==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-04 1UXJ . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR A.BJORK,B.DALHUS,D.MANTZILAS,V.G.H.EIJSINK,R.SIREVAG . 598 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.7 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 54 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 0 0 0 2 1 1 4 2 0 3 2 1 0 0 0 1 1 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 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 1 A M 0 0 234 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.9 -30.4 41.1 46.5 2 2 A R - 0 0 104 1,-0.0 25,-0.1 25,-0.0 24,-0.0 -0.875 360.0 -87.2-135.0 167.1 -27.8 41.1 49.3 3 3 A K - 0 0 97 23,-0.5 25,-2.5 -2,-0.3 2,-0.4 -0.336 42.6-139.8 -68.7 158.7 -24.0 41.3 49.6 4 4 A K E -a 28 0A 46 23,-0.2 68,-2.7 66,-0.1 69,-1.4 -0.986 17.6-174.4-131.2 126.3 -22.2 38.0 49.4 5 5 A I E -ab 29 73A 0 23,-2.8 25,-2.7 -2,-0.4 2,-0.5 -0.974 6.7-161.8-120.0 126.7 -19.3 36.9 51.5 6 6 A S E -ab 30 74A 0 67,-2.5 69,-3.3 -2,-0.5 2,-0.6 -0.933 1.6-161.4-111.2 130.0 -17.4 33.6 50.9 7 7 A I E -ab 31 75A 0 23,-3.3 25,-2.8 -2,-0.5 2,-0.8 -0.942 7.1-156.4-111.4 112.3 -15.2 32.1 53.6 8 8 A I E S+ab 32 76A 2 67,-3.5 69,-2.8 -2,-0.6 25,-0.2 -0.805 72.3 35.2 -93.1 108.7 -12.7 29.5 52.3 9 9 A G - 0 0 5 23,-3.4 2,-0.3 -2,-0.8 24,-0.2 0.497 66.4-152.4 112.1 100.7 -11.7 27.2 55.1 10 10 A A + 0 0 0 4,-0.2 23,-0.1 22,-0.1 68,-0.1 -0.212 54.8 116.3 -97.6 43.5 -14.4 26.4 57.7 11 11 A G S > S- 0 0 28 66,-0.6 4,-2.8 -2,-0.3 5,-0.4 0.103 87.5 -58.4 -88.2-153.5 -12.1 25.7 60.7 12 12 A F H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.947 137.0 37.5 -57.2 -53.6 -11.9 27.6 63.9 13 13 A V H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 119.1 48.4 -68.3 -43.0 -11.1 31.0 62.4 14 14 A G H > S+ 0 0 0 63,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.931 114.7 43.4 -63.0 -47.4 -13.4 30.6 59.4 15 15 A S H X S+ 0 0 26 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.881 114.2 50.8 -66.8 -37.3 -16.4 29.4 61.3 16 16 A T H X S+ 0 0 14 -4,-1.9 4,-2.4 -5,-0.4 -1,-0.2 0.833 106.9 55.2 -69.9 -29.9 -16.0 32.1 64.0 17 17 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.902 106.0 51.5 -67.8 -39.2 -15.7 34.7 61.3 18 18 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.886 108.1 53.5 -62.7 -38.8 -19.1 33.6 60.0 19 19 A H H X S+ 0 0 114 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.968 110.5 44.2 -61.5 -53.5 -20.4 33.9 63.5 20 20 A W H X S+ 0 0 108 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.906 117.0 47.1 -58.3 -43.0 -19.2 37.6 63.9 21 21 A L H X>S+ 0 0 2 -4,-2.4 5,-0.8 2,-0.2 4,-0.7 0.883 