==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-AUG-12 4B7U . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.W.BIRKINSHAW,R.L.BRADY . 1232 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 101 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.9 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 4 4 2 2 0 4 0 12 0 0 4 4 0 1 3 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 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 PARALLEL BRIDGES PER LADDER . 8 12 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 0 0 0 4 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 94 0, 0.0 2,-0.2 0, 0.0 864,-0.1 0.000 360.0 360.0 360.0 90.7 -37.7 26.4 -8.2 2 19 A P - 0 0 103 0, 0.0 3,-0.1 0, 0.0 864,-0.1 0.532 360.0 -94.6 -81.1-169.9 -40.4 25.4 -9.0 3 20 A K - 0 0 29 -2,-0.2 25,-0.1 1,-0.1 24,-0.1 -0.266 43.5 -96.5 -67.2 153.2 -41.6 27.2 -12.2 4 21 A A - 0 0 20 23,-0.5 25,-2.4 1,-0.1 2,-0.5 -0.323 33.3-130.5 -60.4 149.6 -43.7 30.3 -12.2 5 22 A K E -a 29 0A 53 66,-0.3 68,-2.9 23,-0.2 69,-1.8 -0.957 22.2-167.8-107.1 122.5 -47.5 29.7 -12.5 6 23 A I E -ab 30 74A 2 23,-3.0 25,-2.5 -2,-0.5 2,-0.6 -0.953 2.1-163.0-115.3 117.0 -49.0 32.0 -15.2 7 24 A V E -ab 31 75A 2 67,-2.7 69,-2.5 -2,-0.5 2,-0.9 -0.890 6.1-154.9-105.6 121.4 -52.8 32.2 -15.3 8 25 A L E -ab 32 76A 0 23,-3.2 25,-2.6 -2,-0.6 2,-1.2 -0.843 5.3-157.8 -95.9 104.3 -54.4 33.6 -18.4 9 26 A V E S+ab 33 77A 0 67,-2.4 69,-2.3 -2,-0.9 70,-1.5 -0.732 79.0 33.4 -85.3 95.4 -57.8 35.0 -17.4 10 27 A G - 0 0 5 23,-2.5 24,-0.2 -2,-1.2 23,-0.2 0.163 67.8-156.5 114.7 115.5 -59.3 34.8 -20.9 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.242 51.4 118.6-118.6 42.3 -58.4 32.1 -23.3 12 29 A G S > S- 0 0 31 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.222 87.2 -55.7 -83.9-150.3 -59.3 33.7 -26.6 13 30 A M H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.898 139.3 45.1 -64.2 -42.0 -57.0 34.6 -29.5 14 31 A I H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.946 113.0 52.5 -66.9 -46.4 -54.5 36.6 -27.4 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 107.6 52.1 -51.2 -46.8 -54.6 33.9 -24.7 16 33 A G H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 110.8 45.8 -59.1 -47.7 -53.8 31.2 -27.2 17 35 A V H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.937 111.4 53.7 -63.7 -44.4 -50.7 33.1 -28.6 18 36 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 107.7 49.4 -52.6 -50.2 -49.5 33.9 -25.1 19 37 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 111.2 50.9 -57.4 -44.1 -49.7 30.2 -24.1 20 38 A T H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.931 112.7 44.8 -58.1 -49.5 -47.7 29.3 -27.2 21 39 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.845 108.3 57.6 -67.7 -35.2 -45.0 31.9 -26.6 22 40 A I H <>S+ 0 0 1 -4,-2.5 5,-2.2 -5,-0.2 6,-0.3 0.929 110.4 44.0 -60.1 -44.7 -44.8 30.9 -22.9 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.923 