==== 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-APR-04 1T25 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.CAMERON,J.READ,R.TRANTER,V.J.WINTER,R.B.SESSIONS,R.L.BRADY . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 1 1 0 1 0 1 0 3 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 . 2 3 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 1 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 18 A A 0 0 141 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 63.6 46.1 43.8 19.4 2 19 A P - 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.785 360.0-122.1 -93.2 157.5 46.2 41.2 20.6 3 20 A K - 0 0 75 -2,-0.1 25,-0.1 1,-0.1 24,-0.1 -0.144 29.2-108.0 -53.3 146.0 45.1 38.9 17.8 4 21 A A - 0 0 20 23,-0.4 25,-2.2 69,-0.0 2,-0.5 -0.406 26.5-131.2 -64.8 152.4 42.0 36.8 18.4 5 22 A K E -a 29 0A 57 66,-0.3 68,-2.8 23,-0.2 69,-1.7 -0.973 21.8-167.7-108.3 122.3 42.6 33.0 18.9 6 23 A I E -ab 30 74A 2 23,-2.7 25,-2.2 -2,-0.5 2,-0.6 -0.947 3.1-161.0-117.3 114.8 40.3 30.8 16.7 7 24 A V E -ab 31 75A 1 67,-2.5 69,-2.4 -2,-0.5 2,-0.9 -0.892 5.1-156.4-103.7 119.0 40.2 27.1 17.5 8 25 A L E -ab 32 76A 0 23,-3.0 25,-2.6 -2,-0.6 2,-1.3 -0.838 6.3-158.6 -91.5 101.1 38.9 24.8 14.8 9 26 A V E S+ab 33 77A 2 67,-2.0 69,-2.1 -2,-0.9 70,-1.4 -0.754 77.5 34.7 -84.4 94.8 37.6 21.7 16.6 10 27 A G - 0 0 5 23,-2.4 24,-0.2 -2,-1.3 23,-0.1 0.170 66.6-157.9 118.4 117.8 37.8 19.3 13.6 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.156 52.6 111.0-117.9 37.5 40.5 19.6 10.9 12 29 A G S > S- 0 0 29 3,-0.0 4,-2.3 4,-0.0 5,-0.2 0.318 89.0 -47.2 -87.6-142.1 38.9 17.8 7.9 13 30 A M H > S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.925 139.2 40.0 -64.6 -50.2 37.6 19.3 4.7 14 31 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 114.1 55.6 -66.3 -42.3 35.7 22.2 6.1 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.891 105.9 51.8 -54.2 -45.2 38.4 22.9 8.7 16 33 A G H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.912 110.5 45.8 -61.0 -45.7 41.1 23.2 6.0 17 35 A V H X S+ 0 0 29 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.913 111.4 53.8 -64.6 -40.3 39.2 25.7 3.9 18 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 108.0 49.3 -58.6 -48.2 38.3 27.8 7.0 19 37 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.937 111.6 50.4 -56.9 -44.8 42.1 27.9 8.0 20 38 A T H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.916 112.1 45.6 -57.1 -46.1 42.9 29.1 4.4 21 39 A L H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.852 108.1 57.1 -72.0 -34.5 40.3 31.9 4.4 22 40 A I H <>S+ 0 0 1 -4,-2.3 5,-2.1 -5,-0.2 4,-0.5 0.924 109.4 45.5 -59.9 -45.8 41.2 33.1 7.9 23 41 A V H ><5S+ 0 0 0 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.914 110.5 54.0 -63.6 -43.8 44.8 33.7 6.7 24 42 A Q H 3<5S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.1 37.5 -56.5 -40.1 43.6 35.4 3.5 25 43 A K T 3<5S- 0 0 97 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.387 103.6-129.5 -93.0 1.0 41.5 37.8 5.6 26 44 A N T < 5 + 0 0 83 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.857 54.1 152.5 