==== 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 22-SEP-04 1XIV . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.CONNERS,A.CAMERON,J.A.READ,F.SCHAMBACH,R.B.SESSIONS,R.L.BR . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 78.5 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 . 31 10.1 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 . 22 7.2 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 0 1 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 . 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 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.0 48.6 38.6 21.3 2 19 A P + 0 0 141 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.306 360.0 125.5 -60.1 1.2 44.9 40.0 21.2 3 20 A K S S- 0 0 64 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.441 75.7-101.7 -51.8 140.5 44.7 38.3 17.7 4 21 A A - 0 0 16 23,-0.4 25,-2.5 -2,-0.1 2,-0.5 -0.352 27.9-139.5 -67.3 149.4 41.7 36.0 17.9 5 22 A K E -a 29 0A 55 66,-0.3 68,-2.7 23,-0.2 69,-1.6 -0.979 18.4-169.2-112.2 124.3 42.3 32.3 18.5 6 23 A I E -ab 30 74A 1 23,-2.6 25,-2.4 -2,-0.5 2,-0.6 -0.965 3.5-161.6-119.9 117.5 40.0 30.0 16.4 7 24 A V E -ab 31 75A 2 67,-2.8 69,-2.5 -2,-0.5 2,-0.8 -0.894 4.8-157.2-107.6 123.3 39.8 26.4 17.2 8 25 A L E -ab 32 76A 0 23,-3.2 25,-2.6 -2,-0.6 2,-1.2 -0.878 6.6-157.1 -96.3 105.5 38.5 24.0 14.6 9 26 A V E S+ab 33 77A 0 67,-2.2 69,-2.3 -2,-0.8 70,-1.7 -0.726 77.3 34.7 -89.3 96.6 37.3 20.9 16.5 10 27 A G - 0 0 4 23,-2.4 24,-0.2 -2,-1.2 23,-0.2 0.127 67.6-153.7 117.5 119.1 37.5 18.5 13.6 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.162 52.2 118.9-116.6 36.8 40.2 18.7 10.9 12 29 A G S > S- 0 0 30 3,-0.0 4,-2.2 4,-0.0 5,-0.1 0.216 85.9 -58.5 -80.9-152.3 38.4 17.1 7.9 13 30 A M H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.908 136.9 45.7 -66.9 -44.2 37.5 18.6 4.6 14 31 A I H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 112.9 52.4 -63.7 -43.1 35.4 21.5 5.9 15 32 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.881 106.9 53.0 -57.5 -42.0 38.0 22.2 8.5 16 33 A G H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.949 110.9 45.1 -63.3 -37.8 40.8 22.4 5.9 17 35 A V H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.5 54.3 -74.5 -36.1 38.9 24.9 3.8 18 36 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.924 107.8 48.3 -58.8 -45.6 38.1 26.9 6.9 19 37 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.919 111.9 51.2 -61.8 -44.0 41.7 27.2 7.9 20 38 A T H X S+ 0 0 55 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.916 112.7 44.7 -55.7 -48.6 42.6 28.2 4.3 21 39 A L H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.866 108.4 56.5 -70.8 -34.8 39.9 31.0 4.3 22 40 A I H <>S+ 0 0 2 -4,-2.5 5,-2.3 2,-0.2 4,-0.4 0.922 110.8 45.2 -61.0 -44.1 40.9 32.2 7.8 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.929 110.3 53.3 -66.1 -45.1 44.5 