106.4 56.3 -67.1 -40.6 -20.5 38.5 60.4 22 22 A A H ><5S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.924 104.8 52.5 -58.4 -45.4 -23.9 36.8 60.8 23 23 A A H 3<5S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.782 105.7 56.8 -61.3 -27.1 -24.6 38.9 63.9 24 24 A K H 3<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.637 97.7-141.8 -79.1 -16.9 -23.7 42.0 61.8 25 25 A E T <<5 + 0 0 101 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.941 49.4 145.8 53.3 52.8 -26.4 41.2 59.1 26 26 A L < - 0 0 18 -5,-0.8 -23,-0.5 1,-0.3 2,-0.3 0.643 62.5 -70.8 -93.0 -19.8 -24.1 42.3 56.3 27 27 A G S S- 0 0 7 -6,-0.2 -1,-0.3 -25,-0.1 -23,-0.2 -0.945 74.0 -23.9 154.3-173.8 -25.2 39.8 53.7 28 28 A D E -a 4 0A 29 -25,-2.5 -23,-2.8 -2,-0.3 2,-0.4 -0.334 52.4-152.1 -67.4 147.6 -25.1 36.1 52.7 29 29 A I E -ac 5 59A 0 29,-2.4 31,-2.4 -25,-0.2 2,-0.5 -0.982 8.5-167.4-126.0 129.5 -22.3 33.9 53.9 30 30 A V E -ac 6 60A 9 -25,-2.7 -23,-3.3 -2,-0.4 2,-0.6 -0.974 6.7-160.0-117.8 120.3 -21.0 30.9 52.2 31 31 A L E -ac 7 61A 1 29,-3.3 31,-2.7 -2,-0.5 2,-0.4 -0.900 14.6-174.8-101.0 116.1 -18.7 28.6 54.2 32 32 A L E +ac 8 62A 4 -25,-2.8 -23,-3.4 -2,-0.6 2,-0.3 -0.872 9.9 160.3-114.5 144.8 -16.5 26.4 52.0 33 33 A D - 0 0 25 29,-1.8 4,-0.1 -2,-0.4 7,-0.0 -0.967 45.0-126.2-152.4 164.1 -14.2 23.6 53.0 34 34 A I S S+ 0 0 158 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.723 91.0 84.6 -85.5 -23.1 -12.5 20.6 51.4 35 35 A V S S- 0 0 77 1,-0.1 3,-0.1 -3,-0.0 2,-0.1 -0.686 84.6-123.4 -84.2 125.9 -13.9 18.4 54.2 36 36 A E S S+ 0 0 165 -2,-0.5 2,-0.9 1,-0.2 -2,-0.1 -0.382 86.2 8.9 -70.0 143.0 -17.4 17.1 53.6 37 37 A G S > S+ 0 0 43 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.212 104.7 90.7 85.7 -45.7 -20.1 17.8 56.1 38 38 A V H > S+ 0 0 54 -2,-0.9 4,-2.3 1,-0.2 5,-0.3 0.929 91.8 37.4 -50.6 -59.3 -18.0 20.2 58.2 39 39 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 117.3 52.6 -63.5 -39.8 -19.0 23.5 56.5 40 40 A Q H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 111.5 46.9 -59.2 -45.0 -22.6 22.3 56.0 41 41 A G H X S+ 0 0 44 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.925 114.2 44.6 -64.3 -47.6 -22.9 21.5 59.6 42 42 A K H X S+ 0 0 76 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.883 114.4 50.5 -65.6 -38.7 -21.4 24.7 61.0 43 43 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.921 113.1 44.4 -65.7 -45.3 -23.4 26.8 58.5 44 44 A L H X S+ 0 0 97 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.881 111.9 53.6 -67.3 -38.5 -26.7 25.2 59.4 45 45 A D H < S+ 0 0 110 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.952 112.7 43.8 -59.8 -49.8 -26.0 25.4 