110.7 54.7 -67.1 -42.7 -44.0 27.3 -23.9 24 42 A Q H 3<5S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 117.1 37.1 -54.8 -40.6 -41.5 28.4 -26.6 25 43 A K T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.340 103.8-129.8 -94.3 3.3 -39.6 30.5 -24.0 26 44 A N T < 5 + 0 0 25 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.851 55.9 150.5 48.8 40.7 -40.1 27.9 -21.1 27 45 A L < - 0 0 18 -5,-2.2 -23,-0.5 1,-0.2 2,-0.3 0.800 55.9 -53.5 -76.8 -31.3 -41.3 30.8 -19.0 28 46 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 2,-0.2 -0.967 64.7 -58.0 173.5 171.5 -43.7 28.9 -16.7 29 47 A D E -a 5 0A 35 -25,-2.4 -23,-3.0 -2,-0.3 2,-0.4 -0.546 56.5-143.0 -70.0 143.9 -46.6 26.6 -16.2 30 49 A V E -ac 6 60A 2 29,-3.3 31,-2.4 -2,-0.2 2,-0.5 -0.926 18.3-166.7-119.3 136.7 -49.8 27.9 -17.9 31 50 A V E -ac 7 61A 7 -25,-2.5 -23,-3.2 -2,-0.4 2,-0.9 -0.980 9.6-157.0-118.8 120.3 -53.4 27.9 -17.1 32 51 A L E -ac 8 62A 0 29,-3.2 31,-2.3 -2,-0.5 2,-0.4 -0.858 21.9-172.8 -91.8 102.6 -55.9 28.9 -19.8 33 52 A F E +ac 9 63A 16 -25,-2.6 -23,-2.5 -2,-0.9 2,-0.3 -0.836 14.4 148.5-101.7 136.2 -58.9 30.0 -17.8 34 53 A D - 0 0 25 29,-2.1 -2,-0.0 -2,-0.4 -25,-0.0 -0.984 52.2-128.6-158.0 158.1 -62.2 30.9 -19.4 35 54 A I S S+ 0 0 145 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.783 86.8 96.4 -73.4 -32.0 -66.0 30.8 -18.8 36 55 A V S S- 0 0 72 1,-0.1 2,-0.1 -3,-0.1 -2,-0.1 -0.424 81.3-123.1 -61.5 128.0 -66.4 29.0 -22.1 37 56 A K S S- 0 0 145 1,-0.2 2,-2.6 -2,-0.2 -1,-0.1 -0.439 77.8 -5.5 -72.2 146.9 -66.6 25.2 -21.5 38 57 A N S >> S+ 0 0 85 1,-0.2 4,-2.1 -2,-0.1 3,-0.5 -0.163 106.9 91.0 73.3 -47.6 -64.2 22.7 -23.1 39 58 A M H 3> S+ 0 0 28 -2,-2.6 4,-2.7 1,-0.2 5,-0.3 0.872 85.0 50.1 -51.8 -47.4 -62.4 25.2 -25.3 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.870 110.7 50.8 -64.3 -31.4 -59.6 26.1 -22.8 41 60 A H H <> S+ 0 0 74 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.877 111.2 48.4 -69.2 -38.1 -58.9 22.4 -22.3 42 61 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 495,-0.3 -1,-0.2 0.917 113.7 45.5 -67.5 -46.1 -58.6 21.8 -26.0 43 62 A K H X S+ 0 0 12 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.902 113.2 51.4 -60.5 -43.2 -56.3 24.8 -26.5 44 63 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.902 110.5 48.0 -61.6 -43.1 -54.2 23.7 -23.5 45 64 A L H X S+ 0 0 21 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.949 112.5 48.1 -63.5 -50.1 -53.9 20.1 -24.9 46 65 A D H >< S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.945 116.0 44.2 -54.3 -51.7 -52.9 21.3 -28.4 47 66 A T H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.850 103.5 65.0 -64.4 -36.8 -50.3 23.8 -26.9 48 67 A S H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.3 4,-0.3 0.860 92.7 62.4 -58.5 -35.3 -48.9 21.2 -24.4 49 68 A H T XX S+ 0 0 0 -4,-1.3 3,-1.5 -3,-0.5 4,-0.6 0.794 87.9 72.4 -61.2 -27.1 -47.6 19.0 -27.2 50 69 A T