32.8 6.6 24 42 A Q H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.871 117.4 38.9 -53.3 -39.9 43.3 34.4 3.3 25 43 A K T 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.418 103.7-131.1 -92.8 0.7 41.2 36.8 5.5 26 44 A N T < 5 + 0 0 81 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.858 53.7 151.7 49.1 43.5 43.8 37.2 8.2 27 45 A L < - 0 0 17 -5,-2.3 -23,-0.4 1,-0.2 2,-0.3 0.766 55.7 -60.2 -80.1 -28.3 41.1 36.5 10.8 28 46 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.931 66.3 -50.3 168.5 175.6 43.1 35.0 13.6 29 47 A D E -a 5 0A 30 -25,-2.5 -23,-2.6 -2,-0.3 2,-0.4 -0.409 56.5-144.7 -67.8 146.0 45.3 32.2 14.8 30 49 A V E -ac 6 60A 1 29,-2.9 31,-2.2 -25,-0.2 2,-0.5 -0.972 16.0-166.2-122.9 130.6 44.0 28.6 13.9 31 50 A V E -ac 7 61A 10 -25,-2.4 -23,-3.2 -2,-0.4 2,-0.9 -0.991 10.0-156.4-109.8 122.1 44.1 25.4 15.7 32 51 A L E -ac 8 62A 0 29,-3.1 31,-1.8 -2,-0.5 2,-0.4 -0.866 22.8-172.3 -90.2 99.9 43.2 22.3 13.6 33 52 A F E +ac 9 63A 7 -25,-2.6 -23,-2.4 -2,-0.9 2,-0.3 -0.801 15.8 147.5 -94.8 140.6 42.1 19.9 16.3 34 53 A D - 0 0 29 29,-2.1 -2,-0.0 -2,-0.4 -25,-0.0 -0.973 51.9-127.4-158.6 159.7 41.3 16.2 15.7 35 54 A I S S+ 0 0 119 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.687 85.4 100.6 -79.7 -16.8 41.6 12.9 17.5 36 55 A V S S- 0 0 70 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.490 80.7-119.4 -66.7 126.7 43.4 11.6 14.4 37 56 A K S S- 0 0 139 -2,-0.3 2,-2.6 1,-0.2 -1,-0.1 -0.429 78.4 -9.8 -67.5 142.4 47.2 11.5 15.0 38 57 A N S >> S+ 0 0 125 1,-0.2 4,-1.8 -2,-0.1 3,-0.6 -0.226 106.9 92.9 76.1 -49.3 49.6 13.6 12.8 39 58 A M H 3> S+ 0 0 61 -2,-2.6 4,-2.4 1,-0.2 5,-0.2 0.821 83.6 49.8 -48.5 -50.0 47.1 14.6 10.1 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 110.2 52.6 -61.7 -36.6 46.0 18.0 11.7 41 60 A H H <> S+ 0 0 87 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.881 109.7 49.5 -61.1 -39.9 49.7 18.9 12.0 42 61 A G H X S+ 0 0 43 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.941 113.4 43.8 -65.5 -46.6 50.2 18.1 8.3 43 62 A K H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.886 113.3 53.6 -65.1 -38.2 47.3 20.2 7.1 44 63 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.898 108.9 48.5 -62.6 -42.0 48.3 23.0 9.5 45 64 A L H X S+ 0 0 104 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.952 112.0 47.9 -67.7 -48.5 51.9 23.0 8.1 46 65 A D H >< S+ 0 0 115 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.945 115.3 45.8 -53.6 -49.2 50.7 23.1 4.5 47 66 A T H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.859 101.6 66.0 -67.2 -34.4 48.2 25.9 5.3 48 67 A S H >< S+ 0 0 31 -4,-2.3 3,-1.6 1,-0.3 4,-0.2 0.813 91.4 63.0 -61.0 -32.2 50.7 28.0 7.3 49 68 A H T XX S+ 0 0 104 -4,-1.1 3,-1.7 -3,-0.7 4,-0.6 0.764 86.7 73.6 -67.1 -23.9 52.9 28.7 4.3 50 69 A T H <> S+ 0 0 31 -3,-1.5 4,-2.6 -4,-0.5 -1,-0.3 0.615 73.4 82.6 -68.0 -12.6 50.0 30.6 