==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-01 1HYG . COMPND 2 MOLECULE: L-LACTATE/MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR B.I.LEE,C.CHANG,S.-J.CHO,S.W.SUH . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 63 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 0 0 0 0 2 0 0 4 0 1 5 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 7 9 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 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 1 A M 0 0 35 0, 0.0 26,-2.3 0, 0.0 27,-2.0 0.000 360.0 360.0 360.0 151.2 68.1 -7.3 42.9 2 2 A K E +a 28 0A 31 72,-0.3 74,-2.8 25,-0.2 75,-1.1 -0.939 360.0 175.9-122.7 110.3 71.3 -5.4 43.0 3 3 A V E -ab 29 77A 0 25,-1.3 27,-2.8 -2,-0.5 2,-0.4 -0.859 11.9-159.4-111.3 147.1 71.6 -2.1 41.1 4 4 A T E -ab 30 78A 0 73,-1.7 75,-3.5 -2,-0.4 2,-0.5 -0.979 3.1-156.5-125.5 138.7 74.5 0.2 41.2 5 5 A I E > -ab 31 79A 0 25,-3.1 27,-2.7 -2,-0.4 2,-0.9 -0.975 3.8-155.3-118.4 127.9 74.3 3.9 40.3 6 6 A I E 3 S+ab 32 80A 0 73,-2.4 75,-2.8 -2,-0.5 76,-1.6 -0.866 88.8 22.7-103.5 98.9 77.5 5.6 39.2 7 7 A G T > + 0 0 6 25,-2.3 3,-2.2 -2,-0.9 6,-0.4 0.599 69.4 158.1 116.6 24.9 76.8 9.3 39.9 8 8 A A T < + 0 0 0 24,-1.0 9,-0.1 -3,-0.6 25,-0.1 0.571 68.6 67.4 -55.6 -9.6 74.2 8.8 42.6 9 9 A S T 3 S+ 0 0 35 23,-0.3 -1,-0.3 4,-0.1 24,-0.1 0.748 83.3 85.5 -85.4 -25.5 75.1 12.3 43.8 10 10 A G S <> S- 0 0 33 -3,-2.2 4,-3.1 1,-0.1 5,-0.2 -0.152 97.2 -96.3 -69.7 171.3 73.9 14.2 40.7 11 11 A R H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.969 125.7 36.0 -50.8 -64.3 70.2 15.3 40.3 12 12 A V H > S+ 0 0 22 216,-0.4 4,-3.0 1,-0.2 5,-0.3 0.912 115.7 55.2 -58.4 -45.0 69.2 12.3 38.2 13 13 A G H > S+ 0 0 0 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.931 112.8 43.6 -54.2 -45.2 71.4 9.9 40.2 14 14 A S H X S+ 0 0 16 -4,-3.1 4,-2.2 -7,-0.2 -2,-0.2 0.954 114.5 47.1 -63.0 -54.9 69.7 11.1 43.4 15 15 A A H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.878 112.8 51.8 -54.9 -43.0 66.2 11.0 42.1 16 16 A T H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.886 107.5 49.2 -65.0 -42.1 66.8 7.5 40.6 17 17 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.916 109.2 55.5 -65.3 -39.1 68.2 6.0 43.8 18 18 A L H X S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 3,-0.4 0.976 112.0 41.1 -54.2 -60.8 65.1 7.4 45.6 19 19 A L H X S+ 0 0 32 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.868 114.8 52.4 -56.6 -40.3 62.7 5.7 43.3 20 20 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 