==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-FEB-12 4DVJ . COMPND 2 MOLECULE: PUTATIVE ZINC-DEPENDENT ALCOHOL DEHYDROGENASE PRO . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR R.AGARWAL,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HELLERICH,A.KAR . 683 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 12.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 1 2 0 3 0 2 2 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 8 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 1 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 0 0 0 0 1 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 19 A Y 0 0 269 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 95.4 20.3 7.4 2 20 A F - 0 0 71 1,-0.0 0, 0.0 26,-0.0 0, 0.0 -0.854 360.0-119.6-100.6 129.0 92.0 20.7 9.4 3 21 A Q - 0 0 59 -2,-0.5 26,-2.6 26,-0.2 2,-0.2 -0.334 44.9-159.1 -54.6 143.2 91.8 20.4 13.2 4 22 A S E -A 28 0A 55 24,-0.3 2,-0.3 22,-0.0 -1,-0.1 -0.793 20.3-167.3-134.9 171.2 89.5 17.5 14.0 5 23 A X E -A 27 0A 14 22,-2.0 22,-2.7 -2,-0.2 2,-0.2 -0.986 29.7-102.8-156.7 152.0 87.2 15.8 16.6 6 24 A K E +A 26 0A 100 -2,-0.3 98,-1.9 20,-0.2 2,-0.3 -0.566 44.8 166.1 -71.5 144.5 85.3 12.7 17.3 7 25 A A E -AB 25 103A 2 18,-2.5 18,-2.7 96,-0.2 2,-0.4 -0.946 32.8-129.2-146.9 169.5 81.6 12.7 16.7 8 26 A V E +A 24 0A 2 94,-2.8 58,-0.4 -2,-0.3 2,-0.3 -0.998 47.2 129.6-119.9 134.5 78.7 10.3 16.4 9 27 A G E -A 23 0A 0 14,-2.2 14,-3.1 -2,-0.4 2,-0.3 -0.899 37.5-130.4-161.6-171.2 76.4 10.5 13.4 10 28 A Y B -C 64 0B 0 54,-2.2 54,-3.5 -2,-0.3 11,-0.1 -0.962 10.8-159.1-151.9 161.8 74.7 8.8 10.4 11 29 A N S S+ 0 0 83 -2,-0.3 -1,-0.1 9,-0.3 10,-0.1 0.412 84.9 50.0-121.1 -6.4 74.2 9.1 6.7 12 30 A K S S- 0 0 146 8,-0.3 -1,-0.2 9,-0.1 45,-0.1 -0.955 82.7-126.0-133.9 116.1 71.0 6.9 6.4 13 31 A P + 0 0 34 0, 0.0 42,-0.2 0, 0.0 41,-0.1 -0.406 51.0 152.6 -56.8 134.1 67.9 7.3 8.6 14 32 A A - 0 0 7 40,-0.9 42,-0.1 7,-0.2 -2,-0.0 -0.992 49.6 -79.5-155.7 165.3 67.2 3.8 10.1 15 33 A P > - 0 0 82 0, 0.0 3,-1.2 0, 0.0 6,-0.1 -0.276 59.3-100.3 -62.5 153.3 65.8 1.7 12.9 16 34 A I T 3 S+ 0 0 23 1,-0.2 6,-0.1 5,-0.1 308,-0.1 0.559 113.4 67.9 -66.2 -12.5 68.2 1.6 15.9 17 35 A T T 3 + 0 0 109 4,-0.1 -1,-0.2 3,-0.1 303,-0.0 0.802 66.7 107.1 -66.9 -39.5 69.5 -1.9 14.9 18 36 A D S X S- 0 0 73 -3,-1.2 3,-2.8 1,-0.2 4,-0.5 -0.162 74.8-128.6 -56.1 139.1 71.4 -1.3 11.7 19 37 A D T 3 S+ 0 0 144 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.866 116.3 47.1 -55.1 -30.0 75.2 -1.4 12.2 20 38 A A T 3 S+ 0 0 42 1,-0.2 -8,-0.3 3,-0.1 -1,-0.3 0.470 77.2 105.6 -87.9 0.4 75.0 1.9 10.5 21 39 A S S < S+ 0 0 0 -3,-2.8 2,-0.3 1,-0.2 -7,-0.2 0.887 102.8 2.4 -50.4 -44.3 72.1 3.4 12.6 22 40 A L S S- 0 0 1 -4,-0.5 2,-0.3 -3,-0.3 -12,-0.2 -0.990 81.1-165.7-136.9 144.4 74.8 5.5 14.4 23 41 A L E -A 9 0A 55 -14,-3.1 -14,-2.2 -2,-0.3 2,-0.4 -0.945 25.6-116.8-131.0 144.3 78.5 5.6 13.6 24 42 A D E +A 8 0A 99 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.661 48.9 168.8 -72.3 131.9 81.7 6.8 15.1 25 43 A I E -A 7 0A 23 -18,-2.7 -18,-2.5 -2,-0.4 2,-0.4 -0.893 34.0-131.6-139.7 169.7 83.2 9.5 12.9 26 44 A E E +A 6 0A 138 -2,-0.3 -20,-0.2 -20,-0.2 77,-0.0 -0.988 30.6 175.6-124.8 132.9 85.8 12.1 12.8 27 45 A L E -A 5 0A 38 -22,-2.7 -22,-2.0 -2,-0.4 2,-0.1 -0.917 38.8 -84.3-130.6 161.4 84.9 15.7 11.6 28 46 A P E -A 4 0A 85 0, 0.0 -24,-0.3 0, 0.0 -25,-0.1 -0.384 46.9-114.8 -60.7 142.5 86.6 18.9 11.3 29 47 A K - 0 0 78 -26,-2.6 -26,-0.2 -2,-0.1 77,-0.1 -0.679 34.6-134.1 -78.8 119.5 86.5 21.0 14.5 30 48 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 -0.229 9.2-145.9 -70.4 166.6 84.4 24.2 13.9 31 49 A A - 0 0 82 6,-0.0 2,-0.3 76,-0.0 76,-0.1 -0.970 23.5-116.3-130.6 142.4 85.3 27.7 15.0 32 50 A P + 0 0 24 0, 0.0 2,-0.2 0, 0.0 45,-0.1 -0.618 31.2 177.7 -89.5 147.4 82.8 30.1 16.1 33 51 A A > + 0 0 67 -2,-0.3 3,-2.0 45,-0.2 45,-0.3 -0.677 54.7 2.8-123.9 179.0 81.8 33.4 14.4 34 52 A G T 3 S- 0 0 23 1,-0.2 46,-1.9 -2,-0.2 47,-0.6 -0.126 129.4 -18.5 53.6-130.5 79.2 36.0 15.2 35 53 A H T 3 S+ 0 0 64 45,-0.2 75,-3.2 44,-0.1 -1,-0.2 0.169 106.3 114.9 -93.4 11.6 77.2 35.3 18.4 36 54 A D E < -D 109 0C 21 -3,-2.0 42,-2.7 73,-0.3 2,-0.3 -0.559 49.9-155.0 -80.5 151.4 78.1 31.6 18.6 37 55 A I E -DE 108 77C 0 71,-3.1 71,-1.9 40,-0.2 2,-0.5 -0.835 14.7-132.8-112.4 155.2 80.1 30.0 21.4 38 56 A L E -DE 107 76C 4 38,-3.5 37,-2.7 -2,-0.3 38,-1.5 -0.975 24.4-156.2-107.0 129.0 82.1 26.8 20.8 39 57 A V E -DE 106 74C 0 67,-3.1 67,-1.8 -2,-0.5 2,-0.8 -0.805 17.6-139.6-113.7 131.6 81.5 24.3 23.6 40 58 A E E -DE 105 73C 75 33,-3.6 33,-2.4 -2,-0.4 2,-0.4 -0.852 37.3-131.5 -87.4 114.7 83.8 21.5 24.6 41 59 A V E + E 0 72C 4 63,-3.0 31,-0.2 -2,-0.8 3,-0.1 -0.512 35.8 170.3 -82.6 120.7 81.1 18.9 25.3 42 60 A K E - 0 0 62 29,-2.2 297,-2.7 -2,-0.4 2,-0.3 0.777 69.4 -2.5 -91.4 -35.1 81.3 16.9 28.6 43 61 A A E -FE 338 71C 0 28,-1.5 28,-1.9 295,-0.2 -1,-0.3 -0.980 58.0-165.7-158.3 148.8 77.9 15.0 28.6 44 62 A V E -FE 337 70C 0 293,-2.6 293,-2.8 -2,-0.3 2,-0.3 -0.913 11.9-143.1-130.2 155.1 74.8 14.8 26.4 45 63 A S E -F 336 0C 0 24,-0.5 23,-0.5 -2,-0.3 2,-0.4 -0.861 