,-0.3 1,-0.2 24,-0.3 0.921 106.7 53.4 -59.4 -42.6 -21.9 -12.7 -1.1 40 41 A K H < S+ 0 0 120 -4,-2.6 23,-0.6 1,-0.2 -1,-0.2 0.785 111.2 46.0 -61.6 -34.3 -24.6 -13.3 -3.8 41 42 A K H < S+ 0 0 85 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.728 84.3 112.7 -81.4 -31.6 -25.5 -16.7 -2.4 42 43 A A < + 0 0 3 -4,-1.4 -40,-0.2 -3,-0.3 21,-0.2 -0.244 30.8 172.1 -55.9 123.6 -25.8 -15.9 1.4 43 44 A E S S+ 0 0 78 -42,-2.6 22,-3.0 1,-0.3 23,-1.4 0.700 79.6 25.2 -95.5 -31.4 -29.2 -16.0 3.0 44 45 A L E S-bc 2 66A 3 -43,-1.5 -41,-3.1 21,-0.2 2,-0.4 -0.986 70.7-169.8-132.8 123.6 -27.8 -15.5 6.6 45 46 A I E -bc 3 67A 0 21,-1.8 23,-2.7 -2,-0.4 2,-0.5 -0.924 5.9-160.0-109.6 139.2 -24.5 -13.8 7.4 46 47 A S E +bc 4 68A 0 -43,-2.8 -41,-2.7 -2,-0.4 23,-0.2 -0.986 23.8 164.0-115.4 125.2 -22.9 -13.8 10.9 47 48 A V E - c 0 69A 0 21,-2.2 23,-2.6 -2,-0.5 2,-0.2 -0.671 28.0-134.9-125.6-178.3 -20.3 -11.1 11.5 48 49 A F > - 0 0 25 21,-0.2 3,-1.5 -2,-0.2 23,-0.1 -0.643 49.5 -74.7-129.3-168.6 -18.5 -9.3 14.3 49 50 A V T 3 S+ 0 0 20 1,-0.3 -43,-0.0 -2,-0.2 20,-0.0 0.543 122.7 57.1 -77.3 -10.5 -17.8 -5.6 14.9 50 51 A Y T 3 S+ 0 0 35 -44,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.404 80.9 96.5 -99.6 0.2 -15.1 -5.0 12.3 51 52 A D S < S- 0 0 0 -3,-1.5 2,-0.9 -46,-0.1 -4,-0.1 -0.821 70.7-147.1 -86.8 108.4 -17.3 -6.2 9.4 52 53 A K - 0 0 138 -2,-0.8 2,-1.6 1,-0.1 25,-0.2 -0.691 9.1-163.7 -82.7 104.0 -18.7 -2.9 7.9 53 54 A L B +f 77 0B 2 23,-2.2 25,-2.7 -2,-0.9 2,-0.1 -0.588 26.0 165.4 -90.9 74.4 -22.2 -3.7 6.6 54 55 A T > - 0 0 44 -2,-1.6 4,-3.3 23,-0.2 5,-0.3 -0.410 53.6-105.7 -79.9 160.5 -22.6 -0.6 4.5 55 56 A E H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 122.3 57.5 -51.9 -43.1 -25.2 -0.2 1.8 56 57 A E H > S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.944 112.8 38.5 -58.5 -48.0 -22.5 -0.7 -0.8 57 58 A L H >4 S+ 0 0 20 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.939 115.5 51.5 -69.2 -44.6 -21.6 -4.1 0.6 58 59 A L H >< S+ 0 0 3 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.788 98.4 66.8 -67.4 -26.4 -25.2 -5.1 1.4 59 60 A S H 3< S+ 0 0 66 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.787 93.7 60.3 -58.0 -28.3 -26.2 -4.3 -2.2 60 61 A K T << S+ 0 0 102 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.303 94.0 72.4 -81.7 9.4 -24.0 -7.2 -3.3 61 62 A X X + 0 0 5 -3,-1.7 3,-1.8 1,-0.1 -1,-0.2 -0.462 51.6 161.3-127.1 63.8 -26.2 -9.6 -1.2 62 63 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.677 77.3 48.4 -63.1 -22.0 -29.5 -10.0 -3.0 63 64 A R T 3 S+ 0 0 123 -23,-0.6 2,-0.2 -24,-0.3 -23,-0.1 0.493 80.4 128.4 -95.1 -1.8 -30.5 -13.2 -1.2 64 65 A L < + 0 0 10 -3,-1.8 -21,-0.2 -6,-0.2 -20,-0.2 -0.307 20.6 162.2 -59.1 121.1 -29.7 -11.9 2.4 65 66 A K + 0 0 134 -22,-3.0 23,-2.7 1,-0.3 2,-0.3 0.715 63.4 21.4-107.2 -31.7 -32.6 -12.3 4.9 66 67 A L E -cd 44 88A 0 -23,-1.4 -21,-1.8 21,-0.2 2,-0.5 -0.996 54.2-158.9-144.8 134.6 -30.9 -12.0 8.3 67 68 A I E -cd 45 89A 0 21,-2.7 23,-2.9 -2,-0.3 2,-0.5 -0.977 13.0-169.1-110.6 121.8 -27.7 -10.4 9.7 68 69 A H E -cd 