6,-0.2 0.841 102.6 57.6 -69.0 -32.2 64.8 2.5 43.2 21 21 A A H 3< S+ 0 0 1 -4,-2.5 38,-0.3 -3,-0.4 -1,-0.2 0.770 102.7 56.0 -67.8 -26.3 64.9 2.1 47.0 22 22 A K H 3< S+ 0 0 83 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.737 84.6 105.9 -77.8 -22.1 61.1 2.1 47.1 23 23 A E S X< S- 0 0 31 -4,-0.7 3,-1.2 -3,-0.6 36,-0.1 -0.332 71.1-138.0 -62.4 136.0 60.9 -0.9 44.7 24 24 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.800 103.9 55.4 -62.7 -29.4 60.0 -4.2 46.2 25 25 A F T 3 S+ 0 0 34 -5,-0.0 2,-0.8 2,-0.0 -4,-0.1 0.576 80.8 104.4 -82.2 -10.4 62.6 -5.9 44.1 26 26 A M < + 0 0 4 -3,-1.2 32,-0.3 -6,-0.2 3,-0.2 -0.634 33.0 157.2 -79.1 110.3 65.5 -3.7 45.3 27 27 A K + 0 0 92 -26,-2.3 33,-2.2 -2,-0.8 2,-0.4 0.837 69.7 18.0 -98.9 -43.1 67.7 -5.6 47.7 28 28 A D E -ac 2 60A 33 -27,-2.0 -25,-1.3 31,-0.2 2,-0.7 -0.949 64.0-169.9-136.1 111.5 71.1 -3.9 47.5 29 29 A L E -ac 3 61A 0 31,-3.2 33,-2.4 -2,-0.4 2,-0.6 -0.901 9.7-160.5-105.0 112.3 71.3 -0.4 46.1 30 30 A V E -ac 4 62A 0 -27,-2.8 -25,-3.1 -2,-0.7 2,-0.7 -0.814 2.8-164.3 -97.7 117.5 75.0 0.7 45.6 31 31 A L E -ac 5 63A 0 31,-3.7 33,-1.6 -2,-0.6 2,-0.4 -0.887 14.1-172.7-102.9 113.0 75.6 4.4 45.3 32 32 A I E +ac 6 64A 1 -27,-2.7 -25,-2.3 -2,-0.7 -24,-1.0 -0.859 14.7 143.5-110.7 141.8 79.0 5.1 43.9 33 33 A G E - c 0 65A 3 31,-2.4 33,-1.0 -2,-0.4 34,-0.2 -0.971 49.4 -66.7-162.1 171.6 80.9 8.3 43.5 34 34 A R > - 0 0 127 -2,-0.3 3,-2.2 31,-0.3 33,-0.0 -0.306 55.0-100.5 -68.2 153.3 84.3 10.0 43.7 35 35 A E G > S+ 0 0 117 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.737 120.1 51.3 -41.5 -37.7 86.1 10.3 47.0 36 36 A H G 3 S+ 0 0 133 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.649 107.9 51.0 -81.6 -16.0 85.1 14.0 47.5 37 37 A S G <> S+ 0 0 10 -3,-2.2 4,-0.6 1,-0.2 -1,-0.2 -0.081 77.4 102.6-110.9 33.6 81.4 13.4 47.0 38 38 A I H <> S+ 0 0 20 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.765 77.7 55.0 -84.1 -27.6 81.0 10.5 49.4 39 39 A N H > S+ 0 0 86 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.806 103.3 56.3 -74.4 -28.3 79.5 12.7 52.1 40 40 A K H > S+ 0 0 66 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.813 109.4 47.1 -71.5 -29.1 76.8 13.8 49.7 41 41 A L H X S+ 0 0 0 -4,-0.6 4,-3.5 2,-0.2 -2,-0.2 0.932 111.2 47.3 -77.4 -47.9 75.9 10.1 49.1 42 42 A E H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.861 112.7 53.2 -61.3 -29.6 75.8 9.1 52.8 43 43 A G H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.836 110.1 47.2 -70.8 -32.1 73.7 12.2 53.1 44 44 