2.6 51 70 A N H <>>S+ 0 0 24 -3,-1.6 5,-1.9 -4,-0.3 4,-0.9 0.877 90.9 53.5 -53.3 -34.6 50.6 33.5 5.1 52 71 A V H X45S+ 0 0 123 -3,-1.7 3,-0.9 -4,-0.2 -2,-0.2 0.977 111.7 40.1 -67.2 -54.6 53.3 34.5 2.6 53 72 A M H 3<5S+ 0 0 140 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.830 120.9 46.0 -61.1 -33.0 51.1 34.5 -0.5 54 73AA A H 3<5S- 0 0 26 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.520 102.9-126.4 -90.7 -6.6 48.2 36.1 1.4 55 73BA Y T <<5 + 0 0 223 -3,-0.9 2,-0.2 -4,-0.9 -3,-0.2 0.858 66.7 135.7 56.2 39.1 50.2 38.8 3.3 56 74 A S < - 0 0 19 -5,-1.9 -1,-0.2 -6,-0.2 -33,-0.1 -0.564 53.4-150.3-108.2 171.9 48.8 37.5 6.5 57 75 A N + 0 0 103 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.476 42.2 137.6-142.2 65.8 50.1 36.7 9.9 58 76 A C - 0 0 2 -10,-0.1 2,-0.1 -30,-0.1 -29,-0.1 -0.971 48.2-132.1-112.4 127.4 48.0 33.9 11.4 59 77 A K - 0 0 134 -2,-0.5 -29,-2.9 -8,-0.0 2,-0.4 -0.492 19.8-163.6 -69.7 140.6 49.6 30.9 13.2 60 78 A V E +c 30 0A 17 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.960 17.5 166.6-130.7 114.1 48.2 27.6 12.0 61 79 A S E -c 31 0A 56 -31,-2.2 -29,-3.1 -2,-0.4 2,-0.2 -0.884 27.8-133.9-126.6 151.3 48.9 24.7 14.4 62 80 A G E -c 32 0A 10 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.669 25.5-171.7 -98.6 162.2 47.6 21.1 14.7 63 81 A S E +c 33 0A 2 -31,-1.8 -29,-2.1 -2,-0.2 3,-0.0 -0.978 35.7 179.1-159.2 141.0 46.5 19.5 17.9 64 83 A N S S+ 0 0 45 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.087 70.8 94.2-116.0 15.5 45.4 16.2 19.5 65 84 A T > - 0 0 77 1,-0.1 3,-1.9 2,-0.0 4,-0.1 -0.909 61.3-157.0-114.0 117.0 45.0 17.9 22.9 66 85 A Y G > S+ 0 0 33 -2,-0.6 3,-2.2 1,-0.3 4,-0.1 0.786 89.4 71.8 -60.7 -28.9 41.7 19.2 24.1 67 86 A D G > S+ 0 0 92 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.660 77.4 79.8 -65.8 -14.9 43.3 21.6 26.5 68 87 A D G < S+ 0 0 67 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.546 72.2 80.9 -66.5 -6.1 44.4 23.6 23.5 69 88 A L G X + 0 0 3 -3,-2.2 3,-2.3 -4,-0.1 -1,-0.3 0.699 67.4 115.6 -65.3 -19.4 40.8 25.0 23.6 70 89 A A T < S+ 0 0 42 -3,-1.9 36,-0.2 1,-0.3 35,-0.1 -0.265 80.9 13.2 -54.3 134.9 42.1 27.3 26.3 71 90 A G T 3 S+ 0 0 54 34,-1.0 -66,-0.3 1,-0.3 -1,-0.3 0.481 88.5 154.9 79.1 2.9 41.9 30.9 25.2 72 91 A A < - 0 0 6 -3,-2.3 -1,-0.3 1,-0.2 -66,-0.2 -0.406 27.6-174.1 -66.0 136.0 39.7 30.2 22.2 73 92 A D S S+ 0 0 69 -68,-2.7 37,-2.3 1,-0.4 2,-0.3 0.744 78.7 23.4 -91.4 -35.4 37.6 33.1 21.1 74 93 A V E -bd 6 110A 0 -69,-1.6 -67,-2.8 35,-0.2 2,-0.4 -0.997 65.6-169.0-132.8 137.1 35.7 31.0 18.5 75 94 A V E -bd 7 111A 0 35,-2.3 37,-2.6 -2,-0.3 2,-0.5 -0.999 4.8-165.8-126.9 126.6 35.2 27.2 18.4 76 95 A I E -bd 8 112A 0 -69,-2.5 -67,-2.2 -2,-0.4 2,-0.7 -0.968 8.7-153.9-119.5 115.0 33.8 25.5 15.3 77 96 A V E +bd 9 113A 0 35,-3.0 37,-2.9 -2,-0.5 38,-1.2 -0.829 36.7 143.8-101.0 111.8 32.6 21.9 15.6 78 97 A T + 0 