H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.5 -1,-0.3 0.647 73.9 82.3 -68.0 -14.2 -45.3 21.8 -28.3 51 70 A N H <>>S+ 0 0 0 -3,-1.7 5,-1.9 -4,-0.3 4,-1.0 0.899 90.8 53.4 -50.6 -39.7 -43.1 21.2 -25.2 52 71 A V H X45S+ 0 0 2 -3,-1.5 3,-0.7 -4,-0.3 -1,-0.2 0.955 111.5 42.0 -61.4 -52.1 -41.5 18.4 -27.3 53 72 A M H 3<5S+ 0 0 21 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.1 44.6 -63.9 -32.6 -40.7 20.7 -30.3 54 73AA A H 3<5S- 0 0 25 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.517 102.6-126.0 -91.5 -6.9 -39.5 23.5 -28.0 55 73BA Y T <<5 + 0 0 45 -4,-1.0 2,-0.2 -3,-0.7 -3,-0.2 0.849 68.8 132.0 53.8 41.6 -37.4 21.4 -25.6 56 74 A S < - 0 0 3 -5,-1.9 422,-0.3 -6,-0.2 -1,-0.2 -0.582 54.7-149.7-110.7 171.9 -39.4 22.9 -22.8 57 75 A N + 0 0 8 -2,-0.2 2,-0.5 808,-0.1 -28,-0.1 -0.430 41.0 140.1-143.1 66.1 -41.2 21.5 -19.8 58 76 A C - 0 0 0 -10,-0.1 2,-0.2 -35,-0.1 -29,-0.1 -0.947 46.8-132.7-109.4 124.1 -44.2 23.8 -19.0 59 77 A K - 0 0 100 -2,-0.5 -29,-3.3 -8,-0.0 2,-0.4 -0.523 20.6-164.3 -68.9 139.2 -47.5 22.3 -18.0 60 78 A V E +c 30 0A 15 -31,-0.2 2,-0.3 -2,-0.2 -29,-0.2 -0.976 16.0 167.1-127.9 117.7 -50.5 23.8 -19.9 61 79 A S E -c 31 0A 56 -31,-2.4 -29,-3.2 -2,-0.4 2,-0.3 -0.922 28.9-127.9-131.2 154.7 -53.9 23.2 -18.5 62 80 A G E -c 32 0A 11 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.661 27.0-172.0 -95.0 157.2 -57.4 24.5 -19.1 63 81 A S E -c 33 0A 2 -31,-2.3 -29,-2.1 -2,-0.3 3,-0.0 -0.990 32.2-178.2-150.5 140.5 -59.7 25.8 -16.4 64 83 A N S S+ 0 0 59 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.1 0.158 70.7 81.1-115.3 19.2 -63.2 27.0 -15.7 65 84 A T > - 0 0 55 1,-0.1 3,-1.7 0, 0.0 4,-0.1 -0.979 68.5-142.7-128.5 137.3 -62.7 27.9 -12.1 66 85 A Y G > S+ 0 0 35 -2,-0.4 3,-1.9 1,-0.3 4,-0.2 0.639 94.2 84.2 -65.0 -13.4 -61.2 30.9 -10.3 67 86 A D G > S+ 0 0 103 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.781 76.7 69.0 -56.4 -27.8 -59.7 28.3 -7.8 68 87 A D G < S+ 0 0 54 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.609 79.5 76.6 -74.5 -7.2 -56.8 27.9 -10.3 69 88 A L G X + 0 0 3 -3,-1.9 3,-2.3 -4,-0.1 -1,-0.3 0.705 69.7 109.1 -66.2 -21.8 -55.7 31.5 -9.4 70 89 A A T < S+ 0 0 47 -3,-1.7 46,-0.2 1,-0.3 45,-0.1 -0.409 88.4 11.5 -60.0 127.2 -54.3 30.0 -6.2 71 90 A G T 3 S+ 0 0 57 44,-0.7 -66,-0.3 1,-0.3 -1,-0.3 0.438 90.3 154.9 83.8 2.3 -50.5 30.0 -6.4 72 91 A A < - 0 0 8 -3,-2.3 -1,-0.3 43,-0.2 -66,-0.2 -0.388 26.2-176.1 -65.4 134.3 -50.5 32.3 -9.5 73 92 A D S S+ 0 0 68 -68,-2.9 47,-2.5 1,-0.4 2,-0.4 0.746 77.7 23.7 -95.5 -35.6 -47.3 34.3 -10.0 74 93 A V E -bd 6 120A 0 -69,-1.8 -67,-2.7 45,-0.2 2,-0.4 -0.997 66.3-167.9-131.8 134.6 -48.5 36.2 -13.0 75 94 A V E -bd 7 121A 0 45,-2.6 47,-2.9 -2,-0.4 2,-0.6 -0.992 4.1-166.0-124.5 122.0 -52.2 36.8 -13.9 76 95 A I E -bd 8 122A 0 -69,-2.5 -67,-2.4 -2,-0.4 2,-0.8 -0.940 7.0-157.0-113.7 116.0 -52.9 38.2 -17.4 77 96 A V E +bd 9 123A 0 45,-2.7 47,-2.9 -2,-0.6 48,-1.2 -0.827 34.6 145.9-102.2 105.5 -56.5 39.5 -17.9 78 97 A T + 0 0 33 -69,-2.3 -68,-0.2 -2,-0.8 48,-0.2 0.405 41.2 117.3-107.9 -5.2 -57.8 39.6 -21.5 79 98 A A + 0 0 28 -70,-1.5 2,-0.2 46,-0.1 46,-0.1 -0.294 37.0 95.3 -67.1 147.0 -61.4 38.8 -20.5 80 99 A G S S- 0 0 31 45,-0.1 2,-0.3 24,-0.0 21,-0.1 -0.718 73.6 -65.5 151.2 162.3 -64.1 41.4 -21.2 81 100 A F + 0 0 74 -2,-0.2 45,-0.1 16,-0.2 3,-0.1 -0.579 32.0 178.0 -72.4 133.3 -66.8 42.5 -23.6 82 101 A T S S+ 0 0 124 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.479 76.8 20.1-107.1 -13.2 -65.6 43.6 -27.1 83 102 A K S S- 0 0 107 14,-0.1 -1,-0.3 13,-0.1 6,-0.0 -0.969 93.6 -92.2-144.9 162.3 -69.2 44.2 -28.3 84 103AA A > - 0 0 11 -2,-0.3 3,-1.9 -3,-0.1 7,-0.1 -0.632 55.2-105.0 -74.9 125.3 -72.6 44.7 -26.6 85 103BA P T 3 S- 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.293 96.2 -3.3 -59.9 126.1 -74.3 41.3 -26.3 86 103CA G T 3 S+ 0 0 73 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.464 102.8 125.8 77.0 3.3 -77.1 40.7 -28.8 87 103DA K < - 0 0 108 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.648 62.3-119.7 -95.5 150.7 -76.8 44.1 -30.3 88 103EA S > - 0 0 59 -2,-0.3 3,-1.8 -3,-0.1 4,-0.3 -0.553 35.9-101.4 -78.2 171.1 -76.3 45.0 -33.9 89 105AA D T 3 S+ 0 0 129 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.779 119.0 54.9 -71.5 -10.9 -72.9 47.1 -35.0 90 105BA K T 3 S+ 0 0 183 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.535 100.2 53.9 -89.6 -8.3 -75.0 50.3 -35.3 91 106 A E S < S+ 0 0 118 -3,-1.8 2,-0.3 -7,-0.1 -1,-0.2 0.316 100.5 56.6-117.7 7.9 -76.7 50.5 -31.9 92 107 A W - 0 0 63 -3,-0.5 2,-0.3 -4,-0.3 3,-0.0 -0.978 58.3-166.0-131.2 149.7 -73.7 50.4 -29.4 93 108 A N >> - 0 0 89 -2,-0.3 3,-1.7 1,-0.0 4,-0.5 -0.844 41.8 -95.0-122.7 170.2 -70.6 52.4 -29.0 94 109 A R G >4 S+ 0 0 130 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.844 119.7 62.1 -50.2 -42.1 -67.3 51.8 -27.1 95 110 A D G >4 S+ 0 0 33 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.768 93.3 65.3 -58.9 -27.9 -68.6 53.8 -24.0 96 111 A D G <> S+ 0 0 83 -3,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.772 94.9 58.2 -67.1 -26.4 -71.5 51.3 -23.6 97 112 A L H S+ 0 0 2 -3,-0.9 4,-1.9 -4,-0.5 -1,-0.2 0.909 92.9 39.2 -58.2 -52.6 -67.5 50.5 -19.8 99 114 A P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.805 115.7 54.2 -71.7 -24.3 -70.0 49.6 -17.1 100 115 A L H X S+ 0 0 61 -4,-0.5 4,-1.4 2,-0.2 3,-0.2 0.944 111.5 43.6 -68.6 -48.1 -70.3 46.0 -18.3 101 116 A N H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.795 105.7 63.7 -70.4 -26.4 -66.5 45.5 -18.1 102 117 A N H X S+ 0 0 20 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.931 102.5 49.9 -55.6 -45.1 -66.5 47.3 -14.7 103 118 A K H X S+ 0 0 150 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.882 109.0 51.6 -65.4 -36.5 -68.6 44.4 -13.4 104 119 A I H X S+ 0 0 38 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.910 