==== 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 15-MAR-04 1SOW . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR K.L.KAVANAGH,D.K.WILSON . 645 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 9.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 54 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 2 0 0 0 0 0 2 2 0 2 4 0 2 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 . 4 8 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 0 0 0 0 2 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 16 A T 0 0 133 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.5 19.6 56.2 35.5 2 17 A V + 0 0 159 1,-0.2 2,-0.7 2,-0.0 0, 0.0 0.937 360.0 41.2 -71.3 -49.2 22.0 54.2 33.3 3 18 A S S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.886 77.4-169.4-106.8 109.0 25.1 56.0 34.7 4 19 A R - 0 0 187 -2,-0.7 3,-0.1 -3,-0.2 2,-0.1 -0.689 25.1-108.6 -98.6 150.9 25.1 56.6 38.4 5 20 A R - 0 0 105 -2,-0.3 25,-0.1 1,-0.1 -1,-0.1 -0.378 39.5-100.8 -71.4 154.4 27.6 58.8 40.3 6 21 A K - 0 0 84 23,-0.3 25,-2.7 -2,-0.1 2,-0.4 -0.289 38.5-140.3 -66.5 160.5 30.1 57.1 42.6 7 22 A K E -a 31 0A 46 23,-0.2 68,-2.5 66,-0.2 69,-1.7 -0.994 17.1-172.6-132.8 128.5 29.1 57.2 46.2 8 23 A I E -ab 32 76A 0 23,-2.7 25,-1.9 -2,-0.4 2,-0.5 -0.983 10.0-154.1-123.1 130.1 31.4 57.8 49.2 9 24 A A E -ab 33 77A 0 67,-2.6 69,-2.6 -2,-0.4 2,-0.8 -0.902 3.9-154.6-104.9 124.3 30.3 57.5 52.8 10 25 A M E -ab 34 78A 0 23,-3.1 25,-2.6 -2,-0.5 2,-1.3 -0.879 6.6-160.3 -97.8 105.1 32.2 59.5 55.4 11 26 A I E S+ab 35 79A 1 67,-2.1 69,-2.1 -2,-0.8 70,-1.7 -0.737 78.0 34.5 -88.3 95.1 31.7 57.6 58.7 12 27 A G - 0 0 5 23,-2.6 24,-0.2 -2,-1.3 23,-0.2 0.137 69.4-156.9 121.7 115.8 32.6 60.4 61.0 13 28 A S + 0 0 0 21,-0.1 32,-0.1 4,-0.1 23,-0.1 -0.150 54.4 111.7-116.1 36.1 31.5 64.0 60.0 14 29 A G S > S- 0 0 26 4,-0.0 4,-2.7 31,-0.0 5,-0.3 0.272 90.9 -48.4 -84.0-145.7 34.0 65.9 62.1 15 30 A M H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.923 140.1 35.8 -59.9 -51.1 36.9 68.0 60.8 16 31 A I H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.944 118.0 52.3 -69.9 -46.7 38.4 65.4 58.4 17 32 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 111.6 45.1 -55.6 -46.7 35.0 64.0 57.4 18 33 A G H X S+ 0 0 8 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.872 112.1 52.0 -66.3 -34.7 33.5 67.4 56.5 19 35 A T H X S+ 0 0 20 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.833 107.7 52.0 -71.4 -33.8 36.7 68.4 54.6 20 36 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.873 107.6 52.2 -69.9 -35.2 36.6 65.2 52.5 21 37 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.899 108.8 51.7 -64.7 -39.3 33.0 66.0 51.7 22 38 A Y H X S+ 0 0 113 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.917 106.8 52.2 -62.2 -44.7 34.2 69.4 50.6 23 39 A L H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 