63.1 46 46 A L H >< S+ 0 0 23 -4,-2.3 3,-1.4 1,-0.2 4,-0.5 0.903 111.4 53.8 -63.7 -40.5 -25.3 29.1 62.8 47 47 A Y H >< S+ 0 0 94 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.907 103.8 56.8 -60.5 -41.2 -28.4 29.6 60.6 48 48 A E T 3< S+ 0 0 120 -4,-2.5 -1,-0.3 1,-0.3 4,-0.2 0.609 99.2 61.0 -68.2 -9.1 -30.5 27.9 63.2 49 49 A A T X> S+ 0 0 30 -3,-1.4 4,-2.1 -4,-0.4 3,-0.7 0.630 83.1 86.0 -89.8 -13.8 -29.4 30.5 65.7 50 50 A S H <>>S+ 0 0 12 -3,-1.7 4,-1.8 -4,-0.5 5,-1.3 0.811 81.2 54.0 -60.1 -36.3 -30.8 33.3 63.7 51 51 A P H 345S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.840 112.3 47.8 -68.9 -27.3 -34.4 33.3 65.0 52 52 A I H <45S+ 0 0 137 -3,-0.7 -2,-0.2 -4,-0.2 -3,-0.1 0.933 118.7 37.4 -74.3 -47.6 -33.0 33.6 68.5 53 53 A E H <5S- 0 0 133 -4,-2.1 -1,-0.2 2,-0.1 -3,-0.2 0.614 105.9-129.3 -79.7 -14.3 -30.6 36.5 67.7 54 54 A G T <5 + 0 0 61 -4,-1.8 2,-0.4 -5,-0.3 -4,-0.1 0.838 59.1 134.7 70.4 34.2 -33.1 38.1 65.3 55 55 A F < - 0 0 17 -5,-1.3 2,-0.9 -6,-0.1 -1,-0.2 -0.922 51.1-139.3-118.2 143.8 -30.8 38.5 62.3 56 56 A D + 0 0 111 -2,-0.4 2,-0.4 -33,-0.1 -29,-0.1 -0.812 44.2 143.2-102.0 94.1 -31.6 37.6 58.7 57 57 A V - 0 0 3 -2,-0.9 2,-1.0 -10,-0.1 -29,-0.1 -0.994 44.4-141.9-135.4 127.6 -28.6 36.0 57.2 58 58 A R + 0 0 100 -2,-0.4 -29,-2.4 2,-0.0 2,-0.6 -0.783 28.7 178.3 -90.4 102.4 -28.4 33.2 54.7 59 59 A V E +c 29 0A 2 -2,-1.0 2,-0.3 -31,-0.2 -29,-0.2 -0.930 3.6 171.4-110.1 120.7 -25.5 31.1 55.8 60 60 A T E -c 30 0A 71 -31,-2.4 -29,-3.3 -2,-0.6 2,-0.3 -0.919 22.8-139.4-129.3 154.1 -24.7 28.0 53.9 61 61 A G E +c 31 0A 18 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.855 27.5 165.0-112.6 149.7 -21.9 25.4 53.8 62 62 A T E -c 32 0A 11 -31,-2.7 -29,-1.8 -2,-0.3 3,-0.0 -0.982 42.1-154.9-158.0 165.7 -20.4 23.8 50.7 63 63 A N S S+ 0 0 56 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.292 78.7 91.4-120.6 -1.4 -17.5 21.8 49.2 64 64 A N > - 0 0 92 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.878 63.1-155.4-105.7 116.0 -18.2 23.3 45.7 65 65 A Y G > S+ 0 0 34 -2,-0.6 3,-2.1 1,-0.3 4,-0.3 0.732 89.8 75.8 -58.5 -23.4 -16.3 26.4 44.7 66 66 A A G > S+ 0 0 57 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.798 85.4 63.8 -59.6 -27.8 -19.2 27.2 42.2 67 67 A D G < S+ 0 0 79 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.559 94.6 60.6 -74.3 -7.0 -21.3 28.3 45.2 68 68 A T G X S+ 0 0 1 -3,-2.1 3,-0.8 -4,-0.2 -1,-0.2 0.442 76.6 134.2 -97.6 -2.0 -18.8 31.1 45.9 69 69 A A T < + 0 0 22 -3,-1.2 33,-0.2 -4,-0.3 32,-0.1 -0.098 68.1 13.1 -52.9 143.0 -19.4 32.8 42.5 70 70 A N T 3 S+ 0 0 125 31,-2.9 -1,-0.2 1,-0.2 32,-0.2 0.815 84.6 167.6 60.6 35.7 -19.9 36.6 42.4 71 71 A S < - 0 0 4 -3,-0.8 33,-0.2 1,-0.1 -1,-0.2 -0.520 35.3-150.4 -79.3 147.5 -18.8 37.2 45.9 72 72 A D S S+ 0 0 60 -68,-2.7 34,-1.8 1,-0.3 2,-0.4 0.802 86.5 21.1 -84.2 -32.2 -18.2 40.7 47.1 73 73 A V E -bd 5 106A 0 -69,-1.4 -67,-2.5 32,-0.3 2,-0.5 -1.000 65.6-160.2-139.9 136.9 -15.6 39.6 49.6 74 74 A I E -bd 6 107A 1 32,-2.4 34,-3.2 -2,-0.4 2,-0.5 -0.980 8.8-163.8-118.9 119.9 -13.5 36.4 49.8 75 75 A V E -bd 7 108A 0 -69,-3.3 -67,-3.5 -2,-0.5 2,-0.6 -0.894 5.8-154.7-103.7 132.3 -12.0 35.5 53.2 76 76 A V E +bd 8 109A 0 32,-2.4 34,-1.6 -2,-0.5 35,-1.1 -0.901 34.4 145.4-114.5 107.4 -9.3 32.8 53.1 77 77 A T + 0 0 16 -69,-2.8 -66,-0.6 -2,-0.6 -63,-0.4 -0.395 37.7 109.9-132.5 51.5 -8.9 30.9 56.4 78 78 A S + 0 0 28 -68,-0.1 -69,-0.1 -65,-0.1 -1,-0.1 0.521 44.3 116.5-105.3 -10.4 -7.9 27.5 55.0 79 79 A G S S- 0 0 21 -3,-0.1 8,-0.1 1,-0.1 9,-0.0 -0.074 71.2-107.8 -59.7 160.3 -4.2 27.4 56.1 80 80 A A 0 0 46 32,-0.2 -1,-0.1 3,-0.2 7,-0.1 -0.820 360.0 360.0 -93.5 120.2 -2.9 24.8 58.5 81 81 A P 0 0 138 0, 0.0 -1,-0.0 0, 0.0 30,-0.0 -0.186 360.0 360.0 -53.2 360.0 -2.0 26.4 61.9 82 ! 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 83 91 A L > 0 0 129 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.4 5.1 25.8 56.9 84 92 A I H > + 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 360.0 49.1 -62.1 -45.3 5.5 27.9 53.8 85 93 A K H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.938 111.4 46.5 -61.3 -52.9 5.2 24.9 51.4 86 94 A V H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 119.4 40.2 -57.7 -48.7 2.1 23.4 52.9 87 95 A N H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.773 109.4 60.3 -73.9 -26.7 0.2 26.8 53.1 88 96 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.913 109.0 43.7 -66.6 -41.3 1.6 27.9 49.7 89 97 A D H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.896 115.4 47.9 -69.6 -42.0 -0.1 24.9 48.0 90 98 A I H X S+ 0 0 51 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.936 114.1 47.2 -63.6 -46.9 -3.3 25.3 50.0 91 99 A T H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.927 110.9 50.1 -62.0 -47.7 -3.4 29.0 49.2 92 100 A R H X S+ 0 0 114 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.919 111.7 49.8 -58.2 -43.4 -2.7 28.7 45.5 93 101 A A H X S+ 0 0 42 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.917 113.4 45.7 -61.5 -44.8 -5.5 26.0 45.2 94 102 A C H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.946 117.9 40.7 -64.8 -50.7 -8.0 28.2 47.0 95 103 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 110.5 57.3 -66.5 -42.9 -7.3 31.4 45.1 96 104 A S H < S+ 0 0 54 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.809 