==== 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 26-JUL-04 1U4S . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.CONNERS,A.CAMERON,J.READ,F.SCHAMBACH,R.B.SESSIONS,R.L.BRAD . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.4 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 0.7 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 0 1 0 3 0 0 1 1 0 1 0 0 1 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 . 1 4 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 0 105 0, 0.0 28,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.3 48.0 38.3 21.1 2 19 A P + 0 0 145 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.290 360.0 118.4 -56.5 3.7 44.7 40.2 21.2 3 20 A K S S- 0 0 62 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.576 82.5 -99.8 -55.7 140.8 44.3 38.5 17.7 4 21 A A - 0 0 16 23,-0.4 25,-2.2 -2,-0.2 2,-0.5 -0.345 29.5-135.7 -56.1 143.7 41.3 36.3 18.0 5 22 A K E -a 29 0A 55 66,-0.3 68,-2.4 23,-0.2 69,-1.8 -0.970 20.9-168.2-105.1 122.5 41.9 32.7 18.7 6 23 A I E -ab 30 74A 2 23,-2.8 25,-2.2 -2,-0.5 2,-0.5 -0.957 2.4-162.5-115.4 116.7 39.7 30.5 16.4 7 24 A V E -ab 31 75A 2 67,-2.9 69,-2.8 -2,-0.5 2,-0.8 -0.920 5.3-157.3-108.3 121.4 39.6 26.8 17.2 8 25 A L E -ab 32 76A 0 23,-3.3 25,-2.5 -2,-0.5 2,-1.2 -0.891 6.2-157.1 -97.5 100.0 38.2 24.4 14.5 9 26 A V E S+ab 33 77A 0 67,-2.1 69,-2.7 -2,-0.8 70,-1.6 -0.725 78.2 34.1 -81.9 95.4 37.1 21.3 16.4 10 27 A G - 0 0 3 23,-2.6 24,-0.2 -2,-1.2 23,-0.2 0.240 67.0-155.4 115.6 120.2 37.3 19.0 13.4 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.221 51.7 119.0-118.5 38.4 40.0 19.3 10.7 12 29 A G S > S- 0 0 30 4,-0.0 4,-2.5 3,-0.0 5,-0.2 0.200 87.1 -58.1 -80.7-149.6 38.3 17.6 7.7 13 30 A M H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.917 138.5 46.1 -67.3 -43.9 37.4 19.2 4.4 14 31 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 114.0 50.6 -63.0 -46.2 35.2 22.0 5.9 15 32 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.880 107.7 52.8 -55.3 -42.8 37.9 22.7 8.5 16 33 A G H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.954 112.0 43.5 -70.2 -34.0 40.6 22.9 5.8 17 35 A V H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.930 112.7 54.9 -75.2 -33.4 38.6 25.6 3.7 18 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.944 108.2 47.4 -62.0 -45.1 37.8 27.5 6.9 19 37 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.937 112.1 51.1 -62.3 -45.6 41.5 27.7 7.9 20 38 A T H X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.894 111.7 45.9 -55.6 -47.2 42.4 28.9 4.4 21 39 A L H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.851 106.9 58.0 -69.9 -33.2 39.7 31.6 4.4 22 40 A I H <>S+ 0 0 2 -4,-2.3 5,-2.3 -5,-0.2 4,-0.5 0.954 111.6 43.0 -62.5 -43.0 40.6 32.8 7.9 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 -2,-0.2 0.923 110.7 53.7 -67.1 -47.5 44.2 33.4 6.6 24 42 A Q H 3<5S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 119.4 36.9 -51.3 -40.1 43.0 35.0 3.3 25 43 A K T 3<5S- 0 0 94 