15.1-128.7-112.5 161.6 71.2 13.4 27.0 46 64 A V - 0 0 2 289,-1.6 289,-0.5 -2,-0.3 3,-0.0 -0.920 27.4-178.0-107.4 138.6 69.0 11.6 24.5 47 65 A N >> - 0 0 1 -2,-0.4 3,-1.2 287,-0.1 4,-0.8 -0.741 45.4 -96.7-127.0 168.4 65.4 12.8 24.1 48 66 A P H 3> S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.871 121.1 66.9 -62.0 -34.5 62.6 11.4 22.0 49 67 A V H 3> S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.842 92.9 63.8 -50.1 -35.7 63.4 14.0 19.3 50 68 A D H <> S+ 0 0 1 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.941 108.9 36.4 -53.5 -51.2 66.8 12.1 18.8 51 69 A Y H X S+ 0 0 37 -4,-0.8 4,-2.4 -3,-0.4 -2,-0.2 0.853 115.1 56.2 -78.3 -25.8 65.1 8.9 17.7 52 70 A K H X S+ 0 0 65 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.925 113.3 41.0 -66.3 -41.6 62.4 10.8 15.8 53 71 A V H >X S+ 0 0 12 -4,-2.8 4,-2.6 -5,-0.2 3,-0.9 0.947 114.2 52.0 -65.8 -47.1 65.1 12.6 13.8 54 72 A R H 3< S+ 0 0 0 -4,-2.5 -40,-0.9 1,-0.3 -2,-0.2 0.848 109.3 50.2 -62.4 -39.2 67.3 9.5 13.4 55 73 A R H 3< S+ 0 0 124 -4,-2.4 -1,-0.3 -42,-0.2 -2,-0.2 0.758 127.1 17.9 -63.5 -30.8 64.4 7.5 12.0 56 74 A S H << S+ 0 0 76 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.647 101.6 75.2-122.2 -26.5 63.3 10.0 9.4 57 75 A T < - 0 0 58 -4,-2.6 -1,-0.1 -5,-0.1 7,-0.0 -0.879 50.7-163.6-118.6 117.1 65.8 12.8 8.4 58 76 A P 0 0 75 0, 0.0 -46,-0.1 0, 0.0 -47,-0.1 -0.393 360.0 360.0 -81.0 170.5 68.8 12.4 6.2 59 77 A P 0 0 73 0, 0.0 4,-0.1 0, 0.0 -47,-0.1 0.812 360.0 360.0 -64.6 360.0 71.7 14.8 5.9 60 ! 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 61 80 A T 0 0 121 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.6 76.2 17.5 5.0 62 81 A D + 0 0 79 1,-0.2 2,-0.4 -3,-0.0 0, 0.0 0.794 360.0 26.6 -73.5 -38.9 78.0 14.2 4.3 63 82 A W S S- 0 0 82 -4,-0.1 2,-0.5 -5,-0.1 -1,-0.2 -0.953 76.6-138.0-124.9 145.8 77.2 13.1 7.9 64 83 A K B -C 10 0B 39 -54,-3.5 -54,-2.2 -2,-0.4 2,-0.5 -0.912 15.8-167.5-103.8 129.0 74.3 14.1 10.2 65 84 A V + 0 0 11 -2,-0.5 35,-2.6 -56,-0.2 -56,-0.2 -0.962 12.0 176.3-112.4 127.4 75.1 14.7 13.9 66 85 A I + 0 0 0 -2,-0.5 36,-2.6 -58,-0.4 -58,-0.2 -0.233 21.5 126.2-114.8-159.8 72.2 15.0 16.3 67 86 A G - 0 0 1 33,-0.3 34,-2.5 34,-0.2 35,-0.2 0.427 30.3-161.6 104.4 121.7 71.9 15.4 20.1 68 87 A Y + 0 0 2 -23,-0.5 2,-0.3 32,-0.2 62,-0.2 -0.204 67.8 58.2-128.2 41.5 69.9 18.2 21.7 69 88 A D + 0 0 0 -24,-0.2 -24,-0.5 60,-0.1 2,-0.3 -0.887 57.3 153.3-164.2 134.6 71.2 18.5 25.2 70 89 A A E -EG 44 92C 0 22,-2.2 22,-1.9 -2,-0.3 2,-0.3 -0.983 27.0-157.6-157.5 156.1 74.7 19.1 26.5 71 90 A A E +EG 43 91C 0 -28,-1.9 -29,-2.2 -2,-0.3 -28,-1.5 -0.970 41.2 121.6-126.3 146.1 76.7 20.4 29.4 72 91 A G E -EG 41 90C 0 18,-2.6 18,-2.7 -2,-0.3 2,-0.4 -0.969 55.2 -68.4-173.6-169.0 80.3 21.6 28.8 73 92 A I E -EG 40 89C 41 -33,-2.4 -33,-3.6 -2,-0.3 2,-0.6 -0.896 43.3-115.9-107.8 135.4 83.0 24.2 28.9 74 93 A V E +E 39 0C 2 14,-2.6 13,-3.0 -2,-0.4 -35,-0.2 -0.627 35.1 177.3 -66.7 110.5 83.1 27.3 26.6 75 94 A S E - 0 0 48 -37,-2.7 2,-0.3 -2,-0.6 -36,-0.2 0.830 64.8 -8.2 -82.0 -43.9 86.3 26.5 24.5 76 95 A A E -E 38 0C 32 -38,-1.5 -38,-3.5 9,-0.1 2,-0.3 -0.960 62.9-142.7-151.8 163.9 86.0 29.7 22.2 77 96 A V E -E 37 0C 48 -2,-0.3 -40,-0.2 -40,-0.3 -43,-0.1 -0.955 22.7-112.4-131.6 148.0 83.6 32.5 21.5 78 97 A G > - 0 0 3 -42,-2.7 3,-1.2 -2,-0.3 -45,-0.2 -0.305 39.9-106.0 -68.2 162.5 82.5 34.4 18.4 79 98 A P T 3 S+ 0 0 110 0, 0.0 -44,-0.1 0, 0.0 -1,-0.1 0.751 118.1 53.7 -71.8 -20.1 83.6 38.1 18.2 80 99 A D T 3 S+ 0 0 90 -46,-1.9 2,-0.3 -44,-0.1 -45,-0.2 0.424 83.1 116.2 -88.9 1.3 80.0 39.4 18.9 81 100 A V < + 0 0 19 -3,-1.2 -45,-0.1 -47,-0.6 -46,-0.1 -0.535 23.1 155.7 -74.3 132.7 79.6 37.3 22.1 82 101 A T + 0 0 118 -2,-0.3 -1,-0.2 -47,-0.1 -47,-0.0 0.476 61.9 69.4-119.1 -14.3 79.1 39.1 25.4 83 102 A L S S+ 0 0 92 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.683 105.4 22.4 -86.1 -18.8 77.2 36.5 27.6 84 103 A F - 0 0 10 4,-0.0 -1,-0.1 31,-0.0 26,-0.1 -0.980 59.7-159.5-140.7 159.7 80.0 34.0 28.1 85 104 A R > - 0 0 169 -2,-0.3 3,-2.3 1,-0.0 -11,-0.2 -0.910 45.1 -72.5-137.1 163.8 83.7 33.7 27.9 86 105 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.245 120.0 32.9 -56.8 141.7 86.2 30.8 27.5 87 106 A G T 3 S+ 0 0 52 -13,-3.0 -12,-0.1 1,-0.3 -11,-0.0 -0.003 85.5 130.8 96.7 -25.2 86.3 28.7 30.7 88 107 A D < - 0 0 37 -3,-2.3 -14,-2.6 -14,-0.1 2,-0.5 -0.285 57.6-127.4 -61.7 146.7 82.6 29.3 31.6 89 108 A E E +G 73 0C 82 -16,-0.2 27,-2.5 27,-0.1 2,-0.3 -0.859 38.2 177.9-101.4 133.5 80.6 26.2 32.4 90 109 A V E -GH 72 115C 0 -18,-2.7 -18,-2.6 -2,-0.5 2,-0.3 -0.887 25.9-165.5-137.9 156.9 77.3 25.9 30.4 91 110 A F E +GH 71 114C 0 23,-2.7 23,-2.5 -2,-0.3 2,-0.3 -0.992 26.7 134.9-142.4 153.5 74.3 23.8 29.7 92 111 A Y E -G 70 0C 0 -22,-1.9 -22,-2.2 -2,-0.3 38,-0.3 -0.970 47.1-128.3-177.6 171.3 71.8 24.1 26.8 93 112 A A - 0 0 1 19,-0.5 2,-0.2 -2,-0.3 8,-0.2 0.731 40.8-163.4-110.7 -38.9 69.8 22.2 24.2 94 113 A G - 0 0 4 18,-0.4 2,-0.4 15,-0.1 -1,-0.2 -0.577 29.9 -45.0 89.6-150.7 70.6 24.0 21.0 95 114 A S > - 0 0 10 -2,-0.2 3,-1.5 4,-0.2 179,-0.1 -0.978 24.8-140.4-137.3 137.1 68.7 23.9 17.6 96 115 A