A L H X S+ 0 0 1 -4,-1.0 4,-3.3 -3,-0.2 5,-0.3 0.905 108.0 54.8 -73.7 -45.0 71.5 10.8 50.3 45 45 A R H X S+ 0 0 44 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.931 110.2 46.0 -55.7 -47.6 71.3 7.4 51.9 46 46 A E H X S+ 0 0 41 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.911 113.7 50.1 -63.0 -40.7 70.0 9.0 55.2 47 47 A D H >X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 3,-0.7 0.950 109.8 48.5 -62.6 -51.5 67.6 11.1 53.2 48 48 A I H >X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 3,-0.5 0.946 106.4 58.4 -53.1 -50.1 66.1 8.3 51.2 49 49 A Y H 3X S+ 0 0 81 -4,-2.3 4,-0.5 1,-0.3 -1,-0.2 0.815 104.3 52.5 -50.4 -34.5 65.7 6.2 54.4 50 50 A D H X< S+ 0 0 9 -4,-1.2 3,-0.9 -3,-0.7 -1,-0.3 0.897 104.9 53.2 -69.2 -41.8 63.5 9.0 55.7 51 51 A A H << S+ 0 0 8 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.734 111.1 49.1 -65.3 -20.7 61.3 8.9 52.6 52 52 A L H >< S+ 0 0 5 -4,-1.4 3,-2.4 -5,-0.2 2,-0.3 0.561 79.3 126.1 -93.4 -10.9 60.9 5.2 53.3 53 53 A A T << S+ 0 0 11 -3,-0.9 415,-0.1 -4,-0.5 3,-0.1 -0.301 79.0 16.8 -55.1 109.3 60.1 5.6 56.9 54 54 A G T 3 S+ 0 0 20 1,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.098 107.1 91.6 116.5 -22.2 56.8 3.8 57.5 55 55 A T S < S- 0 0 80 -3,-2.4 -1,-0.4 426,-0.1 2,-0.1 -0.800 85.1 -99.7-106.3 148.6 56.7 1.6 54.3 56 56 A R + 0 0 153 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.381 55.3 151.8 -65.6 141.8 58.2 -1.9 54.1 57 57 A S - 0 0 44 -2,-0.1 -35,-0.1 1,-0.0 -30,-0.1 -0.845 36.3-173.4-173.0 135.2 61.6 -2.0 52.5 58 58 A D + 0 0 78 -32,-0.3 2,-0.6 -2,-0.3 -2,-0.0 0.078 41.6 145.2-117.5 18.6 64.7 -4.3 52.7 59 59 A A - 0 0 5 -38,-0.3 2,-0.6 -31,-0.1 -31,-0.2 -0.453 35.8-158.7 -65.1 108.7 66.7 -1.9 50.5 60 60 A N E -c 28 0A 53 -33,-2.2 -31,-3.2 -2,-0.6 2,-0.4 -0.815 9.5-157.5 -89.9 119.2 70.3 -2.0 51.7 61 61 A I E -c 29 0A 7 -2,-0.6 2,-0.4 -33,-0.2 -31,-0.2 -0.840 10.3-172.0-100.6 137.2 71.9 1.2 50.6 62 62 A Y E -c 30 0A 76 -33,-2.4 -31,-3.7 -2,-0.4 2,-0.4 -0.972 8.5-156.5-129.7 146.3 75.7 1.3 50.2 63 63 A V E +c 31 0A 15 -2,-0.4 2,-0.3 -33,-0.2 -31,-0.2 -0.968 21.6 155.6-124.7 137.5 78.1 4.1 49.5 64 64 A E E -c 32 0A 82 -33,-1.6 -31,-2.4 -2,-0.4 2,-0.1 -0.988 39.2-108.0-156.4 157.3 81.6 3.9 48.0 65 65 A S E > -c 33 0A 19 -2,-0.3 2,-1.6 -33,-0.2 3,-0.7 -0.451 40.9-105.8 -82.7 160.6 84.2 5.9 46.1 66 66 A D T 3 S+ 0 0 31 -33,-1.0 -32,-0.1 1,-0.2 3,-0.1 -0.292 102.0 84.6 -84.4 52.3 84.9 5.1 42.5 67 67 A E T 3 S+ 0 0 126 -2,-1.6 2,-0.5 -34,-0.2 -1,-0.2 0.708 95.1 