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.403 103.9-131.2 -97.2 2.4 40.9 37.4 5.5 26 44 A N T < 5 + 0 0 81 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.861 52.6 152.8 51.1 43.3 43.5 37.7 8.3 27 45 A L < - 0 0 21 -5,-2.3 -23,-0.4 1,-0.2 2,-0.3 0.774 56.0 -61.6 -81.3 -29.1 40.7 37.0 10.8 28 46 A G - 0 0 1 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.936 67.2 -48.9 167.3 175.4 42.7 35.5 13.7 29 47 A D E -a 5 0A 25 -25,-2.2 -23,-2.8 -2,-0.3 2,-0.4 -0.483 56.8-144.1 -66.3 148.0 45.0 32.7 14.8 30 49 A V E -ac 6 60A 1 29,-3.4 31,-2.5 -25,-0.2 2,-0.5 -0.932 16.6-166.9-123.9 136.1 43.7 29.2 13.9 31 50 A V E -ac 7 61A 10 -25,-2.2 -23,-3.3 -2,-0.4 2,-0.9 -0.992 9.9-157.0-114.7 118.9 43.9 25.9 15.6 32 51 A L E -ac 8 62A 0 29,-2.9 31,-1.7 -2,-0.5 2,-0.4 -0.856 21.9-173.5 -87.2 100.0 43.0 22.8 13.5 33 52 A F E +ac 9 63A 8 -25,-2.5 -23,-2.6 -2,-0.9 2,-0.3 -0.812 12.9 152.8 -97.9 141.0 42.0 20.3 16.2 34 53 A D - 0 0 24 29,-2.1 4,-0.1 -2,-0.4 -25,-0.0 -0.980 50.2-127.6-157.7 158.6 41.2 16.7 15.4 35 54 A I S S+ 0 0 136 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.693 86.1 96.6 -77.5 -18.7 41.2 13.3 17.0 36 55 A V S S- 0 0 79 1,-0.1 -2,-0.1 -3,-0.0 -25,-0.0 -0.607 87.1-112.4 -74.0 124.6 43.2 12.0 14.0 37 56 A K S S- 0 0 154 -2,-0.4 2,-1.9 1,-0.2 -1,-0.1 -0.312 81.1 -18.4 -59.7 129.8 47.0 12.0 14.9 38 57 A N S >> S+ 0 0 90 1,-0.2 4,-2.0 -4,-0.1 3,-0.5 -0.098 103.0 102.5 74.3 -34.5 49.2 14.5 13.0 39 58 A M H 3> S+ 0 0 62 -2,-1.9 4,-2.5 1,-0.3 5,-0.3 0.885 82.5 50.2 -46.0 -51.0 46.9 15.2 10.1 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.847 108.0 53.7 -63.4 -34.0 45.8 18.6 11.5 41 60 A H H <> S+ 0 0 82 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.877 110.3 48.6 -59.9 -39.0 49.5 19.5 12.0 42 61 A G H X S+ 0 0 41 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.933 114.0 43.6 -67.4 -47.2 50.1 18.7 8.3 43 62 A K H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.877 113.0 53.8 -62.6 -37.3 47.1 20.8 7.1 44 63 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.923 108.4 48.9 -67.5 -41.6 48.1 23.5 9.5 45 64 A L H X S+ 0 0 104 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.960 111.5 48.7 -59.0 -54.0 51.6 23.6 8.1 46 65 A D H < S+ 0 0 116 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.917 114.9 45.9 -48.4 -52.0 50.4 23.7 4.5 47 66 A T H >< S+ 0 0 10 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.857 101.5 65.3 -66.5 -38.1 48.0 26.5 5.3 48 67 A S H >< S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.3 4,-0.2 0.827 91.4 63.4 -56.4 -35.0 50.5 28.6 7.3 49 68 A H T >X S+ 0 0 99 -4,-1.2 3,-1.6 -3,-0.5 4,-0.6 0.731 86.8 73.7 -63.4 -24.2 52.7 29.3 4.3 50 69 A T H <> S+ 0 0 32 -3,-1.6 4,-2.5 -4,-0.4 -1,-0.3 0.646 73.6 82.3 -66.2 -13.2 49.7 31.2 2.6 51 70 A N H <>>S+ 0 0 23 -3,-1.7 5,-2.1 -4,-0.2 4,-0.9 0.874 91.2 52.5 -54.6 -34.4 50.4 34.0 5.1 52 71 A V H X45S+ 0 0 115 -3,-1.6 3,-0.8 -4,-0.2 -1,-0.2 0.965 111.2 42.2 -68.1 -53.6 53.1 35.1 2.6 53 72 A M H 3<5S+ 0 0 125 