I T 3 S+ 0 0 47 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.668 104.3 57.9 -71.5 -17.5 67.2 21.2 15.4 97 116 A I T 3 S+ 0 0 106 177,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.205 101.4 66.3 -98.2 15.7 68.5 23.0 12.2 98 117 A R S < S- 0 0 75 -3,-1.5 -3,-0.1 -33,-0.0 180,-0.0 -0.958 102.1 -82.3-129.5 155.8 72.2 23.0 13.4 99 118 A P - 0 0 98 0, 0.0 -33,-0.2 0, 0.0 -4,-0.2 -0.286 60.6-116.6 -51.8 143.6 74.6 20.0 13.9 100 119 A G - 0 0 3 -35,-2.6 -33,-0.3 -4,-0.1 -32,-0.2 0.053 19.5 -94.4 -84.3-173.0 73.9 18.5 17.3 101 120 A T S S+ 0 0 0 -34,-2.5 2,-2.3 -8,-0.2 -34,-0.2 0.457 88.5 107.0 -85.6 2.4 75.8 18.0 20.6 102 121 A N + 0 0 0 -36,-2.6 -94,-2.8 -35,-0.2 2,-0.3 -0.292 69.8 73.4 -77.2 58.2 77.0 14.4 19.7 103 122 A A B S-B 7 0A 3 -2,-2.3 -62,-0.3 -96,-0.3 -96,-0.2 -0.973 91.9-105.7-164.1 152.5 80.6 15.7 19.2 104 123 A E S S+ 0 0 52 -98,-1.9 -63,-3.0 -2,-0.3 2,-0.4 0.849 109.0 33.1 -59.7 -36.1 83.6 16.9 21.2 105 124 A F E S-D 40 0C 28 -99,-0.3 2,-0.4 -65,-0.2 -65,-0.2 -0.978 72.1-175.9-125.7 143.1 83.0 20.5 20.1 106 125 A H E -D 39 0C 11 -67,-1.8 -67,-3.1 -2,-0.4 2,-0.4 -0.999 18.9-138.8-141.9 136.6 79.7 22.1 19.4 107 126 A L E +D 38 0C 38 -2,-0.4 2,-0.3 -69,-0.2 -69,-0.2 -0.797 31.6 160.4 -89.0 131.9 78.5 25.5 18.1 108 127 A V E -D 37 0C 3 -71,-1.9 -71,-3.1 -2,-0.4 2,-0.2 -0.986 43.9 -99.4-151.0 152.1 75.5 27.1 19.7 109 128 A D E > -D 36 0C 22 -2,-0.3 3,-1.9 -73,-0.3 -73,-0.3 -0.428 27.8-130.2 -75.2 132.5 74.2 30.7 19.9 110 129 A E G > S+ 0 0 7 -75,-3.2 3,-1.2 1,-0.2 -1,-0.1 0.783 101.6 66.3 -50.9 -30.2 75.1 32.5 23.1 111 130 A R G 3 S+ 0 0 88 1,-0.3 177,-1.5 -76,-0.2 178,-0.3 0.592 100.9 45.7 -74.5 -14.6 71.4 33.6 23.5 112 131 A I G < S+ 0 0 5 -3,-1.9 -19,-0.5 175,-0.2 -18,-0.4 0.166 95.0 101.3-111.4 16.2 70.0 30.1 24.1 113 132 A V < - 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0 0 41 -5,-0.5 3,-2.1 -6,-0.3 -4,-0.2 0.980 17.3-172.8 57.1 59.8 50.1 31.0 30.6 145 164 A V T 3 S+ 0 0 5 -6,-2.5 -5,-0.1 1,-0.3 -1,-0.1 0.613 71.8 71.4 -65.6 -12.9 49.2 29.1 33.9 146 165 A N T 3 S+ 0 0 115 -7,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.593 84.4 78.2 -79.4 -5.0 49.4 32.4 35.9 147 166 A K S < S- 0 0 81 -3,-2.1 -1,-0.1 -4,-0.1 0, 0.0 -0.891 87.9-134.2-103.1 110.8 46.2 33.4 34.2 148 167 A P - 0 0 108 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.178 3.5-129.1 -70.0 151.2 43.3 31.5 36.0 149 168 A V > - 0 0 7 4,-0.1 3,-2.0 -4,-0.1 96,-0.1 -0.900 39.7-109.1 -91.5 119.1 40.5 29.7 34.3 150 169 A P T 3 S- 0 0 53 0, 0.0 477,-0.1 0, 0.0 3,-0.1 -0.210 96.4 -0.1 -52.4 125.6 37.2 31.0 35.9 151 170 A G T 3 S+ 0 0 69 1,-0.2 69,-0.3 474,-0.1 2,-0.1 0.306 101.9 122.9 79.9 -10.5 35.5 28.3 38.1 152 171 A A S < S- 0 0 17 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.1 -0.465 74.6 -97.9 -79.2 155.5 38.2 25.6 37.4 153 172 A A E -j 221 0D 9 67,-3.0 2,-2.3 -2,-0.1 69,-2.1 -0.566 38.7-116.2 -62.8 140.7 40.2 23.9 40.1 154 173 A P E S+ 0 0 91 0, 0.0 26,-2.4 0, 0.0 2,-0.3 -0.508 79.6 114.0 -81.0 74.8 43.6 25.8 40.4 155 174 A A E - k 0 180D 0 -2,-2.3 68,-1.7 24,-0.3 67,-0.5 -0.942 56.1-147.3-147.8 153.5 45.3 22.6 39.3 156 175 A I E -jk 223 181D 0 24,-2.3 26,-3.1 -2,-0.3 2,-0.6 -0.999 11.1-147.7-131.7 130.4 47.4 21.2 36.5 157 176 A L E -jk 224 182D 0 66,-2.5 68,-3.5 -2,-0.4 2,-0.6 -0.909 10.6-163.9 -93.1 126.0 47.3 17.6 35.4 158 177 A I E -jk 225 183D 0 24,-3.0 26,-1.7 -2,-0.6 2,-0.6 -0.937 8.8-151.7-112.5 116.2 50.7 16.3 34.0 159 178 A V E S+j 226 0D 0 66,-2.4 68,-2.4 -2,-0.6 69,-0.3 -0.811 81.2 22.6 -96.5 122.4 50.3 13.1 32.1 160 179 A G S > S+ 0 0 7 -2,-0.6 3,-1.3 67,-0.1 6,-0.4 0.885 71.2 176.2 86.7 57.4 53.5 11.0 32.2 161 180 A G T 3 S+ 0 0 0 23,-1.9 9,-0.2 -3,-0.4 24,-0.2 0.663 74.4 50.3 -61.6 -24.7 55.0 12.5 35.5 162 181 A A T 3 S+ 0 0 14 22,-0.5 171,-2.4 4,-0.2 -1,-0.2 0.376 91.3 95.7-103.9 3.5 58.0 10.1 35.6 163 182 A G S <> S- 0 0 24 -3,-1.3 4,-2.7 169,-0.2 170,-0.2 -0.120 95.2 -83.0 -82.8-174.3 59.2 10.6 31.9 164 183 A G H > S+ 0 0 21 1,-0.2 4,-0.8 2,-0.2 5,-0.2 0.969 129.1 28.0 -58.5 -60.3 62.0 13.0 30.7 165 184 A V H >> S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.932 120.2 56.1 -70.2 -43.8 59.8 16.1 30.5 166 185 A G H 3> S+ 0 0 0 -6,-0.4 4,-2.7 1,-0.2 5,-0.3 0.945 100.6 58.5 -54.8 -46.0 57.3 15.0 33.2 167 186 A S H 3< S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.794 117.7 31.1 -60.8 -27.2 60.0 14.5 35.9 168 187 A I H S+ 0 0 0 -4,-0.4 4,-2.8 -5,-0.3 5,-0.2 0.920 112.2 48.0 -66.5 -41.8 59.1 20.2 39.8 172 191 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.941 112.9 49.1 -68.9 -37.8 58.9 23.4 37.9 173 192 A A H X S+ 0 0 1 -4,-3.0 4,-0.9 -5,-0.2 6,-0.3 0.917 114.5 46.8 -63.6 -38.9 55.1 23.5 38.4 174 193 A R H < S+ 0 0 97 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.913 119.6 37.7 -69.8 -38.0 55.5 22.8 42.2 175 194 A Q H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.634 123.0 38.1 -90.0 -21.4 58.3 25.4 42.7 176 195 A R H < S+ 0 0 90 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.342 116.5 36.3-118.8 2.7 57.1 28.2 40.4 177 196 A T < - 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