116.9 36.0 -59.6 -29.6 -6.9 29.7 41.7 97 105 A Q H < S+ 0 0 92 -4,-1.2 4,-0.4 -3,-0.2 -2,-0.2 0.834 123.9 39.4 -92.1 -37.0 -10.4 28.3 42.1 98 106 A A H >X S+ 0 0 1 -4,-2.5 4,-0.9 -5,-0.2 3,-0.8 0.911 104.9 61.8 -80.8 -46.0 -12.2 31.2 43.9 99 107 A A G >< S+ 0 0 2 -4,-2.3 3,-1.1 -5,-0.2 6,-0.2 0.882 100.3 52.7 -50.2 -50.8 -10.7 34.3 42.2 100 108 A P G 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.825 108.5 52.2 -58.3 -31.4 -12.0 33.6 38.7 101 109 A L G <4 S+ 0 0 64 -3,-0.8 -31,-2.9 -4,-0.4 -2,-0.2 0.661 118.1 35.4 -79.9 -17.2 -15.6 33.1 39.9 102 110 A S X< + 0 0 1 -3,-1.1 3,-1.9 -4,-0.9 -1,-0.3 -0.530 67.5 165.3-136.0 66.6 -15.6 36.5 41.8 103 111 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.664 77.8 48.8 -57.1 -21.7 -13.6 38.9 39.6 104 112 A N T 3 S+ 0 0 138 -33,-0.2 2,-0.1 2,-0.1 -5,-0.0 0.351 89.8 115.1-102.5 6.2 -14.9 42.0 41.5 105 113 A A < - 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0 0 9 -5,-1.7 -1,-0.3 -6,-0.2 -216,-0.2 -0.883 68.7 -80.5-133.7 164.2 -12.2 58.3 57.6 455 163 C S > - 0 0 10 -218,-1.9 3,-1.3 -2,-0.3 4,-0.1 -0.330 31.9-130.8 -63.6 144.3 -14.8 56.5 59.8 456 164 C V G > S+ 0 0 85 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.716 105.3 70.6 -68.9 -18.6 -16.1 58.5 62.7 457 165 C K G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -8,-0.0 24,-0.1 0.708 96.1 51.9 -70.8 -17.9 -15.3 55.4 64.8 458 166 C D G < S+ 0 0 12 -3,-1.3 23,-2.1 22,-0.1 2,-0.5 0.334 89.9 90.8-102.3 8.1 -11.6 56.0 64.4 459 167 C V E < +W 480 0D 0 -3,-1.1 2,-0.3 21,-0.2 21,-0.2 -0.908 48.9 177.7-110.1 126.5 -11.4 59.6 65.5 460 168 C Q E +W 479 0D 14 19,-2.9 19,-1.9 -2,-0.5 2,-0.3 -0.925 3.5 171.9-123.4 150.2 -10.7 60.5 69.1 461 169 C A E -W 478 0D 7 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.973 18.0-155.6-161.2 142.2 -10.4 64.0 70.7 462 170 C M + 0 0 3 15,-1.8 12,-0.5 12,-0.4 2,-0.3 -0.938 20.8 161.5-121.2 141.5 -10.1 65.7 74.0 463 171 C L - 0 0 6 -2,-0.4 2,-0.2 10,-0.1 -22,-0.1 -0.961 15.3-154.1-151.2 165.2 -11.0 69.3 74.8 464 172 C M E +S 472 0C 3 8,-2.5 8,-3.4 -2,-0.3 2,-0.6 -0.719 45.1 42.1-135.9-177.3 -11.8 71.4 77.9 465 173 C G E S-ST 471 558C 3 93,-2.0 93,-2.2 6,-0.2 6,-0.3 -0.696 83.7 -63.1 89.8-120.2 -13.5 74.4 79.4 466 174 C G - 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0 0 61 -2,-0.5 4,-2.7 -3,-0.1 5,-0.2 -0.163 31.6-106.7 -59.6 154.3 -3.1 71.0 57.4 491 199 C P H > S+ 0 0 106 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.863 116.3 50.3 -49.6 -48.4 -2.8 73.9 60.0 492 200 C D H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.931 115.4 42.1 -60.6 -47.3 -5.0 76.4 58.2 493 201 C R