46 90A 0 -23,-2.7 -21,-2.2 -2,-0.5 2,-0.4 -0.970 3.1-163.6-110.8 121.1 -26.5 -11.7 13.0 69 70 A T E -c 47 0A 0 21,-2.2 2,-1.9 -2,-0.5 -21,-0.2 -0.904 19.2-138.8-104.3 131.9 -23.7 -9.8 14.8 70 71 A R S S+ 0 0 9 -23,-2.6 2,-0.3 -2,-0.4 -21,-0.2 -0.399 77.2 71.3 -87.0 56.8 -21.9 -11.8 17.6 71 72 A S S S- 0 0 3 -2,-1.9 21,-2.7 1,-0.1 -2,-0.2 -0.972 85.0-115.9-160.2 167.0 -21.8 -8.6 19.7 72 73 A V S S+ 0 0 54 -2,-0.3 2,-0.1 19,-0.2 -1,-0.1 0.852 96.7 73.9 -78.7 -42.4 -23.8 -6.2 21.8 73 74 A G + 0 0 12 1,-0.1 19,-0.1 -3,-0.1 -2,-0.1 -0.402 46.5 170.9 -77.8 150.6 -23.0 -3.4 19.4 74 75 A F > + 0 0 65 129,-0.2 3,-1.8 -2,-0.1 5,-0.2 0.155 44.8 113.4-142.3 18.5 -24.5 -3.0 16.0 75 76 A D T 3 S+ 0 0 59 1,-0.3 -2,-0.0 3,-0.1 4,-0.0 0.607 70.4 70.1 -71.7 -10.0 -23.3 0.4 14.9 76 77 A H T 3 S+ 0 0 20 2,-0.1 -23,-2.2 -24,-0.1 2,-0.4 0.430 89.8 76.6 -82.9 -1.6 -21.2 -1.4 12.2 77 78 A I B < S-f 53 0B 11 -3,-1.8 2,-1.7 -25,-0.2 -23,-0.2 -0.934 83.1-127.0-116.4 134.0 -24.4 -2.2 10.3 78 79 A D > + 0 0 61 -25,-2.7 4,-1.9 -2,-0.4 3,-0.3 -0.573 33.4 176.9 -78.6 87.8 -26.5 0.1 8.2 79 80 A L H > S+ 0 0 33 -2,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.819 72.9 59.5 -63.0 -36.5 -29.8 -0.5 10.0 80 81 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 106.5 47.9 -62.8 -40.5 -31.8 2.0 7.9 81 82 A Y H > S+ 0 0 24 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.944 111.5 50.4 -61.4 -49.7 -30.9 0.1 4.7 82 83 A C H X>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 4,-0.6 0.891 110.0 50.5 -56.2 -43.9 -31.9 -3.2 6.3 83 84 A K H ><5S+ 0 0 131 -4,-2.7 3,-0.5 3,-0.2 -1,-0.2 0.884 112.8 46.1 -60.0 -43.9 -35.3 -1.7 7.5 84 85 A K H 3<5S+ 0 0 145 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.8 42.2 -73.1 -35.7 -36.0 -0.5 4.0 85 86 A K H 3<5S- 0 0 136 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.436 112.5-114.3 -87.2 3.7 -35.0 -3.8 2.3 86 87 A G T <<5 + 0 0 51 -4,-0.6 2,-0.5 -3,-0.5 -3,-0.2 0.794 61.6 153.4 64.6 29.8 -36.7 -6.0 4.9 87 88 A I < - 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0 0 6 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.540 53.0-116.9 -75.0 145.5 -18.0 5.9 46.0 165 166 A K E -h 142 0D 109 -24,-1.6 -22,-3.0 -2,-0.2 2,-0.6 -0.737 39.9-148.7 -69.2 124.7 -20.5 8.7 45.5 166 167 A V E -h 143 0D 1 -2,-0.5 17,-2.4 15,-0.3 2,-0.4 -0.905 19.2-175.8-113.6 115.9 -22.2 7.7 42.2 167 168 A L E -hj 144 183D 11 -24,-3.3 -22,-3.2 -2,-0.6 2,-0.4 -0.848 12.5-161.8-100.7 145.3 -23.7 10.1 39.7 168 169 A C E -hj 145 184D 0 15,-2.4 17,-2.5 -2,-0.4 2,-0.4 -0.955 14.8-164.9-130.2 146.0 -25.5 8.8 36.6 169 170 A Y E +h 146 0D 81 -24,-2.6 -22,-2.7 -2,-0.4 2,-0.3 -0.978 33.5 125.0-131.8 122.2 -26.5 10.1 33.2 170 171 A D - 0 0 28 -2,-0.4 -2,-0.1 15,-0.3 31,-0.0 -0.956 61.5-124.5-164.8 150.2 -29.0 8.3 31.1 171 172 A V S S+ 0 0 126 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.803 106.9 61.7 -69.6 -25.0 -32.3 8.9 29.3 172 173 A V S S- 0 0 96 -3,-0.1 2,-0.9 2,-0.0 -24,-0.2 -0.881 79.8-154.4-104.4 111.1 -33.7 6.0 31.3 173 174 A K - 0 0 101 -2,-0.6 2,-0.4 11,-0.0 -2,-0.0 -0.751 15.7-139.0 -94.7 107.7 -33.5 6.7 35.1 174 175 A R > - 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0 0 19 -17,-2.5 -15,-0.3 -2,-0.4 2,-0.1 -0.737 40.1 -75.7-141.4 173.7 -28.0 14.3 37.1 186 187 A S > - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.415 45.5-115.1 -67.7 158.1 -27.6 16.6 34.1 187 188 A L H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 117.7 52.6 -58.0 -47.6 -24.6 15.8 31.9 188 189 A D H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 109.9 47.7 -58.7 -41.5 -23.0 19.1 32.8 189 190 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.2 49.6 -66.2 -41.5 -23.4 18.4 36.5 190 191 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.945 112.1 48.7 -62.4 -43.6 -21.9 14.9 36.1 191 192 A L H < S+ 0 0 0 -4,-2.8 29,-0.6 1,-0.2 -1,-0.2 0.877 115.6 43.9 -64.1 -37.9 -18.9 16.3 34.1 192 193 A K H < S+ 0 0 111 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.812 120.1 37.1 -77.4 -31.7 -18.3 19.0 36.7 193 194 A E H < S+ 0 0 104 -4,-2.0 2,-0.2 -5,-0.2 -2,-0.2 0.588 91.9 100.2-101.9 -10.0 -18.6 16.9 39.9 194 195 A S < - 0 0 0 -4,-1.6 26,-0.5 -5,-0.2 -51,-0.2 -0.522 42.0-173.5 -87.2 144.6 -17.0 13.6 38.9 195 196 A D S S+ 0 0 17 -53,-2.7 29,-2.2 1,-0.3 2,-0.4 0.707 87.3 31.4 -95.7 -32.6 -13.5 12.5 39.8 196 197 A V E S-ik 143 224D 0 -54,-2.4 -52,-3.5 27,-0.2 2,-0.4 -0.998 74.2-170.1-124.0 124.6 -13.8 9.3 37.8 197 198 A I E -ik 144 225D 0 27,-3.0 29,-2.8 -2,-0.4 2,-0.4 -0.972 2.5-173.1-117.4 135.1 -16.0 9.3 34.6 198 199 A S E -ik 145 226D 0 -54,-2.5 -52,-2.7 -2,-0.4 2,-0.4 -0.988 14.3-141.5-132.5 131.8 -16.8 6.1 32.7 199 200 A L E +ik 146 227D 0 27,-2.1 29,-1.0 -2,-0.4 -52,-0.2 -0.785 29.3 157.4 -98.9 129.1 -18.6 5.8 29.3 200 201 A H + 0 0 24 -54,-3.1 -51,-0.4 -2,-0.4 -48,-0.3 -0.179 35.6 115.8-143.2 41.9 -21.1 3.0 28.6 201 202 A V - 0 0 23 29,-0.1 29,-0.1 -53,-0.1 32,-0.1 -0.817 65.0-110.1-107.5 153.5 -23.4 4.3 25.8 202 203 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 28,-0.1 -0.373 39.8 -97.1 -70.5 162.5 -23.7 2.8 22.3 203 204 A Y + 0 0 49 26,-0.1 2,-0.3 3,-0.1 -129,-0.2 -0.737 64.1 141.2 -80.1 121.8 -22.3 4.7 19.3 204 205 A T >> - 0 0 51 -2,-0.6 4,-1.3 1,-0.0 3,-0.6 -0.905 68.5 -89.8-144.9 176.6 -25.1 6.6 17.6 205 206 A K T 34 S+ 0 0 183 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.859 128.2 51.4 -60.0 -35.4 -25.6 10.0 16.0 206 207 A E T 34 S+ 0 0 142 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.756 114.2 40.5 -71.8 -28.9 -26.5 11.4 19.4 207 208 A T T X4 S+ 0 0 16 -3,-0.6 3,-2.1 -5,-0.1 4,-0.3 0.484 82.9 129.9 -99.2 -2.8 -23.4 10.0 21.2 208 209 A H T 3< S- 0 0 82 -4,-1.3 25,-0.2 1,-0.3 27,-0.1 -0.308 92.1 -19.1 -56.0 121.2 -21.0 10.9 18.3 209 210 A H T 3 S+ 0 0 47 23,-3.0 -1,-0.3 25,-0.1 24,-0.2 0.807 86.5 153.2 46.6 37.5 -18.1 12.8 19.8 210 211 A X < + 0 0 15 -3,-2.1 2,-1.1 23,-0.3 5,-0.2 0.867 64.7 63.0 -66.3 -32.6 -20.1 13.6 22.9 211 212 A I B S+n 234 0E 0 22,-2.4 24,-2.9 -4,-0.3 -1,-0.2 -0.812 84.0 143.9 -88.6 99.7 -16.9 13.8 24.9 212 213 A N > - 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