51.9 42.2 44.1 38.1 8.5 27 45 A L < - 0 0 21 -5,-2.1 -23,-0.4 1,-0.2 2,-0.3 0.755 55.4 -63.4 -77.6 -27.5 41.3 37.4 11.0 28 46 A G - 0 0 1 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.934 65.4 -48.2 162.9 175.1 43.4 35.8 13.8 29 47 A D E -a 5 0A 38 -25,-2.2 -23,-2.7 -2,-0.3 2,-0.4 -0.479 56.9-145.2 -68.7 145.7 45.7 33.0 15.0 30 49 A V E -ac 6 60A 1 29,-2.9 31,-2.5 -25,-0.2 2,-0.5 -0.946 17.7-167.3-123.1 136.6 44.4 29.5 14.2 31 50 A V E -ac 7 61A 11 -25,-2.2 -23,-3.0 -2,-0.4 2,-0.9 -0.986 10.3-156.3-117.8 121.7 44.5 26.1 15.8 32 51 A L E -ac 8 62A 0 29,-2.8 31,-1.8 -2,-0.5 2,-0.3 -0.872 21.4-174.9 -95.7 102.2 43.6 23.1 13.8 33 52 A F E +ac 9 63A 13 -25,-2.6 -23,-2.4 -2,-0.9 2,-0.3 -0.782 13.8 147.0 -98.1 140.9 42.5 20.5 16.4 34 53 A D - 0 0 26 29,-1.7 -2,-0.0 -2,-0.3 -25,-0.0 -0.975 52.4-122.7-162.3 163.9 41.6 16.9 15.6 35 54 A I S S+ 0 0 128 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.677 85.0 97.8 -84.2 -20.8 41.8 13.4 17.1 36 55 A V S S- 0 0 74 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.535 80.7-120.3 -70.1 126.7 43.7 12.1 14.0 37 56 A K S S- 0 0 151 -2,-0.3 2,-2.3 1,-0.2 -1,-0.1 -0.404 81.2 -6.4 -66.6 144.3 47.5 12.0 14.8 38 57 A N S >> S+ 0 0 128 1,-0.2 4,-1.7 -2,-0.1 3,-0.9 -0.190 105.5 94.7 74.3 -48.6 49.9 14.1 12.6 39 58 A M H 3> S+ 0 0 60 -2,-2.3 4,-2.4 1,-0.2 5,-0.3 0.864 82.5 49.2 -46.7 -52.0 47.4 15.3 10.0 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 109.1 54.7 -62.1 -31.9 46.5 18.7 11.5 41 60 A H H <> S+ 0 0 93 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.881 109.3 48.0 -65.0 -40.7 50.2 19.5 11.9 42 61 A G H X S+ 0 0 44 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.928 113.4 45.5 -65.4 -47.0 50.7 18.9 8.2 43 62 A K H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.885 112.6 52.6 -62.3 -40.0 47.7 21.0 7.1 44 63 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.919 108.9 49.0 -61.0 -45.4 48.8 23.8 9.5 45 64 A L H X S+ 0 0 104 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.957 112.5 47.1 -60.8 -52.9 52.3 23.9 8.1 46 65 A D H >< S+ 0 0 117 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.921 115.9 45.6 -51.8 -53.2 51.1 24.0 4.5 47 66 A T H >< S+ 0 0 14 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.871 101.9 65.6 -63.4 -36.6 48.7 26.8 5.3 48 67 A S H >< S+ 0 0 33 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.811 91.6 63.4 -57.2 -32.8 51.1 28.8 7.4 49 68 A H T XX S+ 0 0 106 -4,-1.1 3,-1.6 -3,-0.6 4,-0.6 0.741 86.2 73.8 -65.9 -22.6 53.3 29.5 4.3 50 69 A T H <> S+ 0 0 31 -3,-1.6 4,-2.2 -4,-0.4 -1,-0.3 0.611 73.0 83.2 -70.2 -13.4 50.4 31.5 2.6 51 70 A N H <>>S+ 0 0 25 -3,-1.5 5,-1.8 -4,-0.3 4,-0.9 0.844 90.1 53.4 -52.6 -35.3 51.0 34.4 5.1 52 71 A V H X45S+ 0 0 125 -3,-1.6 3,-1.1 -4,-0.2 -2,-0.2 0.989 111.3 41.2 -66.4 -57.7 53.7 35.5 2.6 53 72 A M H 3<5S+ 0 0 142 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.785 120.0 46.7 -58.3 -29.6 51.5 35.5 -0.5 54 73AA A H 3<5S- 0 0 27 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.537 102.4-126.3 -93.0 -9.1 48.6 37.1 1.5 55 73BA Y T <<5 + 0 0 229 -3,-1.1 