26.8-116.5 -46.5 88.2 3.5 43.3 68 68 A N X + 0 0 82 -3,-0.7 3,-0.9 1,-0.1 4,-0.1 -0.697 59.7 177.6-122.8 78.0 87.4 -0.1 44.3 69 69 A L G > + 0 0 7 -2,-0.5 3,-2.3 1,-0.3 4,-0.2 0.335 47.5 119.1 -64.0 13.2 84.2 -1.1 42.5 70 70 A R G > + 0 0 192 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.882 70.0 56.1 -44.2 -45.8 84.7 -4.5 44.2 71 71 A I G < S+ 0 0 50 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.707 93.6 69.5 -63.2 -22.3 81.3 -4.0 45.9 72 72 A I G X S+ 0 0 0 -3,-2.3 3,-1.1 -4,-0.1 -1,-0.3 0.412 73.5 118.8 -79.8 4.9 79.5 -3.5 42.6 73 73 A D T < S+ 0 0 58 -3,-1.6 3,-0.1 1,-0.2 41,-0.1 -0.370 71.1 24.1 -70.9 153.0 80.0 -7.1 41.6 74 74 A E T 3 S+ 0 0 158 1,-0.3 -72,-0.3 2,-0.1 -1,-0.2 0.559 83.3 153.2 69.7 10.5 76.9 -9.2 41.0 75 75 A S < - 0 0 8 -3,-1.1 42,-0.3 1,-0.2 -1,-0.3 -0.497 45.6-143.6 -68.5 137.2 74.9 -6.1 40.2 76 76 A D S S- 0 0 71 -74,-2.8 41,-0.8 1,-0.3 2,-0.3 0.831 84.2 -3.2 -70.2 -32.2 72.0 -6.9 37.9 77 77 A V E -bd 3 117A 0 -75,-1.1 -73,-1.7 39,-0.2 2,-0.5 -0.980 62.5-146.5-159.1 149.3 72.6 -3.6 36.2 78 78 A V E -bd 4 118A 0 39,-2.8 41,-2.7 -2,-0.3 2,-0.3 -0.986 16.1-154.4-123.8 120.2 74.9 -0.6 36.7 79 79 A I E -bd 5 119A 0 -75,-3.5 -73,-2.4 -2,-0.5 2,-0.5 -0.681 3.6-154.2 -94.0 148.9 73.5 2.8 35.8 80 80 A I E +bd 6 120A 0 39,-2.0 41,-2.2 -2,-0.3 42,-1.9 -0.930 32.1 151.4-130.3 110.1 75.8 5.7 34.8 81 81 A T + 0 0 27 -75,-2.8 -74,-0.2 -2,-0.5 42,-0.1 0.420 38.5 124.6-110.4 -6.5 74.8 9.3 35.4 82 82 A S + 0 0 17 -76,-1.6 2,-0.2 40,-0.1 40,-0.1 -0.201 34.5 112.9 -55.4 144.3 78.4 10.5 35.8 83 83 A G - 0 0 36 39,-0.1 16,-0.0 19,-0.1 -2,-0.0 -0.771 67.7 -76.2 159.0 155.4 79.3 13.3 33.4 84 84 A V - 0 0 42 -2,-0.2 2,-2.8 11,-0.2 39,-0.1 -0.582 42.9-123.3 -75.0 128.9 80.3 16.9 33.0 85 85 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.005 50.2-113.5 -63.2 37.4 77.3 19.3 33.2 86 86 A R - 0 0 124 -2,-2.8 2,-0.3 9,-0.1 3,-0.1 -0.080 39.5-140.7 54.0-164.6 78.2 20.6 29.7 87 87 A K - 0 0 138 3,-0.2 -1,-0.1 1,-0.2 8,-0.1 -0.906 20.2 -97.3 176.0 155.9 79.3 24.2 29.6 88 88 A E S S+ 0 0 187 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.949 121.8 37.3 -50.5 -63.6 79.1 27.4 27.6 89 89 A G S S+ 0 0 74 -3,-0.1 -1,-0.2 2,-0.0 5,-0.1 0.749 96.3 107.5 -63.0 -24.0 82.4 27.1 25.7 90 90 A M - 0 0 34 4,-0.1 2,-0.2 -3,-0.1 -3,-0.2 -0.278 57.0-156.4 -59.0 136.1 81.8 23.4 25.4 91 91 A S > - 0 0 59 1,-0.1 4,-4.3 -5,-0.1 5,-0.3 -0.698 33.2-100.4-109.3 164.5 80.9 22.2 21.9 92 92 A R H > S+ 0 0 125 1,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.942 