6,-0.3 0.882 107.0 53.9 -60.0 -36.2 36.9 67.9 48.3 24 40 A C H X>S+ 0 0 0 -4,-1.9 5,-1.6 2,-0.2 4,-0.9 0.863 109.4 48.3 -65.3 -35.9 34.2 65.7 46.7 25 41 A V H <5S+ 0 0 0 -4,-1.6 3,-0.4 3,-0.2 -2,-0.2 0.948 112.3 47.6 -68.0 -48.6 32.2 68.8 46.0 26 42 A L H <5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 123.0 33.3 -61.2 -42.2 35.2 70.7 44.5 27 43 A R H <5S- 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.502 100.1-129.8 -91.7 -6.1 36.3 67.7 42.3 28 44 A E T <5 + 0 0 105 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.915 57.2 150.8 53.9 44.2 32.7 66.4 41.6 29 45 A L < - 0 0 22 -5,-1.6 -23,-0.3 -6,-0.3 2,-0.3 0.847 56.8 -33.5 -76.2 -36.0 34.2 63.1 42.7 30 46 A A - 0 0 2 -6,-0.4 -1,-0.2 -9,-0.1 -23,-0.2 -0.969 66.9 -78.8-176.6 162.0 31.1 61.4 44.2 31 47 A D E -a 7 0A 30 -25,-2.7 -23,-2.7 -2,-0.3 2,-0.4 -0.482 53.5-138.8 -69.6 150.2 27.9 61.9 46.1 32 49 A V E -ac 8 62A 1 29,-3.2 31,-2.4 -25,-0.2 2,-0.6 -0.950 20.2-167.1-123.6 133.1 28.6 62.2 49.8 33 50 A V E -ac 9 63A 9 -25,-1.9 -23,-3.1 -2,-0.4 2,-1.0 -0.981 12.8-156.2-115.2 116.4 26.9 60.9 52.9 34 51 A L E -ac 10 64A 0 29,-3.2 31,-2.0 -2,-0.6 2,-0.3 -0.823 21.7-172.9 -94.8 99.3 28.2 62.6 56.0 35 52 A F E +ac 11 65A 5 -25,-2.6 -23,-2.6 -2,-1.0 2,-0.3 -0.700 15.7 142.4 -97.7 146.5 27.5 60.0 58.7 36 53 A D - 0 0 23 29,-1.7 -2,-0.0 -2,-0.3 -25,-0.0 -0.976 56.1-121.3-170.5 161.9 27.8 60.5 62.4 37 54 A V S S+ 0 0 103 -2,-0.3 2,-0.3 2,-0.1 29,-0.1 0.676 94.7 87.8 -83.8 -19.3 26.2 59.6 65.8 38 55 A V S S- 0 0 66 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.612 70.3-153.4 -79.1 134.1 25.9 63.3 66.3 39 56 A T S S+ 0 0 109 -2,-0.3 2,-1.3 2,-0.1 -2,-0.1 -0.768 71.1 24.8-104.9 155.7 22.7 64.8 65.0 40 57 A G S > S+ 0 0 45 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.608 110.3 64.2 96.8 -76.4 22.5 68.4 63.9 41 58 A M H > S+ 0 0 72 -2,-1.3 4,-2.1 1,-0.2 5,-0.2 0.863 100.5 51.6 -52.7 -45.4 26.1 69.1 63.2 42 59 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 109.2 51.0 -62.9 -35.9 26.4 66.7 60.2 43 60 A E H > S+ 0 0 82 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.844 107.8 54.0 -68.6 -31.0 23.3 68.2 58.6 44 61 A G H X S+ 0 0 36 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.923 110.9 44.0 -68.1 -44.5 24.9 71.6 59.0 45 62 A K H X S+ 0 0 47 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.871 111.6 54.9 -66.3 -35.8 28.0 70.5 57.2 46 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.920 109.9 46.2 -63.7 -43.7 25.9 68.8 54.6 47 64 A L H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.938 115.4 46.7 -63.0 -44.9 24.0 72.0 53.9 48 65 A D H X S+ 0 0 107 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.950 116.6 43.4 -62.0 -50.6 27.3 74.0 53.8 49 66 A D H X S+ 0 0 11 -4,-3.5 4,-0.8 1,-0.2 3,-0.2 0.915 113.3 50.4 -63.7 -44.5 29.0 71.5 51.5 50 67 