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 120.1 44.7 -61.2 -31.1 50.8 35.1 -0.5 54 73AA A H 3<5S- 0 0 19 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.501 102.7-125.0 -95.5 -8.0 48.0 36.8 1.4 55 73BA Y T <<5 + 0 0 226 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.2 0.869 68.3 135.5 63.0 33.3 50.0 39.5 3.2 56 74 A S < - 0 0 19 -5,-2.1 -1,-0.2 -6,-0.2 -33,-0.1 -0.572 52.8-150.8-105.1 172.2 48.5 38.1 6.4 57 75 A N + 0 0 114 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.490 41.8 136.2-143.0 70.3 49.8 37.2 9.9 58 76 A C - 0 0 1 -10,-0.1 2,-0.1 -29,-0.1 -7,-0.1 -0.971 48.0-133.2-114.0 125.9 47.7 34.4 11.4 59 77 A K - 0 0 143 -2,-0.5 -29,-3.4 -8,-0.0 2,-0.4 -0.481 19.0-164.6 -67.8 142.2 49.3 31.5 13.1 60 78 A V E +c 30 0A 15 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.970 16.4 169.0-131.4 116.3 47.8 28.2 12.0 61 79 A S E -c 31 0A 56 -31,-2.5 -29,-2.9 -2,-0.4 2,-0.2 -0.912 27.0-130.8-130.4 152.1 48.6 25.3 14.3 62 80 A G E -c 32 0A 10 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.568 23.2-169.0 -95.0 164.0 47.4 21.7 14.6 63 81 A S E +c 33 0A 2 -31,-1.7 -29,-2.1 -2,-0.2 3,-0.0 -0.953 31.2 179.0-159.5 135.1 46.2 20.1 17.8 64 83 A N S S+ 0 0 45 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.007 71.5 89.0-114.1 25.6 45.4 16.6 19.1 65 84 A T > - 0 0 72 1,-0.1 3,-2.2 0, 0.0 4,-0.1 -0.964 64.0-153.3-130.7 116.8 44.7 18.0 22.6 66 85 A Y G > S+ 0 0 32 -2,-0.5 3,-2.2 1,-0.3 4,-0.1 0.778 91.7 72.1 -57.2 -32.1 41.3 19.3 23.8 67 86 A D G > S+ 0 0 102 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.682 76.7 80.1 -64.3 -13.4 42.9 21.7 26.3 68 87 A D G < S+ 0 0 67 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.578 72.2 82.1 -69.5 -3.3 44.1 23.8 23.3 69 88 A L G X + 0 0 3 -3,-2.2 3,-2.2 -4,-0.1 -1,-0.3 0.697 66.1 119.0 -63.8 -18.1 40.5 25.1 23.5 70 89 A A T < S+ 0 0 45 -3,-2.0 38,-0.2 1,-0.3 37,-0.1 -0.214 81.3 6.9 -59.3 130.2 41.8 27.4 26.3 71 90 A G T 3 S+ 0 0 54 36,-1.2 -66,-0.3 1,-0.2 -1,-0.3 0.545 87.3 157.8 76.8 6.6 41.4 31.1 25.4 72 91 A A < - 0 0 6 -3,-2.2 -1,-0.2 1,-0.2 -66,-0.2 -0.484 27.2-170.2 -64.0 132.5 39.4 30.4 22.2 73 92 A D S S+ 0 0 72 -68,-2.4 39,-2.4 1,-0.3 2,-0.4 0.755 79.2 23.3 -83.4 -36.7 37.3 33.4 21.1 74 93 A V E -bd 6 112A 0 -69,-1.8 -67,-2.9 37,-0.2 2,-0.4 -0.998 67.2-168.0-135.3 134.0 35.5 31.4 18.5 75 94 A V E -bd 7 113A 0 37,-2.6 39,-2.6 -2,-0.4 2,-0.5 -0.983 3.2-165.7-124.3 128.8 35.0 27.6 18.3 76 95 A I E -bd 8 114A 0 -69,-2.8 -67,-2.1 -2,-0.4 2,-0.7 -0.958 7.9-155.2-121.7 119.4 33.7 25.9 15.2 77 96 A V E +bd 9 115A 0 37,-2.6 39,-2.6 -2,-0.5 40,-1.3 -0.830 35.8 143.0-105.4 109.0 32.5 22.3 15.5 78 97 A T + 0 0 31 -69,-2.7 -68,-0.2 -2,-0.7 40,-0.2 0.408 39.0 118.8-113.6 -6.4 32.5 20.0 12.5 79 98 A A + 0 0 25 -70,-1.6 2,-0.2 38,-0.1 38,-0.1 -0.320 37.5 99.4 -63.1 143.0 33.5 16.8 14.2 80 99 A G S S- 0 0 28 37,-0.1 2,-0.2 16,-0.1 13,-0.1 -0.707 71.8 -76.0 157.4 156.3 31.0 13.9 14.1 81 100 A F + 0 0 106 -2,-0.2 37,-0.1 8,-0.2 12,-0.1 -0.558 35.8 169.7 -69.5 138.5 30.2 10.7 12.3 82 101 A T 0 0 118 -2,-0.2 -1,-0.1 1,-0.1 7,-0.1 0.431 360.0 360.0-117.4 -13.8 28.7 11.0 8.8 83 102 A K 0 0 209 6,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.846 360.0 360.0-133.2 360.0 28.9 7.2 7.9 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 108 A N >> 0 0 127 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 177.5 21.2 4.8 8.8 86 109 A R G >4 + 0 0 146 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.888 360.0 53.7 -47.2 -49.5 21.3 8.6 9.5 87 110 A D G >4 S+ 0 0 29 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.807 98.4 63.4 -59.0 -32.4 19.2 8.2 12.6 88 111 A D G <4 S+ 0 0 105 -3,-0.9 4,-0.5 1,-0.3 -1,-0.2 0.716 97.8 57.7 -66.5 -23.7 21.6 5.5 14.1 89 112 A L G S+ 0 0 3 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.2 0.901 90.3 40.1 -51.3 -55.0 22.3 10.4 16.4 91 114 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.847 114.2 55.8 -68.7 -29.2 23.3 9.0 19.8 92 115 A L H > S+ 0 0 77 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.894 110.6 43.5 -65.1 -43.9 27.0 8.7 18.7 93 116 A N H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.813 107.4 59.9 -74.8 -29.7 27.2 12.3 17.7 94 117 A N H X S+ 0 0 18 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.931 103.8 52.2 -55.8 -47.1 25.4 13.3 20.9 95 118 A K H X S+ 0 0 157 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.924 108.6 50.3 -55.8 -45.1 28.3 11.6 22.8 96 119 A I H X S+ 0 0 33 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.944 110.3 49.4 -59.9 -42.1 30.7 13.8 20.7 97 120 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.884 110.4 51.7 -65.3 -38.7 28.7 17.0 21.6 98 121 A I H X S+ 0 0 70 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.933 110.8 46.2 -60.6 -51.1 28.8 16.0 25.2 99 122 A E H X S+ 0 0 92 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.915 116.2 45.5 -62.3 -41.8 32.6 15.5 25.2 100 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.942 110.8 53.5 -68.8 -42.3 33.2 18.8 23.3 101 124 A G H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.882 105.2 54.5 -58.7 -43.3 30.8 20.7 25.6 102 125 A G H X S+ 0 0 26 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.909 110.2 45.9 -51.7 -49.5 32.6 19.5 28.6 103 126 A H H X S+ 0 0 48 -4,-1.5 4,-3.2 2,-0.2 5,-0.4 0.871 112.1 51.1 -67.1 -34.7 35.9 20.9 27.3 104 127 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.933 109.1 50.7 -65.4 -45.1 34.3 24.2 26.2 105 128 A K H < S+ 0 0 114 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 119.2 37.9 -60.5 -40.7 32.8 24.6 29.7 106 129 A K H < S+ 0 0 176 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.939 129.5 26.5 -74.9 -46.5 36.2 24.0 31.3 107 130 A N H < S+ 0 0 39 -4,-3.2 -36,-1.2 1,-0.2 -3,-0.2 0.800 134.7 10.4 -96.8 -32.5 38.5 25.8 28.8 108 131 A C >< + 0 0 6 -4,-2.0 3,-1.8 -5,-0.4 -1,-0.2 -0.379 58.4 158.6-150.8 65.7 36.6 28.6 27.0 109 132AA P T 3 S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.682 80.8 55.8 -65.7 -18.9 33.2 29.3 28.6 