109.3 49.9 -63.1 -42.6 -66.1 41.9 -14.9 105 120 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.851 108.5 53.7 -66.5 -32.8 -63.3 43.7 -13.1 106 121 A I H X S+ 0 0 78 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.933 112.7 43.6 -64.0 -45.0 -65.2 43.6 -9.9 107 122 A E H X S+ 0 0 105 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.958 118.4 41.9 -66.1 -52.2 -65.7 39.8 -10.2 108 123 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.909 113.8 53.7 -63.1 -43.0 -62.1 39.1 -11.3 109 124 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.906 106.1 52.4 -57.7 -45.7 -60.7 41.5 -8.7 110 125 A G H X S+ 0 0 35 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.886 111.4 46.4 -56.8 -42.0 -62.6 39.8 -5.9 111 126 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54.2 -64.8 -22.4 -40.5 -1.3 -29.2 498 205 B Y G < S+ 0 0 5 -3,-1.6 2,-0.5 -15,-0.2 -1,-0.3 0.074 80.0 113.7-102.6 21.2 -39.0 2.0 -30.4 499 206 B I < + 0 0 1 -3,-1.4 7,-2.5 -17,-0.2 2,-0.3 -0.832 41.9 178.0 -93.6 129.6 -39.9 4.1 -27.4 500 207 B T E -VW 481 505E 11 -19,-2.4 -19,-2.3 -2,-0.5 2,-0.5 -0.917 23.4-152.0-127.8 156.2 -37.0 5.4 -25.3 501 208 B V E > S-VW 480 504E 0 3,-2.7 3,-1.9 -2,-0.3 -21,-0.2 -0.976 90.3 -17.6-128.1 113.1 -36.7 7.6 -22.3 502 209AB G T 3 S- 0 0 3 -23,-3.2 -22,-0.1 -2,-0.5 287,-0.1 0.827 131.0 -53.8 55.2 33.3 -33.4 9.4 -22.1 503 209BB G T 3 S+ 0 0 3 -24,-0.6 -1,-0.3 1,-0.3 287,-0.1 0.393 114.9 120.7 84.3 -1.7 -32.2 6.9 -24.7 504 209CB I E < S-W 501 0E 0 -3,-1.9 -3,-2.7 1,-0.1 -1,-0.3 -0.794 74.2 -99.9 -98.1 133.2 -33.2 3.9 -22.5 505 209DB P E >> -W 500 0E 50 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.250 24.3-132.4 -50.9 132.4 -35.8 1.3 -23.7 506 210AB L H >> S+ 0 0 2 -7,-2.5 4,-1.7 1,-0.3 3,-1.3 0.831 102.3 71.8 -53.5 -37.4 -39.2 2.0 -22.4 507 210BB Q H 3> S+ 0 0 87 -8,-0.3 4,-3.1 1,-0.3 -1,-0.3 0.819 90.2 60.2 -51.7 -33.9 -39.5 -1.7 -21.5 508 211 B E H <> S+ 0 0 12 -3,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.869 105.3 47.4 -61.8 -36.5 -37.0 -1.1 -18.7 509 212 B F H <<>S+ 0 0 3 -3,-1.3 5,-2.7 -4,-0.6 6,-0.7 0.816 111.6 50.8 -74.3 -31.7 -39.4 1.4 -17.1 510 213 B I H ><5S+ 0 0 14 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.940 107.9 52.1 -67.3 -48.8 -42.3 -1.1 -17.5 511 214 B N H 3<5S+ 0 0 76 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.848 109.3 51.7 -54.5 -35.8 -40.2 -3.8 -15.8 512 215 B N T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.310 114.9-117.6 -84.2 7.1 -39.6 -1.4 -12.9 513 216 B K T < 5S+ 0 0 176 -3,-2.0 -3,-0.2 2,-0.2 3,-0.1 0.733 77.5 127.9 58.8 31.1 -43.3 -0.7 -12.5 514 218 B L S - 0 0 49 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.580 20.9-119.8 -99.3 160.8 -47.9 -0.1 -16.9 517 221 B D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.852 118.5 52.2 -60.6 -34.9 -48.8 -1.9 -20.2 518 222 B A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 107.6 49.9 -68.0 -44.3 -52.4 -0.8 -19.5 519 223 B E H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.912 112.2 49.5 -56.8 -45.0 -51.4 2.8 -19.0 520 225 B L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.887 107.0 52.8 -65.2 -41.8 -49.4 2.7 -22.2 521 226 B E H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.912 109.7 50.2 -60.4 -40.0 -52.3 1.2 -24.2 522 227 B A H X S+ 0 0 60 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.896 111.4 48.3 -63.1 -42.1 -54.5 4.1 -22.9 523 228 B I H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 110.0 52.1 -64.6 -41.3 -51.8 6.5 -24.0 524 229 B F H X S+ 0 0 21 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 111.1 47.0 -59.2 -49.6 -51.6 4.8 -27.4 525 230 B D H X S+ 0 0 98 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 112.2 50.4 -58.6 -44.5 -55.4 5.1 -27.9 526 231 B R H < S+ 0 0 98 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.896 108.6 52.8 -61.4 -42.8 -55.3 8.8 -26.8 527 232 B T H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.935 109.6 47.4 -57.1 -50.3 -52.5 9.5 -29.3 528 233 B V H 3< S+ 0 0 36 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.889 119.5 40.2 -60.1 -39.2 -54.4 8.1 -32.2 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107.8 48.4 -65.8 -46.7 -19.2 63.4 -11.4 1133 223 D E H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.915 112.1 50.1 -56.2 -45.4 -20.3 59.7 -11.5 1134 225 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.896 107.9 52.3 -64.5 -41.2 -20.6 59.9 -15.3 1135 226 D E H X S+ 0 0 112 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.926 109.6 49.3 -58.3 -47.1 -17.1 61.3 -15.6 1136 227 D A H X S+ 0 0 61 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 110.7 50.8 -57.7 -42.4 -15.8 58.5 -13.5 1137 228 D I H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 109.1 51.6 -63.0 -43.0 -17.7 56.0 -15.7 1138 229 D F H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.936 111.4 46.6 -57.2 -49.5 -16.1 57.6 -18.8 1139 230 D D H X S+ 0 0 100 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 112.4 50.6 -59.0 -43.2 -12.6 57.3 -17.3 1140 231 D R H < S+ 0 0 84 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.879 108.1 53.3 -64.7 -37.5 -13.3 53.7 -16.4 1141 232 D T H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.951 109.7 47.0 -61.7 -50.7 -14.6 52.9 -19.9 1142 233 D V H 3< S+ 0 0 39 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-2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.980 21.6-151.8-117.4 118.4 -22.5 54.8 -42.9 1210 303 D I - 0 0 12 -12,-2.7 2,-0.7 -2,-0.5 -2,-0.0 -0.846 2.8-156.8-100.1 120.0 -24.1 57.1 -40.4 1211 304 D E - 0 0 74 -2,-0.6 2,-0.2 -14,-0.1 -14,-0.1 -0.828 16.8-135.7 -96.5 116.4 -22.5 60.4 -39.7 1212 305 D L - 0 0 1 -2,-0.7 2,-2.1 1,-0.1 -24,-0.1 -0.504 18.9-121.8 -69.9 136.7 -23.4 61.9 -36.3 1213 306 D Q - 0 0 64 -2,-0.2 -1,-0.1 -25,-0.0 2,-0.1 -0.553 45.7-173.6 -80.8 