A S H >X S+ 0 0 37 -4,-2.9 3,-0.8 -5,-0.3 4,-0.5 0.887 108.4 53.9 -63.6 -34.2 25.9 71.1 49.2 51 68 A Q H >X S+ 0 0 110 -4,-2.1 3,-1.0 -5,-0.3 4,-0.7 0.847 99.5 63.1 -68.9 -28.8 25.7 74.9 48.9 52 69 A A H 3X S+ 0 0 15 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.775 87.1 72.1 -65.6 -25.9 29.3 75.0 47.8 53 70 A T H S+ 0 0 16 -4,-0.8 5,-2.0 -3,-0.8 4,-1.2 0.868 91.6 58.5 -59.1 -33.6 28.4 72.9 44.7 54 71 A S H <<5S+ 0 0 86 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.928 110.9 39.6 -60.6 -45.5 26.7 76.0 43.3 55 72 A I H <5S+ 0 0 148 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.847 116.4 50.4 -73.2 -34.0 29.9 78.1 43.4 56 73AA A H <5S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.649 104.9-134.8 -75.4 -13.8 32.0 75.2 42.3 57 73BA D T <5 + 0 0 135 -4,-1.2 2,-0.2 -5,-0.2 -3,-0.2 0.839 64.3 124.0 58.4 34.3 29.5 74.7 39.4 58 74 A T < - 0 0 24 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.2 -0.692 55.7-138.2-113.7 171.5 29.5 71.0 40.1 59 75 A N + 0 0 100 -2,-0.2 2,-0.3 -3,-0.1 -28,-0.0 -0.808 41.5 131.3-138.4 96.3 26.7 68.6 40.9 60 76 A V - 0 0 7 -2,-0.4 2,-0.5 -10,-0.1 -29,-0.1 -0.951 53.3-113.6-132.5 156.7 27.0 65.9 43.6 61 77 A S - 0 0 51 -2,-0.3 -29,-3.2 -8,-0.0 2,-0.5 -0.814 27.4-171.5 -94.5 127.8 24.6 65.2 46.4 62 78 A V E +c 32 0A 11 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.971 17.8 156.9-119.6 117.8 25.7 65.8 49.9 63 79 A T E -c 33 0A 67 -31,-2.4 -29,-3.2 -2,-0.5 2,-0.3 -0.839 31.7-128.7-131.4 169.7 23.4 64.6 52.7 64 80 A S E +c 34 0A 33 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.806 25.5 175.8-116.6 163.1 23.9 63.7 56.4 65 81 A A E -c 35 0A 10 -31,-2.0 -29,-1.7 -2,-0.3 3,-0.1 -0.987 29.7-171.7-161.1 156.2 22.8 60.5 58.2 66 83 A N S S+ 0 0 77 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.260 74.0 80.3-133.5 7.7 22.9 58.8 61.5 67 84 A Q S > S- 0 0 92 1,-0.1 3,-2.1 46,-0.0 4,-0.1 -0.970 73.9-139.7-117.8 127.0 21.5 55.4 60.4 68 85 A Y G > S+ 0 0 36 -2,-0.5 3,-2.5 1,-0.3 4,-0.2 0.725 96.4 75.7 -58.5 -26.2 23.7 52.9 58.7 69 86 A E G > S+ 0 0 96 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.792 86.9 68.9 -56.9 -22.9 21.1 51.9 56.2 70 87 A K G < S+ 0 0 90 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.660 90.4 57.6 -69.8 -18.0 22.0 55.3 54.6 71 88 A I G X S+ 0 0 0 -3,-2.5 3,-1.6 -4,-0.1 -1,-0.2 0.317 75.0 129.8 -97.0 11.8 25.5 54.1 53.5 72 89 A A T < S+ 0 0 42 -3,-1.2 46,-0.2 1,-0.3 3,-0.1 -0.370 70.8 24.5 -63.9 139.8 24.1 51.3 51.4 73 90 A G T 3 S+ 0 0 57 44,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.556 83.3 154.8 83.7 6.3 25.6 51.3 47.9 74 91 A S < - 0 0 6 -3,-1.6 -1,-0.3 1,-0.2 -66,-0.2 -0.520 32.7-162.9 -70.7 132.9 28.7 53.2 49.0 75 92 A D S S+ 0 0 57 -68,-2.5 47,-2.5 1,-0.3 2,-0.4 0.839 80.7 21.1 -81.4 -35.7 31.6 52.5 46.6 76 93 A V E -bd 8 122A 0 -69,-1.7 -67,-2.6 