H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 112.1 54.3 -68.5 -38.1 -7.8 73.9 57.7 494 202 C L H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.874 105.9 53.9 -63.9 -35.8 -7.5 72.5 61.2 495 203 C A H X S+ 0 0 57 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.909 107.4 50.6 -64.4 -40.5 -7.8 76.0 62.6 496 204 C Q H X S+ 0 0 132 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.894 110.0 50.2 -63.3 -40.0 -11.1 76.4 60.6 497 205 C I H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 109.3 50.7 -65.6 -40.7 -12.3 73.2 62.0 498 206 C V H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 112.2 48.1 -61.5 -42.8 -11.5 74.3 65.6 499 207 C E H X S+ 0 0 80 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 108.7 52.5 -64.6 -42.5 -13.4 77.5 64.9 500 208 C R H < S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.2 53.2 -61.9 -33.7 -16.3 75.6 63.5 501 209 C T H >< S+ 0 0 3 -4,-2.0 3,-1.6 2,-0.2 4,-0.4 0.935 105.3 52.5 -65.7 -46.8 -16.4 73.6 66.7 502 210 C R H 3< S+ 0 0 45 -4,-2.1 -34,-0.4 1,-0.3 3,-0.4 0.891 118.4 37.4 -54.8 -42.3 -16.4 76.7 68.9 503 211 C K T 3X S+ 0 0 122 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.261 86.0 112.8 -94.7 11.2 -19.5 78.0 66.9 504 212 C G H <> S+ 0 0 0 -3,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.840 76.8 46.0 -52.2 -43.7 -21.0 74.5 66.6 505 213 C G H > S+ 0 0 29 -4,-0.4 4,-2.1 -3,-0.4 12,-0.3 0.917 113.8 48.5 -68.6 -42.9 -24.0 75.1 68.7 506 214 C G H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.827 103.5 61.8 -66.2 -32.0 -24.7 78.5 67.1 507 215 C E H X S+ 0 0 61 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.905 108.3 43.0 -60.9 -41.1 -24.4 76.9 63.7 508 216 C I H X S+ 0 0 51 -4,-1.2 4,-2.8 -3,-0.2 3,-0.4 0.925 111.7 54.0 -70.4 -44.6 -27.3 74.6 64.5 509 217 C V H X S+ 0 0 57 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.903 108.4 49.9 -55.6 -43.8 -29.4 77.4 66.1 510 218 C N H < S+ 0 0 128 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.799 112.7 47.0 -67.5 -29.1 -29.0 79.6 63.0 511 219 C L H < S+ 0 0 127 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.921 115.6 42.8 -78.1 -45.4 -30.2 76.8 60.7 512 220 C L H < S- 0 0 72 -4,-2.8 2,-3.0 3,-0.2 -2,-0.2 0.719 86.0-162.3 -72.0 -22.2 -33.2 75.7 62.8 513 221 C K S < S+ 0 0 180 -4,-1.7 2,-0.5 -5,-0.3 -1,-0.2 -0.115 75.7 52.5 67.6 -44.8 -34.1 79.4 63.4 514 222 C T S S- 0 0 124 -2,-3.0 2,-0.1 -3,-0.1 -4,-0.0 -0.967 112.1 -0.8-124.6 114.4 -36.3 78.3 66.3 515 223 C G S S- 0 0 45 -2,-0.5 2,-0.2 2,-0.0 -3,-0.2 -0.134 75.7 -94.8 96.9 164.7 -34.7 76.1 69.0 516 224 C S - 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