128.8 41.1 -49.5 -51.8 79.0 19.0 20.9 93 93 A M H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 115.4 52.2 -63.0 -39.6 82.3 17.4 20.0 94 94 A D H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.917 114.0 42.7 -62.1 -43.8 83.9 18.9 23.0 95 95 A L H X S+ 0 0 12 -4,-4.3 4,-1.9 2,-0.2 5,-0.4 0.915 113.0 52.7 -68.6 -44.3 81.1 17.5 25.2 96 96 A A H X S+ 0 0 0 -4,-3.4 4,-1.9 -5,-0.3 -2,-0.2 0.977 109.8 48.1 -53.7 -60.7 81.2 14.1 23.5 97 97 A K H X S+ 0 0 71 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.844 111.6 50.6 -48.8 -44.3 84.9 13.7 24.0 98 98 A T H >X S+ 0 0 42 -4,-1.6 4,-1.3 -5,-0.2 3,-0.5 0.951 112.7 40.2 -64.6 -56.3 84.8 14.7 27.7 99 99 A N H 3X S+ 0 0 3 -4,-1.9 4,-3.9 1,-0.2 5,-0.4 0.797 106.3 70.7 -65.6 -24.8 82.1 12.4 29.1 100 100 A A H 3X S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.4 5,-0.3 0.928 99.5 45.0 -55.5 -47.5 83.5 9.7 26.8 101 101 A K H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 3,-1.1 0.968 106.8 57.4 -65.8 -53.9 83.2 -2.1 35.9 111 111 A A H 3< S+ 0 0 22 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.788 100.8 58.7 -46.5 -37.3 84.1 -4.7 33.2 112 112 A E H 3< S+ 0 0 162 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.897 105.7 48.1 -61.8 -43.7 87.1 -5.8 35.3 113 113 A I H << S- 0 0 51 -3,-1.1 2,-0.3 -4,-1.0 -2,-0.2 0.874 127.0 -52.9 -65.7 -42.3 84.9 -6.7 38.3 114 114 A C < - 0 0 24 -4,-1.6 2,-0.6 -41,-0.1 -1,-0.2 -0.962 57.9 -74.7-175.7-171.8 82.4 -8.7 36.3 115 115 A D + 0 0 111 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.947 61.3 145.5-111.5 110.8 79.9 -8.9 33.4 116 116 A T - 0 0 5 -2,-0.6 2,-0.4 26,-0.0 -39,-0.2 -0.785 54.7 -82.6-135.4 178.6 76.8 -6.9 34.1 117 117 A K E -d 77 0A 29 -41,-0.8 -39,-2.8 -42,-0.3 2,-0.7 -0.737 38.7-152.5 -85.6 130.9 74.2 -4.7 32.2 118 118 A I E -de 78 143A 0 24,-3.4 26,-2.1 -2,-0.4 2,-0.8 -0.924 7.0-166.5-109.3 113.9 75.5 -1.2 31.8 119 119 A F E -de 79 144A 0 -41,-2.7 -39,-2.0 -2,-0.7 2,-0.6 -0.867 12.1-157.0-101.2 103.6 72.6 1.3 31.5 120 120 A V E +de 80 145A 0 24,-2.6 26,-1.4 -2,-0.8 27,-0.4 -0.744 27.2 160.3 -89.9 117.0 74.2 4.5 30.2 121 121 A I + 0 0 19 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139,-1.5 138,-0.1 -1,-0.3 0.569 98.5 54.8 -87.8 -9.3 73.1 -7.2 24.6 142 142 A Q T <4 S+ 0 0 14 -3,-2.9 -24,-3.4 137,-0.2 2,-0.5 0.529 99.0 64.0-101.4 -8.4 74.6 -5.9 27.9 143 143 A V E < +e 118 0A 0 -4,-0.6 113,-0.5 -3,-0.2 2,-0.3 -0.963 58.1 138.2-125.6 122.0 75.1 -2.2 27.0 144 144 A F E -eF 119 255A 