45,-0.3 2,-0.4 -0.982 64.9-163.0-135.4 144.7 34.0 53.8 49.2 77 94 A V E -bd 9 123A 0 45,-2.3 47,-2.8 -2,-0.4 2,-0.5 -0.999 6.4-165.8-127.4 125.8 33.8 54.3 53.0 78 95 A I E -bd 10 124A 0 -69,-2.6 -67,-2.1 -2,-0.4 2,-0.7 -0.972 11.2-151.6-118.0 121.4 36.3 56.6 54.7 79 96 A I E +bd 11 125A 0 45,-2.6 47,-3.0 -2,-0.5 48,-1.8 -0.818 38.9 144.5-105.3 112.4 36.4 56.2 58.5 80 97 A T + 0 0 23 -69,-2.1 -68,-0.2 -2,-0.7 48,-0.2 0.326 32.1 135.0-117.4 -1.2 37.3 59.1 60.8 81 98 A A + 0 0 17 -70,-1.7 2,-0.3 -69,-0.1 -69,-0.1 -0.294 45.4 66.4 -52.3 124.2 34.9 58.1 63.6 82 99 A G S S- 0 0 33 24,-0.1 2,-0.3 45,-0.1 21,-0.1 -0.873 84.9 -60.6 150.0 178.4 36.8 58.4 66.9 83 100 A L - 0 0 66 -2,-0.3 45,-0.3 45,-0.2 3,-0.1 -0.683 24.8-153.9 -93.9 151.0 38.5 60.7 69.4 84 101 A T S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.562 80.2 8.1 -97.1 -13.8 41.5 62.8 68.4 85 102 A K S S- 0 0 65 9,-0.1 -1,-0.2 14,-0.1 9,-0.1 -0.982 86.9 -87.8-159.4 162.5 42.8 62.8 72.0 86 103AA V > - 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0 0 14 4,-0.3 2,-1.8 123,-0.2 6,-0.1 -0.378 67.5-113.0 -72.7 147.9 53.5 52.4 61.8 183 195 A H S S+ 0 0 19 4,-0.1 2,-0.3 3,-0.1 -53,-0.2 -0.616 87.7 66.4 -80.4 84.5 51.9 55.9 61.9 184 196 A G S > S- 0 0 11 -2,-1.8 3,-2.4 -55,-0.1 42,-0.0 -0.940 107.2 -44.8-174.5-167.0 53.6 57.0 65.1 185 197 A D T 3 S+ 0 0 118 1,-0.3 38,-0.1 -2,-0.3 123,-0.1 0.703 130.3 51.8 -54.2 -24.4 57.0 57.9 66.6 186 198 A H T 3 S+ 0 0 82 122,-0.1 -1,-0.3 121,-0.1 -4,-0.3 0.154 76.3 134.5-101.3 17.7 58.6 54.9 65.0 187 199 A M < - 0 0 3 -3,-2.4 -6,-0.2 -6,-0.2 -4,-0.1 -0.281 55.8-126.1 -58.6 155.8 57.4 55.6 61.5 188 200 A L E -K 180 0C 19 -8,-3.3 -8,-2.1 -6,-0.1 2,-0.7 -0.855 16.1-161.7-118.2 100.2 60.3 55.2 59.0 189 201 A P E -K 179 0C 5 0, 0.0 2,-2.0 0, 0.0 -10,-0.3 -0.682 25.6-135.3 -74.8 112.8 61.1 58.1 56.6 190 202 A L > + 0 0 1 -12,-3.2 3,-1.3 -2,-0.7 -12,-0.4 -0.470 31.5 173.8 -76.8 81.0 63.2 56.3 54.0 191 203 A A G > S+ 0 0 36 -2,-2.0 3,-1.4 1,-0.3 10,-0.2 0.839 75.6 57.3 -54.8 -38.3 66.0 58.7 53.5 192 204 A R G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.2 10,-0.2 0.782 106.6 50.6 -67.9 -24.4 67.9 56.4 51.2 193 205 A Y G < S+ 0 0 5 -3,-1.3 2,-0.4 -15,-0.2 -1,-0.3 0.321 79.1 120.9 -95.4 7.5 65.0 56.3 48.8 194 206 A V < + 0 0 1 -3,-1.4 7,-2.5 -4,-0.3 2,-0.3 -0.591 39.7 175.3 -74.8 128.2 64.4 60.0 48.5 195 207 A T E -IJ 176 200B 6 -19,-2.2 -19,-2.6 -2,-0.4 2,-0.7 -0.931 37.0-138.2-133.4 157.3 64.7 61.2 45.0 196 208 A V E > S-IJ 175 199B 0 3,-2.5 3,-2.4 -2,-0.3 -21,-0.2 -0.966 99.6 -28.4-110.5 105.2 64.3 64.4 42.9 197 209AA N T 3 S- 0 0 12 -23,-1.9 -1,-0.2 -2,-0.7 -22,-0.1 0.892 129.0 -46.2 48.4 46.9 62.4 63.0 39.8 198 209BA G T 3 S+ 0 0 2 1,-0.2 -1,-0.3 -24,-0.1 322,-0.1 0.292 112.4 122.9 83.2 -10.5 64.2 59.7 40.4 199 209CA F E < S-J 196 0B 0 -3,-2.4 -3,-2.5 1,-0.1 -1,-0.2 -0.744 72.3-107.3 -86.1 123.4 67.6 61.2 41.0 200 209DA P E >> -J 195 0B 49 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.184 14.2-133.8 -53.7 135.4 69.0 60.2 44.4 201 210AA L H >> S+ 0 0 5 -7,-2.5 4,-2.4 1,-0.3 3,-0.8 0.832 102.3 73.5 -56.4 -32.2 69.0 62.9 47.0 202 210BA R H 3> S+ 0 0 104 -8,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.841 91.7 54.9 -52.3 -35.9 72.6 61.8 47.8 203 211 A E H <> S+ 0 0 20 -3,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.868 108.1 48.8 -68.6 -33.5 73.7 63.4 44.6 204 212 A F H <<>S+ 0 0 10 -3,-0.8 5,-2.6 -4,-0.8 6,-0.5 0.897 109.9 51.4 -71.4 -39.3 72.1 66.7 45.7 205 213 A I H ><5S+ 0 0 21 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.928 108.2 51.0 -63.1 -44.6 73.8 66.5 49.1 206 214 A K H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.7 54.1 -63.8 -27.0 77.2 65.9 47.6 207 215 A K T 3<5S- 0 0 120 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.386 121.0-113.0 -85.7 4.1 76.6 69.0 45.4 208 216 A G T < 5S+ 0 0 60 -3,-2.1 -3,-0.2 2,-0.3 3,-0.1 0.750 81.8 125.0 73.3 25.5 75.9 71.0 48.6 209 218 A K S - 0 0 83 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.637 24.3-116.8 -99.2 160.2 73.5 68.8 54.2 212 221 A E H > S+ 0 0 90 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.862 118.5 54.7 -60.3 -33.2 73.4 65.5 55.9 213 222 A A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 105.8 50.0 -68.2 -41.8 72.4 67.4 59.1 214 223 A K H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.4 52.7 -63.0 -40.6 69.5 69.0 57.4 215 225 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.942 109.2 47.9 -59.2 -47.2 68.3 65.7 56.1 216 226 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.902 111.1 52.5 -59.5 -41.0 68.4 64.2 59.6 217 227 A E H X S+ 0 0 104 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 108.5 49.8 -61.4 -43.1 66.5 67.2 60.9 218 228 A I H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.873 107.4 54.1 -65.5 -35.7 63.9 66.7 58.2 219 229 A V H X S+ 0 0 22 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.900 111.9 44.9 -65.3 -38.6 63.5 63.0 59.1 220 230 A E H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.898 111.2 52.5 -71.4 -41.0 62.9 64.0 62.8 221 231 A R H X S+ 0 0 139 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.889 104.9 56.5 -63.4 -36.1 60.5 66.8 61.8 222 232 A T H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 3,-0.4 0.917 107.7 48.8 -61.3 -40.4 58.5 64.3 59.7 223 233 A K H < S+ 0 0 57 -4,-1.3 3,-0.4 1,-0.2 4,-0.3 0.910 117.3 39.7 -66.1 -41.7 58.0 62.1 62.8 224 234 A K H X S+ 0 0 118 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.463 86.5 100.8 -87.5 -5.2 56.9 65.0 65.1 225 235 A A H X S+ 0 0 10 -4,-1.1 4,-2.1 -3,-0.4 5,-0.2 0.879 80.4 49.7 -49.9 -48.9 54.8 66.8 62.5 226 236 A G H > S+ 0 0 5 -4,-0.4 4,-1.9 -3,-0.4 12,-0.3 