2,-0.2 -4,-0.9 -3,-0.2 0.829 68.0 132.9 58.0 38.0 50.6 39.9 3.3 56 74 A S < - 0 0 21 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.568 54.3-150.6-108.2 175.1 49.2 38.5 6.6 57 75 A N + 0 0 117 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.464 42.2 136.1-146.5 65.4 50.6 37.6 10.0 58 76 A C - 0 0 2 -10,-0.1 -29,-0.1 -30,-0.1 -7,-0.1 -0.966 48.0-131.6-113.9 125.1 48.4 34.8 11.5 59 77 A K - 0 0 137 -2,-0.5 -29,-2.9 -8,-0.0 2,-0.4 -0.479 18.9-164.3 -69.3 145.3 49.9 31.8 13.3 60 78 A V E +c 30 0A 16 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.953 16.3 169.1-132.7 116.0 48.6 28.4 12.2 61 79 A S E -c 31 0A 56 -31,-2.5 -29,-2.8 -2,-0.4 2,-0.2 -0.923 26.8-130.2-131.4 150.4 49.3 25.4 14.4 62 80 A G E -c 32 0A 12 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.570 24.9-171.4 -93.2 162.0 48.1 21.8 14.7 63 81 A S E +c 33 0A 2 -31,-1.8 -29,-1.7 -2,-0.2 3,-0.0 -0.978 33.6 176.7-157.0 139.5 46.9 20.1 17.9 64 83 A N + 0 0 61 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.057 69.4 92.3-119.8 20.1 45.9 16.7 19.3 65 84 A T > - 0 0 82 1,-0.1 3,-1.9 0, 0.0 4,-0.1 -0.955 63.6-151.5-123.8 120.5 45.3 18.1 22.8 66 85 A Y G > S+ 0 0 42 -2,-0.5 3,-2.0 1,-0.3 4,-0.1 0.806 91.8 69.0 -56.4 -34.8 42.0 19.4 24.1 67 86 A D G > S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.643 75.5 83.7 -67.0 -8.0 43.5 21.9 26.6 68 87 A D G < S+ 0 0 69 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.577 72.5 79.8 -68.5 -3.1 44.7 24.0 23.6 69 88 A L G X + 0 0 5 -3,-2.0 3,-2.2 -4,-0.1 -1,-0.3 0.692 67.0 115.8 -69.4 -20.3 41.2 25.4 23.8 70 89 A A T < S+ 0 0 45 -3,-2.0 46,-0.2 1,-0.3 45,-0.1 -0.270 81.1 13.2 -54.1 130.1 42.4 27.6 26.7 71 90 A G T 3 S+ 0 0 56 44,-1.0 -66,-0.3 1,-0.2 -1,-0.3 0.510 87.9 158.3 83.4 3.1 42.3 31.3 25.7 72 91 A A < - 0 0 7 -3,-2.2 -1,-0.2 1,-0.1 -66,-0.2 -0.393 26.4-173.9 -64.2 138.3 40.0 30.7 22.7 73 92 A D S S+ 0 0 71 -68,-2.8 47,-2.4 1,-0.4 2,-0.4 0.763 78.9 20.3 -97.2 -36.5 38.0 33.7 21.5 74 93 A V E -bd 6 120A 0 -69,-1.7 -67,-2.5 45,-0.2 2,-0.4 -0.999 67.3-165.4-133.7 134.2 36.0 31.8 18.8 75 94 A V E -bd 7 121A 0 45,-2.5 47,-2.6 -2,-0.4 2,-0.5 -0.993 3.6-166.0-121.6 125.2 35.5 28.0 18.7 76 95 A I E -bd 8 122A 0 -69,-2.4 -67,-2.0 -2,-0.4 2,-0.8 -0.953 9.0-154.0-116.4 115.4 34.2 26.4 15.4 77 96 A V E +bd 9 123A 0 45,-3.0 47,-2.6 -2,-0.5 48,-1.5 -0.798 38.0 142.0-103.3 105.6 32.9 22.8 15.7 78 97 A T + 0 0 29 -69,-2.1 -68,-0.2 -2,-0.8 -1,-0.2 0.288 33.8 134.4-110.2 0.9 33.0 20.5 12.6 79 98 A A + 0 0 19 -70,-1.4 2,-0.3 46,-0.1 46,-0.1 -0.291 42.6 52.3 -57.5 134.1 34.0 17.4 14.5 80 99 A G S S- 0 0 40 45,-0.1 2,-0.3 24,-0.1 21,-0.1 -0.957 86.7 -42.5 144.5-158.0 32.0 14.2 13.6 81 100 A F - 0 0 114 -2,-0.3 45,-0.3 16,-0.2 3,-0.1 -0.773 24.2-158.3-107.9 153.1 31.0 12.1 10.6 82 101 A T S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.571 79.1 19.6-104.2 -15.1 29.7 13.1 7.1 83 102 A K S S- 0 0 121 13,-0.1 -1,-0.2 9,-0.1 6,-0.0 -0.980 77.7-111.5-151.3 158.8 28.0 9.9 6.2 84 103AA A > - 0 0 15 -2,-0.3 3,-1.6 4,-0.1 2,-0.1 -0.764 40.4-104.4 -95.4 136.3 26.6 6.8 7.9 85 103BA