0 -26,-2.1 -24,-2.6 -2,-0.5 2,-0.3 -0.957 29.2-143.9-150.6 164.8 72.2 0.2 26.3 145 145 A G E -eF 120 254A 0 109,-2.4 109,-2.4 -2,-0.3 -24,-0.2 -0.886 34.5 -99.6-135.9 167.6 71.2 3.7 27.1 146 146 A L > + 0 0 12 -26,-1.4 3,-2.3 -2,-0.3 4,-0.4 0.770 66.2 154.6 -53.4 -29.1 68.2 5.9 27.8 147 147 A G T 3 - 0 0 0 -27,-0.4 3,-0.3 1,-0.3 4,-0.3 0.036 69.5 -21.4 38.5-130.1 68.3 7.0 24.2 148 148 A T T 3> S+ 0 0 0 28,-0.2 4,-2.0 1,-0.2 26,-0.5 0.113 104.1 109.1 -95.8 19.9 65.0 8.2 22.8 149 149 A H H <> S+ 0 0 13 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.965 83.8 39.4 -63.3 -50.8 62.8 6.4 25.3 150 150 A L H > S+ 0 0 7 -4,-0.4 4,-2.8 -3,-0.3 -1,-0.2 0.870 113.3 56.0 -67.8 -33.8 61.7 9.5 27.2 151 151 A D H > S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 107.0 52.6 -63.3 -34.3 61.4 11.4 23.9 152 152 A S H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.952 109.6 45.0 -67.0 -47.5 59.0 8.7 22.9 153 153 A L H X S+ 0 0 26 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.923 111.9 54.8 -60.5 -40.5 56.8 8.9 26.0 154 154 A R H X S+ 0 0 34 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.866 109.8 46.1 -58.6 -39.1 56.9 12.7 25.5 155 155 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.853 109.8 55.7 -72.1 -36.3 55.6 12.2 21.9 156 156 A K H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.903 107.5 47.9 -61.6 -46.6 53.0 9.7 23.2 157 157 A V H X S+ 0 0 53 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.965 109.1 52.8 -60.9 -54.2 51.5 12.2 25.6 158 158 A A H X S+ 0 0 29 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.894 114.3 43.1 -47.6 -48.1 51.3 15.0 23.1 159 159 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-0.4 0.966 111.4 50.3 -65.3 -56.9 49.4 12.8 20.7 160 160 A A H X>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.3 4,-1.1 0.848 113.8 49.4 -49.7 -37.4 47.0 11.2 23.1 161 161 A K H <5S+ 0 0 175 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.846 107.5 53.9 -71.9 -35.7 46.3 14.8 24.3 162 162 A F H <5S+ 0 0 38 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.833 117.4 36.1 -68.4 -33.5 45.8 15.9 20.7 163 163 A F H <5S- 0 0 31 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.584 106.5-125.3 -94.6 -12.7 43.2 13.2 20.1 164 164 A G T <5 + 0 0 67 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.937 62.6 135.6 68.1 46.4 41.7 13.3 23.6 165 165 A V < - 0 0 49 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.892 65.3 -80.2-123.9 154.7 42.2 9.6 24.3 166 166 A H > - 0 0 82 