0.906 113.1 47.1 -60.2 -40.5 51.4 65.5 63.7 227 237 A G H > S+ 0 0 27 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.825 107.6 55.8 -71.0 -32.1 52.2 66.5 67.3 228 238 A E H X S+ 0 0 88 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.933 109.2 46.9 -65.1 -45.3 53.5 69.9 66.3 229 239 A I H X S+ 0 0 58 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.890 111.4 51.8 -64.5 -37.5 50.1 70.7 64.6 230 240 A V H X S+ 0 0 6 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.929 112.0 47.4 -63.5 -43.1 48.3 69.3 67.7 231 241 A R H < S+ 0 0 135 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.8 42.8 -62.2 -46.0 50.4 71.6 69.9 232 242AA L H < S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.2 50.1 -72.9 -39.2 49.8 74.6 67.7 233 242BA L H < S- 0 0 84 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.879 81.0-158.7 -69.1 -35.2 46.1 74.2 67.0 234 242CA G S < S+ 0 0 33 -4,-1.6 2,-0.2 -5,-0.3 -1,-0.1 0.534 73.8 66.3 69.0 2.5 45.2 73.7 70.6 235 243 A Q S S- 0 0 147 1,-0.4 2,-0.1 -5,-0.2 -4,-0.0 -0.714 109.4 -36.4-157.5 101.4 42.0 72.0 69.5 236 244 A G S S- 0 0 21 -2,-0.2 -1,-0.4 -6,-0.0 2,-0.2 -0.307 76.4 -82.4 79.8-166.4 42.0 68.7 67.6 237 245 A S - 0 0 29 1,-0.2 -10,-0.1 -4,-0.1 -11,-0.1 -0.659 60.6 -44.4-130.1-175.7 44.5 67.6 65.1 238 246 A A + 0 0 18 -12,-0.3 -1,-0.2 -2,-0.2 -222,-0.1 -0.084 50.7 157.1 -53.0 145.9 45.4 68.0 61.4 239 247 A Y > + 0 0 53 -224,-0.1 4,-2.2 3,-0.1 5,-0.2 0.542 57.8 65.7-143.4 -26.8 42.6 67.7 58.9 240 248 A Y H > S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.970 113.3 33.4 -67.5 -52.9 43.4 69.5 55.6 241 249 A A H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.893 119.4 53.1 -70.4 -40.0 46.3 67.2 54.5 242 250 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.951 110.3 48.0 -60.3 -46.2 44.7 64.1 56.1 243 251 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 113.5 45.9 -58.6 -47.0 41.5 64.7 54.2 244 252 A L H X S+ 0 0 73 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.875 110.9 54.3 -66.5 -35.4 43.2 65.2 50.9 245 253 A S H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.942 112.0 43.3 -62.2 -47.0 45.4 62.1 51.5 246 254 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.870 114.2 49.7 -66.6 -38.8 42.4 60.0 52.1 247 255 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.851 106.9 55.1 -71.3 -32.9 40.5 61.4 49.2 248 256 A T H X S+ 0 0 26 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.892 110.4 47.2 -65.6 -37.3 43.5 60.9 46.9 249 257 A M H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.938 112.4 49.3 -67.5 -45.2 43.4 57.2 48.0 250 258 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.910 111.0 49.5 -60.4 -43.5 39.7 57.0 47.4 251 259 A Q H X S+ 0 0 35 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.887 104.7 57.7 -63.6 -39.9 40.0 58.6 43.9 252 260 