0 29 -69,-2.3 -68,-0.2 -2,-0.7 38,-0.2 0.431 37.3 122.1-112.7 -6.2 32.6 19.6 12.6 79 98 A A + 0 0 25 -70,-1.7 2,-0.2 36,-0.1 36,-0.1 -0.246 37.4 98.5 -59.5 143.6 33.6 16.4 14.5 80 99 A G S S- 0 0 31 35,-0.1 2,-0.2 14,-0.1 11,-0.1 -0.678 70.7 -81.1 152.3 151.8 31.2 13.5 14.2 81 100 A F 0 0 114 -2,-0.2 35,-0.1 6,-0.2 10,-0.1 -0.538 360.0 360.0 -70.6 143.8 30.3 10.3 12.4 82 101 A T 0 0 166 -2,-0.2 -2,-0.0 33,-0.1 33,-0.0 -0.837 360.0 360.0-130.8 360.0 28.6 10.6 9.0 83 ! 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 84 109 A R > 0 0 212 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 138.0 20.9 7.8 9.6 85 110 A D T > + 0 0 55 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.703 360.0 73.1 -61.4 -25.4 19.4 7.8 13.1 86 111 A D T 3> S+ 0 0 109 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.787 92.3 57.6 -61.8 -29.0 21.8 5.2 14.4 87 112 A L H <> S+ 0 0 43 -3,-1.7 4,-2.7 1,-0.2 5,-0.3 0.690 85.0 85.0 -73.7 -19.0 24.6 7.8 14.4 88 113 A L H <> S+ 0 0 5 -3,-1.3 4,-2.2 -4,-0.3 -1,-0.2 0.920 91.5 41.6 -54.4 -54.4 22.6 10.1 16.7 89 114 A P H > S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.865 114.6 54.1 -62.6 -33.4 23.6 8.6 20.1 90 115 A L H X S+ 0 0 62 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.924 111.7 43.6 -63.4 -46.9 27.2 8.3 18.9 91 116 A N H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.814 107.4 60.1 -73.0 -28.4 27.4 12.0 17.9 92 117 A N H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.936 103.0 52.6 -58.0 -44.8 25.7 13.0 21.2 93 118 A K H X S+ 0 0 113 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.880 108.6 50.3 -61.2 -35.5 28.6 11.4 23.0 94 119 A I H X S+ 0 0 36 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.925 109.9 49.7 -67.0 -43.7 31.0 13.5 21.0 95 120 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.881 109.9 52.7 -61.7 -36.3 29.0 16.6 21.8 96 121 A I H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.946 111.1 45.7 -61.5 -48.6 29.1 15.7 25.5 97 122 A E H X S+ 0 0 94 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.949 116.0 44.7 -60.9 -50.3 32.9 15.2 25.4 98 123 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.900 110.8 55.1 -64.1 -39.1 33.5 18.5 23.5 99 124 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.900 105.1 52.0 -62.4 -41.9 31.0 20.4 25.7 100 125 A G H X S+ 0 0 35 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.909 110.9 48.5 -61.3 -40.1 32.9 19.4 28.9 101 126 A H H X S+ 0 0 53 -4,-1.6 4,-2.7 2,-0.2 5,-0.4 0.867 110.7 50.7 -70.3 -35.1 36.1 20.6 27.4 102 127 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 109.4 50.5 -65.0 -43.6 34.5 24.0 26.3 103 128 A K H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.8 40.1 -62.1 -41.7 33.1 24.5 29.8 104 129 A K H < S+ 0 0 154 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.925 129.2 23.6 -70.6 -47.0 36.5 23.9 31.4 105 130 A N H < S+ 0 0 28 -4,-2.7 -34,-1.0 1,-0.2 -3,-0.2 0.751 134.8 12.3-100.4 -30.7 38.8 25.7 28.9 106 131 A C >< + 0 0 7 -4,-2.2 3,-2.0 -5,-0.4 -1,-0.2 -0.312 58.5 157.1-151.3 58.8 36.9 28.4 27.1 107 132AA P T 3 S+ 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.679 79.8 54.5 -63.0 -19.5 33.5 29.1 28.6 108 132BA N T 3 S+ 0 0 129 -36,-0.1 -5,-0.1 -6,-0.1 2,-0.0 0.308 84.0 117.3 -96.4 8.8 33.5 32.5 27.0 109 133 A A < - 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0 0 46 -2,-0.3 4,-1.9 -3,-0.2 5,-0.1 -0.586 23.0-115.6 -99.5 163.4 8.4 31.6 -14.0 200 221 A D H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.890 118.0 53.2 -57.3 -41.8 6.7 29.9 -11.1 201 222 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 107.7 50.1 -64.0 -40.9 7.6 26.5 -12.6 202 223 A E H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 110.3 50.5 -60.6 -40.1 11.3 27.5 -12.9 203 225 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.919 107.0 54.2 -70.0 -35.7 11.2 28.6 -9.2 204 226 A E H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.912 109.1 48.2 -58.0 -44.7 9.7 25.3 -8.1 205 227 A A H X S+ 0 0 60 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.911 111.3 50.3 -63.8 -40.8 12.5 23.4 -9.9 206 228 A I H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 108.2 53.8 -63.0 -38.7 15.1 25.7 -8.2 207 229 A F H X S+ 0 0 20 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 110.2 46.0 -60.5 -48.2 13.4 25.1 -4.8 208 230 A D H X S+ 0 0 95 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.906 111.9 51.6 -62.9 -38.3 13.7 21.3 -5.3 209 231 A R H < S+ 0 0 114 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.890 108.6 52.2 -64.9 -37.5 17.3 21.7 -6.4 210 232 A T H >< S+ 0 0 1 -4,-2.3 3,-1.3 2,-0.2 4,-0.3 0.952 110.4 46.3 -64.1 -50.2 18.1 23.7 -3.3 211 233 A V H 3< S+ 0 0 36 -4,-2.2 3,-0.4 1,-0.2 4,-0.2 0.925 120.5 40.3 -59.3 -42.5 16.6 21.1 -0.9 212 234 A N T 3X S+ 0 0 73 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.235 80.8 109.8 -92.8 16.4 18.5 18.3 -2.8 213 235 A T H <> S+ 0 0 2 -3,-1.3 4,-2.6 -4,-0.2 5,-0.2 0.887 76.3 51.5 -65.5 -44.1 21.8 20.0 -3.4 214 236 A A H > S+ 0 0 47 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.945 114.0 46.4 -56.2 -45.4 23.9 18.0 -1.0 215 237 A L H > S+ 0 0 95 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 109.5 53.9 -63.6 -42.5 22.5 14.8 -2.6 216 238 A E H X S+ 0 0 65 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.916 111.8 45.4 -57.4 -43.5 23.1 16.2 -6.1 217 239 A I H <>S+ 0 0 48 -4,-2.6 5,-1.6 2,-0.2 3,-0.4 0.911 111.3 51.5 -70.1 -40.0 26.8 16.8 -5.2 218 240 A V H ><5S+ 0 0 71 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.909 108.8 51.6 -61.8 -42.1 27.3 13.4 -3.5 219 241 A N H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.710 99.5 64.9 -70.2 -19.8 25.8 11.7 -6.7 220 242 A L T 3<5S- 0 0 127 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.365 