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.209 42.3-116.8 -53.9 138.8 43.5 7.8 27.4 167 167 A I G > S+ 0 0 19 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.856 114.2 58.7 -45.6 -41.2 47.3 7.9 27.6 168 168 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -8,-0.0 24,-0.1 0.724 90.0 70.0 -64.5 -24.1 47.3 4.1 27.4 169 169 A E G < S+ 0 0 101 -3,-2.1 23,-4.3 22,-0.1 24,-0.4 0.507 91.9 74.4 -73.5 -4.1 45.5 4.0 24.0 170 170 A V E < +I 191 0B 2 -3,-1.5 2,-0.3 -4,-0.3 21,-0.2 -0.885 49.2 171.9-115.9 144.0 48.6 5.4 22.3 171 171 A R E +I 190 0B 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118,-0.1 -4,-0.4 34,-0.1 -1,-0.3 0.240 76.1 136.7 -89.4 14.7 68.3 14.3 14.4 182 182 A M < - 0 0 11 -3,-2.1 -6,-0.2 -6,-0.2 -4,-0.1 -0.299 46.1-140.8 -60.8 142.6 65.7 12.1 16.2 183 183 A V E -K 175 0C 9 -8,-4.0 -8,-3.3 -6,-0.1 2,-0.4 -0.918 4.3-149.0-114.4 118.3 63.2 10.4 14.0 184 184 A P E -K 174 0C 27 0, 0.0 2,-0.9 0, 0.0 -10,-0.2 -0.688 11.3-146.9 -84.2 133.9 59.5 10.1 14.9 185 185 A L > + 0 0 0 -12,-2.7 3,-1.0 -2,-0.4 -12,-0.4 -0.800 27.5 167.0-104.3 96.5 57.9 6.9 13.5 186 186 A L G > S+ 0 0 24 -2,-0.9 3,-0.7 1,-0.2 11,-0.3 0.503 77.2 70.5 -81.9 -2.0 54.2 7.6 12.7 187 187 A S G 3 S+ 0 0 42 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.634 103.9 40.6 -85.2 -16.1 54.3 4.3 10.8 188 188 A A G < S+ 0 0 39 -3,-1.0 2,-0.5 -15,-0.2 -1,-0.2 -0.193 94.2 108.9-121.1 36.2 54.6 2.5 14.1 189 189 A T < - 0 0 4 -3,-0.7 7,-3.0 -17,-0.1 2,-0.3 -0.954 43.8-179.4-120.6 114.8 52.1 4.7 15.9 190 190 A S E -IJ 171 195B 37 -19,-2.0 -19,-1.5 -2,-0.5 2,-0.6 -0.863 21.1-152.9-115.7 148.6 48.7 3.3 16.8 191 191 A I E > S-IJ 170 194B 7 3,-3.1 3,-1.6 -2,-0.3 -21,-0.2 -0.954 91.8 -21.0-117.1 103.7 45.7 4.9 18.5 192 192 A G T 3 S- 0 0 34 -23,-4.3 -22,-0.1 -2,-0.6 -1,-0.1 0.811 129.2 -52.5 65.0 27.4 43.8 2.1 20.3 193 193 A G T 3 S+ 0 0 57 -24,-0.4 -1,-0.3 1,-0.3 -23,-0.1 0.004 116.0 117.0 97.0 -28.4 45.5 -0.3 17.9 194 194 A I E < S-J 191 0B 66 -3,-1.6 -3,-3.1 1,-0.1 -1,-0.3 -0.611 78.2-106.4 -80.5 126.2 44.4 1.6 14.8 195 195 A P E > -J 190 0B 59 0, 0.0 3,-2.8 0, 0.0 -5,-0.3 -0.232 28.3-125.9 -48.8 128.8 47.2 3.0 12.7 196 196 A I G > S+ 0 0 0 -7,-3.0 3,-1.5 1,-0.3 6,-0.3 0.812 107.7 69.4 -50.7 -31.1 47.2 6.8 13.4 197 197 A Q G 3 S+ 0 0 85 -11,-0.3 -1,-0.3 -8,-0.3 6,-0.1 0.705 84.8 69.0 -61.3 -21.1 47.0 7.3 9.7 198 198 A K G < S+ 0 0 166 -3,-2.8 2,-0.4 4,-0.1 -1,-0.3 0.227 85.8 86.0 -84.2 14.7 43.4 5.9 9.7 199 199 A F X> - 0 0 65 -3,-1.5 3,-0.8 1,-0.1 4,-0.5 -0.962 68.9-147.3-119.0 135.1 42.1 8.9 11.5 200 200 A E G >4 S+ 0 0 151 -2,-0.4 3,-1.6 1,-0.2 4,-0.3 0.938 98.9 61.0 -61.2 -48.8 41.0 12.2 9.9 201 201 A R G >4 S+ 0 0 103 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.706 88.7 75.0 -52.8 -23.2 42.2 14.3 12.8 202 202 A F G X4 S+ 0 0 50 -3,-0.8 3,-3.6 1,-0.3 -1,-0.3 0.919 81.1 67.3 -55.9 -47.2 45.7 13.0 12.2 203 203 A K G << S+ 0 0 159 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.677 103.5 48.1 -47.7 -19.7 46.0 15.2 9.1 204 204 A E G < S+ 0 0 99 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.215 77.0 128.5-109.2 12.5 45.9 18.1 11.7 205 205 A L < - 0 0 11 -3,-3.6 2,-4.2 1,-0.1 3,-0.2 -0.611 62.0-134.5 -74.6 113.6 48.5 16.7 14.1 206 206 A P > + 0 0 50 0, 0.0 4,-2.9 0, 0.0 3,-0.3 -0.151 43.2 161.9 -62.1 50.6 51.1 19.5 14.6 207 207 A I H > + 0 0 46 -2,-4.2 4,-2.2 1,-0.2 5,-0.2 0.798 68.7 47.2 -45.5 -39.1 53.9 16.9 14.2 208 208 A D H > S+ 0 0 117 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 113.4 45.0 -72.7 -45.4 56.6 19.6 13.5 209 209 A E H > S+ 0 0 137 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.905 116.0 50.5 -63.1 -41.4 55.7 21.9 16.4 210 210 A I H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 3,-0.2 0.947 109.1 47.0 -62.0 -53.7 55.5 18.9 18.7 211 211 A I H X S+ 0 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70.6 -65.1 -24.9 62.1 32.7 58.8 414 100 B A H 3X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.919 99.5 45.3 -55.3 -47.1 59.4 34.2 61.0 415 101 B K H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 3,-1.1 0.970 107.0 57.3 -64.6 -54.3 47.6 34.1 51.9 425 111 B A H 3< S+ 0 0 24 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.790 100.7 58.9 -45.8 -38.2 45.0 35.1 54.6 426 112 B E H 3< S+ 0 0 159 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.904 106.0 47.5 -60.8 -44.4 44.0 38.1 52.5 427 113 B I H << S- 0 0 53 -3,-1.1 2,-0.3 -4,-1.0 -2,-0.2 0.875 127.1 -52.1 -65.7 -42.6 43.1 36.0 49.5 428 114 B C < - 0 0 25 -4,-1.6 2,-0.6 -41,-0.1 -1,-0.2 -0.958 57.7 -75.1-175.2-172.0 41.0 33.4 51.5 429 115 B D + 0 0 115 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.947 61.3 145.5-112.0 110.6 40.8 31.0 54.4 430 116 B T - 0 0 5 -2,-0.6 2,-0.4 26,-0.0 -39,-0.2 -0.784 54.8 -83.0-135.3 178.0 42.7 27.8 53.7 431 117 B K E -r 391 0F 29 -41,-0.8 -39,-2.9 -42,-0.3 2,-0.7 -0.736 38.5-152.4 -85.3 131.1 44.8 25.3 55.6 432 118 B I E -rs 392 457F 0 24,-3.3 26,-2.0 -2,-0.4 2,-0.8 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