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 6,-0.6 0.862 113.2 41.8 -58.4 -36.4 42.8 56.1 42.9 253 261 A F H ><5S+ 0 0 28 -4,-1.5 3,-1.2 3,-0.2 -2,-0.2 0.955 115.2 48.2 -74.1 -53.2 40.3 53.3 43.7 254 262 A L H 3<5S+ 0 0 13 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.870 122.7 33.0 -56.4 -41.9 37.3 54.9 42.1 255 263 A K T 3<5S- 0 0 139 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.256 105.1-124.8-100.6 10.2 39.0 55.9 38.9 256 264 A D T < 5 + 0 0 76 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.924 52.5 158.4 46.5 57.9 41.3 52.8 38.9 257 265 A E < - 0 0 50 -5,-2.2 28,-0.2 -6,-0.2 -4,-0.1 0.751 41.6-139.0 -82.7 -26.5 44.4 55.1 38.7 258 266 A K + 0 0 46 26,-0.9 237,-2.8 -6,-0.6 2,-0.3 0.944 35.9 176.0 64.2 54.6 46.9 52.6 40.0 259 267 A R E -L 284 0D 46 25,-1.7 25,-2.7 235,-0.2 2,-0.9 -0.647 37.4-119.9 -91.1 147.2 48.8 55.2 42.2 260 268 A V E +L 283 0D 4 -2,-0.3 23,-0.2 23,-0.2 -1,-0.0 -0.794 47.4 159.9 -86.5 106.5 51.6 54.4 44.5 261 269 A L - 0 0 7 21,-2.2 -107,-0.1 -2,-0.9 19,-0.1 -0.872 37.1-134.8-134.6 98.6 50.2 55.6 47.8 262 270 A P + 0 0 6 0, 0.0 -108,-0.5 0, 0.0 -110,-0.4 -0.279 43.9 150.1 -54.2 130.6 51.9 54.1 50.9 263 271 A C E - H 0 280A 0 17,-2.0 17,-2.2 -110,-0.2 2,-0.6 -0.963 54.7 -75.0-157.3 169.4 49.2 53.0 53.3 264 272 A S E +FH 150 279A 1 -114,-2.7 -114,-1.6 -2,-0.3 15,-0.3 -0.621 60.7 173.6 -77.3 113.7 48.5 50.4 56.0 265 273 A V E - H 0 278A 2 13,-2.1 13,-1.5 -2,-0.6 2,-0.3 -0.817 37.1 -90.7-123.4 162.2 47.9 47.1 54.3 266 274 A Y E - H 0 277A 35 -121,-0.5 2,-0.4 -118,-0.4 11,-0.2 -0.541 42.0-145.8 -72.9 128.7 47.3 43.5 55.2 267 275 A C E + H 0 276A 0 9,-2.9 8,-0.9 -2,-0.3 9,-0.5 -0.803 30.0 164.8-102.7 136.0 50.5 41.4 55.3 268 276 A Q E S- H 0 274A 114 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.535 87.9 -33.7-143.3 66.7 51.0 37.8 54.4 269 277 A G S > S+ 0 0 28 4,-3.7 3,-2.7 1,-0.4 5,-0.1 0.002 95.4 132.4 108.3 -28.6 54.8 37.4 54.1 270 278 A E G > S- 0 0 30 1,-0.3 3,-2.3 3,-0.2 -1,-0.4 -0.374 91.2 -0.2 -59.5 130.9 55.8 40.8 52.8 271 279 A Y G 3 S- 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.766 129.0 -73.7 58.8 22.8 58.7 42.1 54.9 272 280 A G G < S+ 0 0 58 -3,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.676 99.0 139.8 65.6 19.9 58.2 38.8 56.7 273 281 A L < - 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0 0 13 -12,-2.5 2,-0.8 -2,-0.5 -413,-0.0 -0.682 9.6-158.7 -83.1 125.5 71.0 69.2 37.5 618 304 B E - 0 0 66 -2,-0.5 2,-0.1 -14,-0.1 -14,-0.0 -0.876 14.8-155.3-107.7 100.5 74.4 67.5 36.8 619 305 B L - 0 0 7 -2,-0.8 2,-1.7 1,-0.1 -24,-0.1 -0.423 23.7-114.5 -74.8 149.4 74.0 63.8 37.3 620 306 B E - 0 0 100 -2,-0.1 2,-0.1 -25,-0.0 -1,-0.1 -0.634 44.6-166.4 -82.8 82.4 76.9 61.5 38.3 621 307 B L - 0 0 18 -2,-1.7 2,-0.0 1,-0.1 -3,-0.0 -0.432 17.1-119.9 -72.9 147.5 76.8 59.5 35.0 622 308 B T > - 0 0 