P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.403 105.5 21.1 -60.6 129.7 28.4 3.4 7.3 86 103CA G T 3 S+ 0 0 81 1,-0.4 2,-0.1 -2,-0.1 -2,-0.0 -0.064 93.3 119.6 102.7 -26.9 26.4 1.2 4.9 87 103DA K < - 0 0 96 -3,-1.6 -1,-0.4 1,-0.1 2,-0.2 -0.455 59.5-133.7 -74.5 139.9 24.4 4.0 3.3 88 103EA S > - 0 0 44 -2,-0.1 3,-0.9 -3,-0.1 -4,-0.1 -0.498 27.4-108.1 -82.3 163.2 24.8 4.5 -0.4 89 105AA D G > S+ 0 0 69 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.884 120.3 60.0 -57.7 -36.9 25.4 8.0 -1.7 90 105BA K G 3 S+ 0 0 138 1,-0.3 -1,-0.2 139,-0.1 139,-0.1 0.775 106.9 44.1 -63.4 -29.5 21.8 7.9 -3.1 91 106 A E G < S+ 0 0 96 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.137 80.3 145.0-104.0 19.4 20.3 7.4 0.4 92 107 A W < + 0 0 29 -3,-1.5 2,-0.4 -4,-0.1 -3,-0.1 -0.374 20.1 169.4 -60.3 125.4 22.5 10.0 2.1 93 108 A N > - 0 0 48 -2,-0.2 3,-1.2 1,-0.1 4,-0.2 -0.993 39.6-139.6-144.5 132.4 20.5 11.8 4.8 94 109 A R G > S+ 0 0 17 -2,-0.4 3,-1.8 1,-0.3 4,-0.1 0.814 101.0 67.5 -59.8 -30.1 21.6 14.2 7.6 95 110 A D G > S+ 0 0 47 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.829 88.9 64.5 -60.1 -31.5 19.3 12.4 10.1 96 111 A D G < S+ 0 0 58 -3,-1.2 4,-0.3 1,-0.3 -1,-0.3 0.620 89.6 68.4 -72.1 -7.0 21.4 9.3 9.9 97 112 A L G <> S+ 0 0 4 -3,-1.8 4,-1.5 -4,-0.2 -1,-0.3 0.430 74.8 92.1 -89.3 -1.2 24.3 11.2 11.5 98 113 A L H <> S+ 0 0 8 -3,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.904 86.8 41.0 -60.1 -48.9 22.4 11.5 14.8 99 114 A P H 4 S+ 0 0 89 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.773 114.5 54.8 -72.4 -23.0 23.8 8.4 16.6 100 115 A L H 4 S+ 0 0 40 -4,-0.3 -2,-0.2 1,-0.1 4,-0.2 0.823 116.1 32.1 -80.5 -32.6 27.3 9.0 15.3 101 116 A N H X S+ 0 0 0 -4,-1.5 4,-1.5 25,-0.2 3,-0.2 0.509 89.4 92.5-107.7 -8.9 27.8 12.6 16.5 102 117 A N H X S+ 0 0 45 -4,-1.1 4,-1.1 1,-0.2 3,-0.4 0.929 90.8 41.6 -53.6 -55.6 25.9 12.9 19.8 103 118 A K H > S+ 0 0 107 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.758 105.3 65.3 -68.5 -25.9 28.7 11.9 22.3 104 119 A I H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 102.2 49.0 -63.7 -43.6 31.3 14.0 20.5 105 120 A M H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.863 109.7 51.6 -62.3 -40.4 29.3 17.2 21.4 106 121 A I H X S+ 0 0 55 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.961 111.7 46.6 -61.2 -48.0 29.1 16.2 25.0 107 122 A E H X S+ 0 0 77 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.917 113.9 47.1 -60.0 -46.8 32.8 15.6 25.2 108 123 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 108.0 57.3 -65.3 -41.9 33.6 18.9 23.5 109 124 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 103.5 52.4 -55.1 -45.8 31.2 20.8 25.7 110 125 A G H X S+ 0 0 36 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.888 110.6 48.1 -57.0 -39.1 33.0 19.7 28.9 111 126 A H H X S+ 0 0 38 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.877 111.2 50.0 -70.5 -38.4 36.3 20.9 27.5 112 127 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 109.8 51.4 -62.9 -45.6 34.9 24.3 26.5 113 128 A K H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.903 117.7 38.6 -59.2 -40.4 33.3 24.8 29.9 114 129 A K H < S+ 0 0 137 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 129.0 28.3 -76.7 -44.0 36.6 24.1 31.6 115 130 A N H < S+ 0 0 28 -4,-3.1 -44,-1.0 1,-0.2 -3,-0.2 0.809 133.1 8.9 -94.8 -37.1 38.9 25.9 29.1 116 131 A C >< + 0 0 7 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.2 -0.357 58.8 158.6-147.0 63.8 37.1 28.8 27.4 117 132AA P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.708 79.0 55.6 -64.3 -19.1 33.7 29.5 28.9 118 132BA N T 3 S+ 0 0 131 -46,-0.1 -5,-0.1 -6,-0.1 2,-0.0 0.351 84.6 114.8 -96.4 9.5 33.7 33.1 27.5 119 133 A A < - 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0 0 50 -2,-0.3 4,-1.8 -3,-0.2 5,-0.1 -0.555 22.3-116.1 -97.6 165.4 8.4 32.4 -14.2 210 221 A D H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.870 118.4 52.3 -60.1 -38.8 6.7 30.7 -11.2 211 222 A A H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 106.4 52.0 -66.8 -39.0 7.6 27.3 -12.7 212 223 A E H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 110.2 50.5 -63.1 -40.3 11.2 28.3 -13.0 213 225 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.897 105.5 54.6 -66.7 -42.5 11.2 29.3 -9.3 214 226 A E H X S+ 0 0 138 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.916 109.3 48.5 -56.1 -41.8 9.7 26.0 -8.2 215 227 A A H X S+ 0 0 61 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.907 111.0 50.3 -67.3 -40.5 12.5 24.2 -10.0 216 228 A I H X S+ 0 0 22 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.898 108.5 53.2 -62.8 -39.5 15.1 26.4 -8.3 217 229 A F H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.948 110.2 46.7 -61.3 -47.9 13.5 25.8 -4.9 218 230 A D H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 111.6 51.8 -61.6 -41.3 13.8 22.0 -5.4 219 231 A R H < S+ 0 0 108 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.900 108.3 52.2 -61.6 -39.6 17.4 22.4 -6.5 220 232 A T H >< S+ 0 0 1 -4,-2.3 3,-1.2 2,-0.2 4,-0.3 0.948 109.9 46.7 -61.8 -52.0 18.2 24.4 -3.4 221 233 A V H 3< S+ 0 0 30 -4,-2.2 3,-0.4 1,-0.2 4,-0.2 0.911 119.2 41.7 -58.5 -41.5 16.8 21.8 -1.0 222 234 A N T 3X S+ 0 0 71 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.276 82.4 106.6 -91.1 12.2 18.6 19.0 -2.9 223 235 A T H <> S+ 0 0 3 -3,-1.2 4,-2.4 -4,-0.4 5,-0.2 0.890 78.7 49.2 -60.1 -44.1 22.0 20.7 -3.5 224 236 A A H > S+ 0 0 4 -3,-0.4 4,-3.3 -4,-0.3 -1,-0.2 0.948 114.2 47.7 -63.1 -43.0 24.1 18.8 -0.9 225 237 A L H > S+ 0 0 51 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.922 109.7 53.2 -60.9 -46.9 22.7 15.5 -2.3 226 238 A E H X S+ 0 0 75 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.891 115.6 39.7 -55.0 -44.0 23.4 16.7 -5.9 227 239 A I H >X S+ 0 0 51 -4,-2.4 4,-2.8 2,-0.2 3,-0.7 0.916 109.8 58.7 -75.9 -42.1 27.1 17.4 -5.0 228 240 A V H 3< S+ 0 0 10 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.6 47.5 -55.9 -33.3 27.5 14.3 -2.7 229 241 A N H 3< S+ 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.753 117.7 39.9 -82.3 -26.5 26.6 12.2 -5.7 230 242 A L H << S- 0 0 145 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.724 141.9 -25.6 -87.3 -29.4 29.0 14.0 -8.1 231 243 A H S < S- 0 0 122 -4,-2.8 2,-0.3 1,-0.1 -3,-0.2 0.304 100.1 -48.4-151.7 -78.3 31.9 14.5 -5.7 232 244 A A S S- 0 0 34 -5,-0.4 -2,-0.1 -8,-0.1 -1,-0.1 -0.984 71.5 -52.6-169.2 167.2 31.6 14.6 -1.9 233 245 A S S S- 0 0 42 -2,-0.3 -8,-0.1 -5,-0.2 -9,-0.1 -0.435 79.4-101.7 -53.0 119.1 29.8 16.1 1.2 234 246 A P + 0 0 17 0, 0.0 -220,-0.1 0, 0.0 -1,-0.1 -0.067 53.6 160.2 -49.1 147.8 30.2 19.9 0.2 235 247 A Y > + 0 0 55 -222,-0.1 4,-2.0 3,-0.1 5,-0.2 0.549 56.7 66.6-143.2 -31.4 33.0 21.9 2.0 236 248 A V H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.939 108.5 37.5 -68.9 -50.8 34.0 25.1 0.1 237 249 A A H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 115.0 55.0 -68.1 -43.2 30.6 27.1 0.5 238 250 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.955 109.5 48.6 -49.2 -48.8 30.0 25.8 4.0 239 251 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 111.2 48.8 -57.6 -49.0 33.5 27.1 5.0 240 252 A A H X S+ 0 0 48 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.903 110.7 51.1 -61.5 -39.6 32.9 30.5 3.4 241 253 A A H X S+ 0 0 6 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.924 110.1 49.4 -63.1 -44.6 29.5 30.8 5.1 242 254 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.912 110.4 50.4 -62.2 -44.2 31.0 30.0 8.6 243 255 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.873 105.8 55.3 -65.3 -33.2 33.8 32.6 8.0 244 256 A E H X S+ 0 0 35 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.925 111.2 46.3 -63.3 -41.1 31.3 35.3 7.1 245 257 A M H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.942 114.1 45.9 -62.4 -49.1 29.6 34.6 10.4 246 258 A A H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.878 111.3 53.8 -63.7 -38.5 32.8 34.6 12.5 247 259 A E H X S+ 0 0 23 -4,-2.7 4,-2.7 -5,-0.2 6,-0.3 0.882 104.0 54.2 -62.4 -43.8 34.0 37.8 10.8 248 260 A S H <>S+ 0 0 0 -4,-1.7 5,-1.6 -5,-0.2 6,-0.6 0.891 113.0 44.6 -58.2 -41.8 30.8 39.7 11.6 249 261 A Y H ><5S+ 0 0 37 -4,-1.6 3,-1.0 3,-0.2 -2,-0.2 0.964 115.4 46.0 -64.7 -54.1 31.4 38.8 15.3 250 262 A L H 3<5S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.839 121.7 35.2 -62.2 -38.3 35.2 39.6 15.3 251 263 A K T 3<5S- 0 0 110 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.287 104.7-121.7 -99.4 7.4 34.9 42.9 13.5 252 264 A D T < 5 + 0 0 69 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.893 55.6 154.1 50.8 47.9 31.5 44.1 15.0 253 265 A L < - 0 0 84 -5,-1.6 28,-0.2 -6,-0.3 -4,-0.1 0.727 41.6-145.0 -73.4 -27.2 29.9 44.4 11.6 254 266 A K + 0 0 94 26,-1.1 27,-0.2 -6,-0.6 2,-0.1 0.831 32.5 175.4 61.1 34.9 26.3 43.8 12.9 255 267 A K E - H 0 280A 60 25,-0.7 25,-2.1 -10,-0.1 2,-0.7 -0.425 35.4-122.0 -67.5 145.9 25.3 41.9 9.7 256 268 A V E + H 0 279A 86 23,-0.2 2,-0.3 -2,-0.1 23,-0.2 -0.845 45.7 166.4 -88.4 116.4 21.8 40.3 9.6 257 269 A L E - H 0 278A 12 21,-2.4 21,-1.9 -2,-0.7 2,-0.6 -0.996 38.5-119.3-138.3 136.5 22.6 36.6 8.9 258 270 A I E + H 0 277A 13 -2,-0.3 -106,-1.1 19,-0.2 -108,-0.4 -0.686 49.8 150.8 -84.2 118.9 20.2 33.6 9.2 259 271 A C E - H 0 276A 0 17,-2.0 17,-2.1 -2,-0.6 2,-0.5 -0.904 51.5 -91.0-141.1 165.3 21.5 31.1 11.8 260 272 A S E +FH 148 275A 2 -112,-2.3 -112,-1.8 -2,-0.3 2,-0.3 -0.714 56.5 159.4 -82.4 127.2 20.2 28.5 14.3 261 273 A T E - H 0 274A 4 13,-1.9 13,-1.9 -2,-0.5 2,-0.3 -0.939 47.5 -77.3-147.2 160.4 19.6 30.1 17.7 262 274 A L E - H 0 273A 26 -119,-0.4 2,-0.4 -116,-0.3 11,-0.2 -0.476 44.4-144.6 -68.4 122.6 17.6 29.5 20.9 263 275 A L E - H 0 272A 1 9,-2.9 8,-0.9 -2,-0.3 9,-0.6 -0.718 19.6-179.7 -91.5 134.7 13.9 30.4 20.4 264 276 A E E S- H 0 270A 108 -2,-0.4 6,-0.3 6,-0.2 -1,-0.1 -0.301 79.7 -39.1-128.2 49.6 12.1 31.9 23.4 265 277 A G S > S+ 0 0 39 4,-3.2 3,-1.9 1,-0.4 5,-0.2 0.139 94.2 136.5 116.2 -20.5 8.5 32.4 22.0 266 278 A Q G > S+ 0 0 32 3,-0.3 3,-2.3 1,-0.3 -1,-0.4 -0.374 83.4 6.2 -59.7 137.1 9.3 33.5 18.5 267 279 A Y G 3 S- 0 0 11 1,-0.3 -1,-0.3 24,-0.1 3,-0.1 0.627 132.9 -68.6 63.9 14.0 7.0 31.7 15.9 268 280 A G G < S+ 0 0 72 -3,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.448 107.4 123.2 83.3 2.9 5.2 30.3 19.0 269 281 A H < + 0 0 26 -3,-2.3 -4,-3.2 3,-0.0 -3,-0.3 -0.799 31.7 169.1-108.3 143.8 8.2 28.1 19.9 270 282 A S E + H 0 264A 55 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.902 57.1 31.0-138.0 162.8 10.3 27.8 23.0 271 283 A D E S+ 0 0 129 -8,-0.9 2,-0.3 -2,-0.3 -7,-0.1 0.744 101.1 82.1 63.5 30.8 13.1 25.5 24.5 272 285 A I E S- H 0 263A 0 -9,-0.6 -9,-2.9 -3,-0.1 2,-0.4 -0.967 74.8-117.0-156.2 157.1 14.5 24.6 21.1 273 286 A F E + H 0 262A 0 -144,-0.4 2,-0.3 -2,-0.3 -11,-0.2 -0.837 38.4 161.8-101.8 145.5 17.0 26.0 18.5 274 287 A G E - H 0 261A 0 -13,-1.9 -13,-1.9 -2,-0.4 2,-0.4 -0.988 41.5 -86.0-158.2 158.9 15.8 26.9 15.0 275 288 A G E +GH 179 260A 7 -96,-1.1 -96,-2.4 -2,-0.3 -15,-0.2 -0.555 57.3 136.3 -75.8 127.0 16.9 29.0 12.0 276 289 A T E - H 0 259A 0 -17,-2.1 -17,-2.0 -2,-0.4 -19,-0.1 -0.979 59.2 -79.3-158.0 155.8 16.0 32.7 11.9 277 290 A P E + H 0 258A 1 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.452 53.3 175.4 -60.1 134.5 17.7 36.0 11.0 278 291 A V E -IH 288 257A 0 -21,-1.9 -21,-2.4 10,-0.2 2,-0.5 -0.904 31.8-119.5-132.8 162.2 19.9 37.3 13.8 279 292 A V E -IH 287 256A 7 8,-2.3 7,-2.6 -2,-0.3 8,-0.8 -0.943 27.6-159.3-105.6 121.3 22.3 40.3 14.2 280 293 A L E +IH 285 255A 0 -25,-2.1 -26,-1.1 -2,-0.5 -25,-0.7 -0.899 30.8 125.8-106.7 120.5 25.9 39.2 14.9 281 294 A G E > S-I 284 0A 0 3,-2.2 3,-2.4 -2,-0.5 -32,-0.1 -0.726 73.2 -49.4-146.2-162.0 28.4 41.7 16.5 282 295 A A T 3 S+ 0 0 50 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.760 131.6 50.7 -49.1 -33.8 30.8 42.2 19.4 283 296 A N T 3 S- 0 0 109 1,-0.3 2,-0.4 -31,-0.0 -1,-0.3 0.134 110.9-123.4 -92.0 14.7 28.2 41.0 21.9 284 297 A G E < S+I 281 0A 0 -3,-2.4 -3,-2.2 -35,-0.1 2,-1.1 -0.651 86.2 16.6 85.0-133.1 27.4 37.9 20.0 285 298 A V E S+I 280 0A 15 -141,-2.3 -5,-0.2 -2,-0.4 3,-0.1 -0.725 72.6 173.2 -76.2 100.9 23.8 37.4 19.0 286 299 A E E + 0 0 54 -7,-2.6 2,-0.3 -2,-1.1 -1,-0.2 0.786 63.3 13.2 -85.3 -28.0 22.7 41.0 19.6 287 301 A Q E -I 279 0A 114 -8,-0.8 -8,-2.3 -3,-0.1 2,-0.5 -0.993 58.8-149.8-151.0 138.3 19.2 40.7 18.2 288 302 A V E -I 278 0A 49 