76.9 -24.2 65.6 -36.5 1214 307 D L - 0 0 23 -2,-2.1 2,-0.0 1,-0.1 -26,-0.0 -0.386 19.1-126.5 -75.0 148.5 -21.5 66.5 -34.0 1215 308 D N > - 0 0 56 -2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.198 38.5 -90.4 -80.6-178.2 -21.0 70.0 -32.6 1216 309 D S H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.849 125.6 50.9 -65.5 -36.4 -17.6 71.8 -32.7 1217 310 D E H > S+ 0 0 137 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.909 114.5 42.8 -68.6 -43.0 -16.4 70.4 -29.4 1218 311 D E H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 112.0 55.4 -69.6 -39.9 -17.2 66.8 -30.3 1219 312 D K H X S+ 0 0 70 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.868 103.6 54.8 -57.8 -41.0 -15.7 67.3 -33.8 1220 313 D A H X S+ 0 0 47 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.885 108.7 47.3 -64.0 -40.7 -12.4 68.5 -32.3 1221 314 D K H X S+ 0 0 93 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.905 109.6 53.8 -65.3 -41.8 -12.1 65.3 -30.2 1222 315 D F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.928 106.8 53.1 -57.0 -44.8 -13.0 63.3 -33.3 1223 316 D D H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.859 105.5 53.2 -59.2 -38.7 -10.1 65.1 -35.1 1224 317 D E H X S+ 0 0 79 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.888 108.2 51.0 -64.3 -39.0 -7.6 64.2 -32.4 1225 318 D A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 111.9 45.8 -62.8 -45.9 -8.6 60.5 -32.7 1226 319 D I H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.884 109.2 56.0 -66.3 -39.3 -8.1 60.6 -36.5 1227 320 D A H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.877 108.6 47.8 -58.8 -41.0 -4.7 62.4 -36.1 1228 321 D E H X S+ 0 0 58 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.886 109.9 51.7 -69.2 -41.1 -3.5 59.6 -33.8 1229 322 D T H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 111.5 48.2 -59.0 -44.0 -4.7 57.0 -36.3 1230 323 D K H X S+ 0 0 98 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.906 108.7 54.0 -63.1 -41.6 -2.8 58.8 -39.0 1231 324 D R H X S+ 0 0 103 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.928 112.6 42.9 -58.2 -47.3 0.4 59.1 -36.9 1232 325 D M H X S+ 0 0 24 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.832 109.3 57.4 -71.5 -32.7 0.4 55.3 -36.2 1233 326 D K H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.881 103.3 54.4 -63.7 -38.8 -0.4 54.4 -39.8 1234 327 D A H < S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.5 48.8 -62.1 -38.0 2.7 56.4 -40.9 1235 328 D L H < S+ 0 0 83 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 112.7 50.2 -68.6 -28.1 4.8 54.3 -38.5 1236 329 D A H < S+ 0 0 0 -4,-1.3 -2,-0.2 -217,-0.1 -1,-0.2 0.848 88.0 96.2 -79.0 -38.6 3.2 51.1 -40.0 1237 330 D H < 0 0 81 -4,-2.2 -213,-0.0 1,-0.1 -214,-0.0 -0.231 360.0 360.0 -63.5 144.1 3.7 51.7 -43.7 1238 331 D H 0 0 135 -215,-0.1 -1,-0.1 -218,-0.0 -2,-0.0 0.356 360.0 360.0-103.9 360.0 6.7 50.2 -45.4