123.9-105.2 -83.1 10.3 28.3 13.6 -8.8 221 243 A H T < 5S+ 0 0 184 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.896 96.4 87.6 69.6 35.6 31.1 11.7 -7.0 222 244 A A < - 0 0 60 -5,-1.6 -1,-0.3 -4,-0.2 -2,-0.1 -0.662 64.6-143.7-134.4-164.3 32.0 14.8 -4.9 223 245 A S - 0 0 62 -2,-0.2 2,-0.6 -3,-0.1 -8,-0.1 -0.936 28.8 -91.4-164.9 153.1 30.6 16.1 -1.6 224 246 A P + 0 0 30 0, 0.0 -210,-0.1 0, 0.0 -10,-0.0 -0.580 68.3 118.2 -80.5 117.6 29.9 19.6 -0.1 225 247 A Y > + 0 0 87 -2,-0.6 4,-1.9 -212,-0.1 5,-0.1 0.472 64.1 61.9-139.0 -27.2 32.7 21.1 1.8 226 248 A V H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.973 110.0 39.6 -68.7 -52.3 33.7 24.4 0.1 227 249 A A H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 114.3 53.4 -68.3 -40.0 30.4 26.2 0.4 228 250 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.957 110.6 48.9 -54.1 -46.4 29.8 25.0 3.9 229 251 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.920 111.0 48.9 -58.9 -45.5 33.2 26.3 5.0 230 252 A A H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 110.8 51.1 -65.0 -39.8 32.6 29.7 3.4 231 253 A A H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.918 110.7 48.5 -60.7 -46.4 29.2 30.0 5.1 232 254 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.915 110.9 49.9 -61.6 -41.4 30.7 29.2 8.4 233 255 A I H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.888 105.7 56.4 -71.2 -30.3 33.5 31.7 8.0 234 256 A E H X S+ 0 0 34 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.933 111.7 44.7 -60.6 -41.6 31.0 34.4 7.0 235 257 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.946 114.5 46.8 -65.7 -48.6 29.3 33.7 10.4 236 258 A A H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.893 111.5 52.7 -62.9 -39.7 32.6 33.6 12.3 237 259 A E H X S+ 0 0 24 -4,-3.1 4,-2.6 1,-0.2 6,-0.3 0.875 103.8 55.8 -64.4 -40.8 33.8 36.8 10.6 238 260 A S H <>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.2 6,-0.6 0.893 112.7 43.2 -59.5 -40.0 30.6 38.7 11.5 239 261 A Y H ><5S+ 0 0 34 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.962 115.4 46.9 -64.1 -55.8 31.2 37.8 15.2 240 262 A L H 3<5S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.832 121.4 35.6 -62.2 -36.2 34.9 38.6 15.1 241 263 A K T 3<5S- 0 0 110 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.313 104.4-122.4-101.3 5.1 34.6 41.9 13.3 242 264 A D T < 5 + 0 0 67 -3,-1.1 -3,-0.2 -4,-0.4 29,-0.1 0.915 55.5 154.7 52.2 49.2 31.3 43.1 14.9 243 265 A L < - 0 0 81 -5,-2.0 28,-0.2 -6,-0.3 -4,-0.1 0.793 40.9-145.6 -76.9 -25.6 29.7 43.4 11.5 244 266 A K + 0 0 94 26,-1.4 27,-0.2 -6,-0.6 2,-0.1 0.823 32.4 174.6 58.6 36.4 26.2 42.9 12.7 245 267 A K E - H 0 270A 54 25,-0.8 25,-2.3 -10,-0.1 2,-0.7 -0.445 36.7-120.6 -66.1 145.9 25.2 41.0 9.6 246 268 A V E + H 0 269A 85 23,-0.2 2,-0.3 -2,-0.1 23,-0.2 -0.814 46.8 165.1 -87.3 116.6 21.8 39.5 9.4 247 269 