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.971 24.0-149.9-106.7 118.5 16.9 37.8 17.2 289 303 A I - 0 0 54 -12,-2.5 2,-0.6 -2,-0.5 -2,-0.0 -0.812 3.1-154.0 -97.4 127.1 14.6 38.9 14.4 290 304 A E - 0 0 89 -2,-0.5 2,-0.2 -14,-0.1 -14,-0.0 -0.883 13.4-139.8 -99.5 114.0 11.1 37.3 14.2 291 305 A L - 0 0 17 -2,-0.6 2,-2.0 1,-0.1 -24,-0.1 -0.504 19.7-122.7 -70.1 140.7 9.7 37.3 10.6 292 306 A Q - 0 0 174 -2,-0.2 -1,-0.1 -25,-0.0 -2,-0.0 -0.512 44.8-172.9 -86.9 70.4 5.9 38.2 10.6 293 307 A L - 0 0 12 -2,-2.0 2,-0.1 1,-0.1 -26,-0.0 -0.270 19.6-124.4 -65.0 150.6 5.0 34.9 8.9 294 308 A N > - 0 0 58 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.289 36.2 -95.6 -85.1 179.9 1.5 34.1 7.6 295 309 A S H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.853 124.5 50.8 -73.6 -30.8 -0.4 30.9 8.7 296 310 A E H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.899 113.7 45.2 -68.7 -41.0 0.7 28.9 5.7 297 311 A E H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.911 111.6 53.2 -69.3 -40.7 4.3 29.8 6.3 298 312 A K H X S+ 0 0 70 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.858 103.3 58.0 -62.0 -35.5 4.0 29.2 10.1 299 313 A A H X S+ 0 0 47 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.891 107.4 46.3 -64.8 -39.2 2.7 25.7 9.3 300 314 A K H X S+ 0 0 114 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.894 109.9 53.7 -67.4 -42.3 5.8 24.8 7.4 301 315 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.931 106.3 53.8 -55.4 -44.9 8.0 26.3 10.2 302 316 A D H X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.869 105.4 53.7 -59.7 -37.6 6.2 24.0 12.6 303 317 A E H X S+ 0 0 78 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.897 108.6 49.0 -64.1 -39.6 7.0 21.0 10.4 304 318 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 3,-0.4 0.946 111.1 48.0 -66.5 -48.3 10.7 21.8 10.5 305 319 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 106.4 59.7 -59.9 -39.2 10.8 22.3 14.3 306 320 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.874 103.9 50.9 -57.2 -38.9 8.9 18.9 14.7 307 321 A E H X S+ 0 0 53 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.911 109.0 49.1 -66.2 -43.9 11.8 17.1 12.9 308 322 A T H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.911 112.7 50.3 -59.6 -42.3 14.5 18.7 15.2 309 323 A K H X S+ 0 0 102 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.907 106.8 53.7 -63.4 -44.0 12.4 17.6 18.2 310 324 A R H X S+ 0 0 106 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.929 114.4 40.2 -56.6 -50.2 12.0 14.0 16.9 311 325 A M H X S+ 0 0 13 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.850 108.3 61.3 -69.3 -35.3 15.8 13.6 16.6 312 326 A K H >< S+ 0 0 77 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.902 104.5 51.2 -54.6 -41.3 16.5 15.5 19.8 313 327 A A H 3< S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 108.7 49.8 -64.5 -41.6 14.5 12.7 21.5 314 328 A L H 3< 0 0 122 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.584 360.0 360.0 -74.7 -12.7 16.6 9.9 19.8 315 329 A A << 0 0 61 -4,-1.0 -217,-0.0 -3,-0.6 -3,-0.0 -0.430 360.0 360.0 -81.7 360.0 19.9 11.5 20.9