54 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.306 32.2-101.6 -77.8 169.3 78.8 56.2 34.8 623 309 B H H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.922 125.5 51.4 -56.8 -44.3 81.5 55.9 32.2 624 310 B E H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 111.3 45.7 -59.5 -45.9 79.1 53.9 30.0 625 311 B E H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 110.1 55.7 -67.3 -34.9 76.4 56.5 30.3 626 312 B Q H X S+ 0 0 103 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.888 103.9 54.0 -62.7 -40.8 79.0 59.2 29.5 627 313 B E H X S+ 0 0 110 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.907 111.5 44.9 -60.1 -42.7 79.9 57.4 26.3 628 314 B C H X S+ 0 0 58 -4,-1.7 4,-1.4 1,-0.2 3,-0.4 0.929 114.0 49.5 -66.3 -43.8 76.3 57.5 25.3 629 315 B F H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.859 104.1 59.7 -62.9 -36.8 76.0 61.1 26.3 630 316 B R H X S+ 0 0 128 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.859 101.9 53.1 -61.0 -37.6 79.1 62.0 24.4 631 317 B K H X S+ 0 0 113 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.2 0.898 108.3 50.7 -63.9 -40.4 77.5 60.8 21.1 632 318 B S H X S+ 0 0 0 -4,-1.4 4,-1.8 -122,-0.3 -2,-0.2 0.927 112.3 47.3 -60.3 -45.8 74.5 63.0 21.8 633 319 B V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 109.4 52.5 -62.7 -45.6 76.9 65.9 22.4 634 320 B D H X S+ 0 0 82 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.900 107.3 53.6 -59.3 -39.4 78.9 65.1 19.2 635 321 B D H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 111.1 45.0 -60.9 -43.0 75.6 65.2 17.2 636 322 B V H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.933 111.7 51.8 -66.0 -47.4 74.7 68.7 18.6 637 323 B V H X S+ 0 0 54 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.924 109.9 51.5 -55.0 -44.3 78.3 70.0 17.9 638 324 B E H X S+ 0 0 111 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.891 111.6 44.6 -61.8 -44.0 78.0 68.7 14.4 639 325AB L H X S+ 0 0 18 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.896 110.5 54.8 -68.8 -38.9 74.7 70.4 13.7 640 325BB N H X S+ 0 0 20 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.826 108.4 49.7 -64.0 -29.2 75.9 73.6 15.3 641 326 B K H X S+ 0 0 128 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 110.4 49.2 -72.8 -43.4 78.8 73.5 12.9 642 327 B S H < S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.4 51.8 -61.0 -38.7 76.4 73.0 10.0 643 328 B L H < S+ 0 0 7 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.914 107.9 52.1 -63.1 -42.2 74.4 75.9 11.3 644 329 B A H < S+ 0 0 80 -4,-1.8 2,-2.1 1,-0.3 -2,-0.2 0.886 95.0 71.1 -60.9 -40.5 77.6 78.0 11.4 645 330 B A < 0 0 80 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.128 360.0 360.0 -72.3 44.5 78.3 77.1 7.7 646 331 B L 0 0 124 -2,-2.1 -1,-0.2 -3,-0.5 -4,-0.0 -0.558 360.0 360.0-137.5 360.0 75.4 79.3 6.6