A L E - H 0 268A 11 21,-2.7 21,-2.2 -2,-0.7 2,-0.5 -0.997 38.6-120.1-139.4 136.0 22.5 35.7 8.8 248 270 A I E + H 0 267A 12 -2,-0.3 -106,-1.3 19,-0.3 -108,-0.5 -0.719 49.0 151.6 -84.6 122.4 20.1 32.7 9.1 249 271 A C E - H 0 266A 0 17,-2.1 17,-2.1 -2,-0.5 2,-0.4 -0.934 51.5 -91.3-142.7 162.5 21.4 30.3 11.7 250 272 A S E +FH 138 265A 1 -112,-2.3 -112,-1.8 -2,-0.3 2,-0.3 -0.674 56.4 160.5 -77.4 128.4 20.2 27.7 14.2 251 273 A T E - H 0 264A 4 13,-2.1 13,-2.0 -2,-0.4 2,-0.4 -0.941 46.8 -79.2-148.5 159.1 19.5 29.4 17.5 252 274 A L E - H 0 263A 26 -119,-0.4 2,-0.3 -116,-0.3 11,-0.2 -0.502 43.6-145.7 -66.0 121.7 17.6 28.8 20.8 253 275 A L E - 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H 0 251A 0 -13,-2.0 -13,-2.1 -2,-0.4 2,-0.3 -0.984 41.9 -83.6-156.8 166.8 15.8 26.2 14.8 265 288 A G E +GH 169 250A 5 -96,-1.2 -96,-2.5 -2,-0.3 -15,-0.2 -0.518 57.4 137.8 -78.5 126.1 16.8 28.2 11.8 266 289 A T E - H 0 249A 0 -17,-2.1 -17,-2.1 -2,-0.3 14,-0.1 -0.968 58.5 -83.0-157.8 153.5 15.9 31.9 11.8 267 290 A P E + H 0 248A 1 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.417 52.6 174.0 -58.7 133.4 17.6 35.2 10.8 268 291 A V E -IH 278 247A 0 -21,-2.2 -21,-2.7 10,-0.2 2,-0.5 -0.899 32.5-118.1-130.9 166.2 19.8 36.5 13.6 269 292 A V E -IH 277 246A 7 8,-2.2 7,-2.8 -2,-0.3 8,-0.8 -0.946 28.0-157.4-107.7 127.3 22.2 39.4 13.9 270 293 A L E +IH 275 245A 0 -25,-2.3 -26,-1.4 -2,-0.5 -25,-0.8 -0.905 31.7 124.9-111.8 119.1 25.8 38.4 14.6 271 294 A G E > S-I 274 0A 0 3,-2.3 3,-2.2 -2,-0.5 -32,-0.1 -0.720 73.7 -48.8-146.3-153.1 28.2 40.8 16.2 272 295 A A T 3 S+ 0 0 49 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.692 130.9 52.0 -64.9 -22.5 30.6 41.2 19.1 273 296 A N T 3 S- 0 0 108 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.186 110.9-123.6 -96.0 17.0 28.0 40.0 21.7 274 297 A G E < S+I 271 0A 0 -3,-2.2 -3,-2.3 -35,-0.1 2,-1.1 -0.694 88.6 19.4 82.6-127.5 27.3 36.9 19.6 275 298 A V E S+I 270 0A 15 -141,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.673 71.9 174.9 -75.2 100.7 23.6 36.6 18.7 276 299 A E E + 0 0 51 -7,-2.8 2,-0.3 -2,-1.1 -1,-0.2 0.807 65.4 8.3 -80.9 -27.1 22.6 40.3 19.2 277 301 A Q E -I 269 0A 111 -8,-0.8 -8,-2.2 -3,-0.1 2,-0.5 -0.983 60.0-145.4-153.2 137.5 19.1 39.9 18.0 278 302 A V E -I 268 0A 45 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.969 24.1-149.7-101.9 123.6 16.8 37.0 17.0 279 303 A I - 0 0 54 -12,-2.5 2,-0.7 -2,-0.5 -2,-0.0 -0.841 4.5-156.3-100.9 123.6 14.6 38.1 14.2 280 304 A E - 0 0 98 -2,-0.6 2,-0.2 -14,-0.1 -14,-0.1 -0.892 14.0-137.8-101.9 113.5 11.2 36.4 14.0 281 305 A L - 0 0 16 -2,-0.7 2,-2.1 1,-0.1 -24,-0.1 -0.482 20.0-119.9 -67.3 139.3 9.7 36.5 10.5 282 306 A Q - 0 0 177 -2,-0.2 -1,-0.1 -25,-0.0 -2,-0.0 -0.491 45.2-172.3 -81.1 70.1 6.0 37.3 10.5 283 307 A L - 0 0 31 -2,-2.1 2,-0.1 1,-0.1 -26,-0.0 -0.324 18.4-127.9 -65.4 143.9 5.1 34.0 8.9 284 308 