110 132BA N T 3 S+ 0 0 129 -38,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.427 83.8 119.2 -96.0 3.9 33.2 32.7 27.0 111 133 A A < - 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0 0 50 -2,-0.3 4,-1.9 -3,-0.1 5,-0.1 -0.613 20.7-119.3-100.1 159.1 8.2 32.0 -14.1 202 221 A D H > S+ 0 0 70 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.882 115.8 52.6 -57.9 -40.4 6.5 30.4 -11.1 203 222 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 107.2 50.5 -67.7 -40.3 7.4 27.0 -12.5 204 223 A E H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.825 110.4 51.6 -54.5 -51.0 11.1 27.8 -12.9 205 225 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.895 106.6 53.0 -60.9 -32.6 11.0 29.0 -9.3 206 226 A E H X S+ 0 0 130 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.919 109.7 48.7 -64.3 -37.9 9.5 25.7 -8.1 207 227 A A H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.927 111.2 50.0 -66.6 -40.4 12.3 23.9 -9.9 208 228 A I H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.875 108.6 52.9 -64.2 -37.9 14.9 26.1 -8.2 209 229 A F H X S+ 0 0 35 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 111.2 45.8 -63.3 -47.0 13.2 25.5 -4.8 210 230 A D H X S+ 0 0 102 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 112.4 51.4 -60.0 -40.5 13.5 21.7 -5.3 211 231 A R H < S+ 0 0 111 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.902 109.2 51.2 -64.1 -37.6 17.1 22.1 -6.5 212 232 A T H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.937 111.3 46.3 -65.0 -48.8 17.9 24.2 -3.4 213 233 A V H 3< S+ 0 0 36 -4,-2.4 3,-0.4 1,-0.2 4,-0.2 0.926 119.2 41.6 -60.1 -42.6 16.5 21.6 -1.1 214 234 A N T 3X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.279 80.6 109.9 -93.0 10.9 18.3 18.8 -2.9 215 235 A T H <> S+ 0 0 2 -3,-1.1 4,-2.7 -4,-0.4 5,-0.2 0.884 75.8 51.8 -58.2 -46.3 21.6 20.5 -3.5 216 236 A A H > S+ 0 0 49 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.955 114.7 45.3 -53.6 -47.6 23.7 18.4 -1.0 217 237 A L H > S+ 0 0 93 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.854 110.2 53.4 -63.8 -40.0 22.3 15.3 -2.7 218 238 A E H X S+ 0 0 62 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.931 110.7 46.9 -60.1 -47.1 22.9 16.7 -6.2 219 239 A I H <>S+ 0 0 48 -4,-2.7 5,-1.9 2,-0.2 -2,-0.2 0.914 113.5 48.9 -59.7 -42.4 26.6 17.4 -5.3 220 240 A V H ><5S+ 0 0 75 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.895 108.7 51.9 -69.0 -38.7 27.0 13.9 -3.8 221 241 A N H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 102.7 60.5 -69.5 -22.1 25.4 12.2 -6.9 222 242 A L T 3<5S- 0 0 125 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.321 124.4-108.2 -81.5 8.8 28.0 14.2 -9.0 223 243 A H T < 5S+ 0 0 185 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.827 89.3 95.7 67.6 33.6 30.6 12.3 -7.0 224 244 A A < - 0 0 59 -5,-1.9 -1,-0.3 2,-0.0 -2,-0.1 -0.716 64.6-131.6-126.7-173.2 31.8 15.3 -5.0 225 245 A S - 0 0 66 -2,-0.2 2,-0.5 -3,-0.1 3,-0.3 -0.993 23.4-107.5-144.2 146.5 30.8 16.5 -1.5 226 