A N > - 0 0 62 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.275 37.1 -92.8 -80.3 177.1 1.5 33.3 7.7 285 309 A S H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 125.2 51.7 -68.4 -32.9 -0.3 30.2 8.9 286 310 A E H > S+ 0 0 135 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.920 112.9 45.4 -68.4 -39.2 0.7 28.1 5.8 287 311 A E H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.889 110.5 55.2 -70.2 -38.3 4.4 29.0 6.3 288 312 A K H X S+ 0 0 70 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.882 102.1 56.6 -63.2 -38.6 4.1 28.3 10.1 289 313 A A H X S+ 0 0 48 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.888 107.9 47.4 -61.2 -38.9 2.8 24.8 9.4 290 314 A K H X S+ 0 0 117 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.903 110.5 52.5 -66.5 -39.9 6.0 24.1 7.4 291 315 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 107.0 53.8 -59.4 -44.1 8.1 25.6 10.2 292 316 A D H X S+ 0 0 53 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.870 104.9 53.0 -60.9 -40.4 6.3 23.2 12.6 293 317 A E H X S+ 0 0 98 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.869 108.6 51.1 -61.4 -38.5 7.1 20.2 10.5 294 318 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.941 111.7 46.2 -64.2 -47.4 10.8 21.2 10.6 295 319 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.903 108.1 57.0 -62.5 -41.2 10.8 21.5 14.4 296 320 A A H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.890 107.4 48.9 -58.1 -40.0 8.9 18.2 14.8 297 321 A E H X S+ 0 0 52 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.897 109.0 51.3 -68.9 -42.1 11.7 16.4 13.0 298 322 A T H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 48.7 -57.1 -47.2 14.4 18.0 15.1 299 323 A K H X S+ 0 0 95 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.884 108.0 53.8 -60.3 -41.3 12.5 16.9 18.2 300 324 A R H X S+ 0 0 100 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.938 114.0 41.5 -58.9 -48.6 12.2 13.3 16.9 301 325 A M H X S+ 0 0 28 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.869 108.8 58.8 -70.2 -34.5 15.9 13.1 16.3 302 326 A K H X S+ 0 0 34 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.909 104.1 53.3 -61.8 -36.6 16.8 14.8 19.6 303 327 A A H >< S+ 0 0 67 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.860 108.5 48.7 -68.2 -35.5 14.9 12.1 21.4 304 328 A L H 3< S+ 0 0 78 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.698 102.0 66.3 -72.6 -22.4 16.8 9.3 19.7 305 329 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.752 84.8 72.0 -72.7 -22.5 20.2 11.0 20.5 306 330 A H S << S+ 0 0 100 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.2 0.882 102.8 24.2 -69.9 -40.5 20.0 10.6 24.3 307 331 A A 0 0 73 -4,-0.4 -1,-0.1 -3,-0.3 -217,-0.1 -0.934 360.0 360.0-132.7 148.7 20.6 6.9 24.7 308 332 A H 0 0 167 -2,-0.3 -1,-0.1 -219,-0.1 -2,-0.0 -0.049 360.0 360.0 -54.2 360.0 22.3 4.2 22.6