246 A P + 0 0 40 0, 0.0 -212,-0.1 0, 0.0 -213,-0.0 -0.562 66.4 116.8 -74.6 120.0 29.8 19.9 -0.3 227 247 A Y > + 0 0 72 -2,-0.5 4,-2.0 -214,-0.1 5,-0.1 0.433 59.9 67.2-151.0 -25.2 32.4 21.7 1.8 228 248 A V H > S+ 0 0 91 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.972 108.9 38.1 -65.4 -55.5 33.6 24.9 0.1 229 249 A A H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 113.6 55.3 -66.3 -43.2 30.3 26.7 0.4 230 250 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.941 111.3 48.1 -49.5 -43.4 29.6 25.4 3.9 231 251 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 110.4 48.4 -66.5 -44.9 33.0 26.8 4.8 232 252 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.900 111.4 51.4 -63.7 -39.0 32.5 30.2 3.3 233 253 A A H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.931 109.6 49.4 -61.5 -46.3 29.1 30.5 5.0 234 254 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.897 111.2 49.7 -61.5 -41.2 30.6 29.6 8.4 235 255 A I H X S+ 0 0 2 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.876 105.9 55.8 -68.1 -34.9 33.3 32.2 7.9 236 256 A E H X S+ 0 0 33 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.929 112.4 44.2 -59.3 -42.3 30.8 34.9 7.0 237 257 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.932 115.6 46.0 -63.7 -50.2 29.1 34.2 10.3 238 258 A A H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.899 111.6 52.7 -63.7 -40.3 32.3 34.1 12.3 239 259 A E H X S+ 0 0 21 -4,-3.2 4,-2.8 1,-0.2 6,-0.3 0.888 104.1 55.6 -64.2 -40.5 33.5 37.2 10.6 240 260 A S H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.2 6,-0.7 0.895 112.8 43.4 -58.4 -41.6 30.3 39.1 11.5 241 261 A Y H ><5S+ 0 0 34 -4,-1.6 3,-0.8 3,-0.2 -2,-0.2 0.957 115.7 47.0 -63.0 -56.4 30.9 38.3 15.2 242 262 A L H 3<5S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.865 122.1 34.3 -57.4 -40.2 34.6 39.0 15.2 243 263 A K T 3<5S- 0 0 111 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.372 104.0-124.3-101.4 4.2 34.4 42.3 13.4 244 264 A D T < 5 + 0 0 65 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.914 54.8 154.7 54.9 47.0 31.0 43.3 14.9 245 265 A L < - 0 0 84 -5,-1.8 28,-0.2 -6,-0.3 -4,-0.1 0.752 42.3-143.7 -73.6 -27.9 29.5 43.8 11.5 246 266 A K + 0 0 89 26,-1.3 27,-0.2 -6,-0.7 -5,-0.1 0.824 32.0 177.2 61.0 39.1 25.9 43.2 12.7 247 267 A K E - H 0 272A 57 25,-0.8 25,-2.1 -10,-0.1 2,-0.8 -0.372 35.3-119.4 -68.2 146.4 25.0 41.3 9.6 248 268 A V E + H 0 271A 85 23,-0.2 2,-0.4 -2,-0.1 23,-0.2 -0.844 47.3 167.2 -88.5 113.0 21.5 39.8 9.3 249 269 A L E - H 0 270A 9 21,-2.6 21,-2.4 -2,-0.8 2,-0.6 -0.992 37.7-122.4-135.2 134.9 22.3 36.1 8.8 250 270 A I E + H 0 269A 11 -2,-0.4 -106,-1.5 19,-0.3 -108,-0.5 -0.722 48.4 153.3 -85.8 119.5 19.9 33.1 9.1 251 271 A C E -FH 141 268A 0 17,-2.3 17,-2.0 -2,-0.6 2,-0.5 -0.937 51.7 -93.4-140.5 161.0 21.1 30.7 11.7 252 272 A S E +FH 140 267A 2 -112,-2.2 -112,-1.9 -2,-0.3 2,-0.3 -0.673 57.6 159.3 -77.6 121.8 19.9 28.0 14.1 253 273 A T E - H 0 266A 4 13,-1.9 13,-1.9 -2,-0.5 2,-0.4 -0.925 48.2 -77.0-141.0 161.3 19.3 29.7 17.4 254 274 A L E - H 0 265A 25 -119,-0.4 2,-0.4 -116,-0.3 11,-0.2 -0.514 44.4-143.0 -64.5 120.0 17.3 29.1 20.6 255 275 A L E + H 0 264A 1 9,-2.9 8,-0.9 -2,-0.4 9,-0.6 -0.706 20.8 179.4 -83.6 132.3 13.6 29.9 20.1 256 276 A E E S- H 0 262A 104 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.393 80.3 -39.7-127.7 50.0 11.8 31.5 23.1 257 277 A G S > S+ 0 0 37 4,-3.0 3,-2.4 1,-0.4 5,-0.2 0.052 94.2 136.1 118.9 -24.3 8.3 31.9 21.6 258 278 A Q G > S+ 0 0 27 1,-0.3 3,-1.8 2,-0.2 -1,-0.4 -0.300 84.2 5.7 -57.3 133.6 9.1 33.0 18.1 259 279 A Y G 3 S- 0 0 8 1,-0.3 -1,-0.3 24,-0.2 3,-0.1 0.590 131.8 -68.5 66.0 15.0 6.8 31.1 15.7 260 280 A G G < S+ 0 0 62 -3,-2.4 2,-0.4 1,-0.2 -1,-0.3 0.588 107.2 122.2 81.2 14.1 5.0 29.6 18.7 261 281 A H < + 0 0 24 -3,-1.8 -4,-3.0 -4,-0.1 2,-0.3 -0.910 32.1 168.5-120.7 133.7 8.0 27.6 19.6 262 282 A S E + H 0 256A 56 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.882 59.0 30.6-129.7 165.7 10.2 27.3 22.7 263 283 A D E S+ 0 0 127 -8,-0.9 2,-0.3 -2,-0.3 -7,-0.1 0.679 101.6 87.7 59.2 38.5 12.9 25.1 24.2 264 285 A I E S- H 0 255A 0 -9,-0.6 -9,-2.9 -3,-0.1 2,-0.4 -0.952 72.9-121.4-158.0 155.0 14.2 24.2 20.7 265 286 A F E + H 0 254A 0 -144,-0.4 2,-0.3 -2,-0.3 -11,-0.2 -0.860 37.9 162.0 -99.2 141.0 16.7 25.6 18.1 266 287 A G E - H 0 253A 0 -13,-1.9 -13,-1.9 -2,-0.4 2,-0.4 -0.987 42.7 -86.0-154.2 162.6 15.6 26.5 14.7 267 288 A G E +GH 171 252A 6 -96,-1.2 -96,-2.6 -2,-0.3 -15,-0.2 -0.535 59.1 137.9 -76.2 121.8 16.6 28.5 11.6 268 289 A T E - H 0 251A 0 -17,-2.0 -17,-2.3 -2,-0.4 2,-0.2 -0.969 58.8 -82.4-153.3 155.6 15.7 32.2 11.7 269 290 A P E + H 0 250A 1 0, 0.0 12,-3.0 0, 0.0 2,-0.3 -0.454 52.4 173.9 -61.0 129.9 17.3 35.5 10.8 270 291 A V E -IH 280 249A 0 -21,-2.4 -21,-2.6 10,-0.2 2,-0.5 -0.872 32.5-119.7-126.3 165.4 19.5 36.8 13.6 271 292 A V E -IH 279 248A 7 8,-2.1 7,-2.5 -2,-0.3 8,-0.8 -0.956 26.4-156.4-108.0 122.4 21.9 39.7 13.9 272 293 A L E +IH 277 247A 0 -25,-2.1 -26,-1.3 -2,-0.5 -25,-0.8 -0.899 31.6 132.7-105.7 119.9 25.5 38.7 14.6 273 294 A G E > S-I 276 0A 0 3,-2.4 3,-2.5 -2,-0.6 -32,-0.1 -0.748 72.0 -56.6-142.6-166.1 27.8 41.2 16.3 274 295 A A T 3 S+ 0 0 47 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.751 132.3 52.7 -53.7 -26.7 30.4 41.6 19.1 275 296 A N T 3 S- 0 0 111 1,-0.3 2,-0.4 -31,-0.0 -1,-0.3 0.213 111.0-124.1 -94.9 20.1 27.7 40.4 21.6 276 297 A G E < S+I 273 0A 0 -3,-2.5 -3,-2.4 -35,-0.1 2,-1.2 -0.669 87.3 16.8 81.5-133.5 27.0 37.3 19.6 277 298 A V E S+I 272 0A 14 -141,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.658 72.0 174.4 -70.2 98.6 23.4 36.9 18.7 278 299 A E E + 0 0 52 -7,-2.5 2,-0.3 -2,-1.2 -1,-0.2 0.706 65.1 11.0 -80.5 -28.6 22.3 40.5 19.3 279 301 A Q E -I 271 0A 113 -8,-0.8 -8,-2.1 -3,-0.1 2,-0.5 -0.974 58.7-147.6-151.5 140.0 18.7 40.1 17.9 280 302 A V E -I 270 0A 41 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.984 24.5-151.0-103.7 121.8 16.5 37.2 17.0 281 303 A I - 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