==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAY-12 4F4R . COMPND 2 MOLECULE: D-MANNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOHALOBACTER SALEXIGENS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 408 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 3 2 0 0 0 0 3 0 3 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 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 0 PARALLEL BRIDGES PER LADDER . 4 1 1 0 1 0 0 1 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 3 0 0 0 0 0 1 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 -4 A Y > 0 0 204 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.8 -62.2 111.0 54.5 2 -3 A F H > + 0 0 101 1,-0.2 4,-1.3 2,-0.2 29,-0.1 0.839 360.0 52.5 -60.9 -35.1 -61.8 108.3 51.8 3 -2 A Q H >> S+ 0 0 117 2,-0.2 4,-0.6 1,-0.2 3,-0.6 0.953 109.6 46.3 -66.7 -51.1 -63.7 105.8 54.0 4 -1 A S H >4 S+ 0 0 62 1,-0.2 3,-0.9 2,-0.2 26,-0.3 0.893 112.6 53.1 -58.1 -38.0 -66.7 108.1 54.5 5 0 A M H 3< S+ 0 0 43 -4,-2.3 26,-2.1 1,-0.2 27,-0.3 0.778 107.7 50.2 -66.6 -28.9 -66.6 108.9 50.8 6 1 A M H << S+ 0 0 7 -4,-1.3 59,-2.8 -3,-0.6 -1,-0.2 0.431 81.3 118.6 -92.4 -1.2 -66.7 105.1 49.9 7 2 A K B << S-A 64 0A 103 -3,-0.9 23,-2.2 -4,-0.6 2,-0.5 -0.441 77.2-106.9 -63.4 134.4 -69.7 104.4 52.1 8 3 A I E +B 29 0B 1 55,-3.0 54,-2.5 52,-0.3 21,-0.3 -0.561 39.8 175.9 -72.5 118.6 -72.6 103.2 50.0 9 4 A R E - 0 0 120 19,-2.7 2,-0.3 -2,-0.5 20,-0.2 0.859 66.0 -3.1 -86.9 -44.9 -75.3 105.9 49.7 10 5 A D E -B 28 0B 77 18,-2.0 18,-3.4 50,-0.1 -1,-0.3 -0.983 55.0-175.9-149.7 155.7 -77.6 104.1 47.3 11 6 A A E +B 27 0B 4 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.958 18.3 149.7-153.7 138.7 -77.9 100.8 45.4 12 7 A Y E -B 26 0B 63 14,-2.1 14,-3.1 -2,-0.3 2,-0.3 -0.989 36.3-111.5-164.9 161.4 -80.6 99.7 42.9 13 8 A T E -B 25 0B 25 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.680 17.8-155.2 -99.8 155.0 -81.4 97.6 39.9 14 9 A I E -B 24 0B 21 10,-2.5 10,-2.5 -2,-0.3 2,-0.5 -1.000 6.4-163.0-128.7 129.5 -82.3 98.8 36.4 15 10 A V E +B 23 0B 46 -2,-0.4 2,-0.3 8,-0.2 375,-0.2 -0.959 20.0 159.9-115.7 127.6 -84.3 96.5 34.0 16 11 A T E -B 22 0B 0 6,-2.3 6,-2.8 -2,-0.5 375,-0.1 -0.984 31.6-155.1-147.6 152.8 -84.4 97.4 30.3 17 12 A C + 0 0 12 371,-2.4 2,-1.9 368,-0.4 4,-0.2 -0.517 24.0 160.1-130.0 66.7 -85.1 95.7 27.0 18 13 A P S S- 0 0 0 0, 0.0 335,-0.4 0, 0.0 332,-0.2 -0.386 96.3 -29.5 -84.2 63.2 -83.2 97.5 24.2 19 14 A G S S+ 0 0 56 -2,-1.9 2,-0.3 333,-0.1 -2,-0.1 -0.081 143.3 7.3 115.4 -32.0 -83.5 94.5 21.8 20 15 A R S S- 0 0 15 301,-0.1 2,-0.2 330,-0.0 -4,-0.0 -0.941 97.4 -70.1-167.5 168.2 -83.4 91.9 24.7 21 16 A N + 0 0 2 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.455 44.1 175.2 -75.2 135.9 -83.6 92.0 28.5 22 17 A F E -B 16 0B 0 -6,-2.8 -6,-2.3 -2,-0.2 2,-0.4 -0.995 14.4-160.2-131.9 144.0 -80.7 93.2 30.7 23 18 A V E -B 15 0B 0 -2,-0.4 16,-2.8 -8,-0.2 2,-0.4 -0.992 15.6-174.4-118.6 130.5 -80.6 93.7 34.4 24 19 A T E -BC 14 38B 0 -10,-2.5 -10,-2.5 -2,-0.4 2,-0.5 -0.971 16.5-145.5-127.5 140.1 -78.0 96.0 35.9 25 20 A L E -BC 13 37B 0 12,-2.7 12,-2.1 -2,-0.4 2,-0.5 -0.906 14.4-164.6-101.9 130.4 -77.0 96.8 39.4 26 21 A K E -BC 12 36B 26 -14,-3.1 -14,-2.1 -2,-0.5 2,-0.5 -0.958 3.0-168.6-114.9 131.8 -75.9 100.4 40.2 27 22 A I E -BC 11 35B 0 8,-2.9 8,-2.3 -2,-0.5 2,-0.5 -0.979 5.0-164.2-119.0 125.0 -74.0 101.2 43.5 28 23 A V E -BC 10 34B 14 -18,-3.4 -19,-2.7 -2,-0.5 -18,-2.0 -0.936 6.3-151.6-114.6 126.4 -73.6 104.9 44.4 29 24 A T E > -B 8 0B 0 4,-2.6 3,-1.8 -2,-0.5 -21,-0.2 -0.427 32.6-105.4 -89.9 166.8 -71.1 106.0 47.1 30 25 A E T 3 S+ 0 0 77 -23,-2.2 -24,-0.2 -26,-0.3 -25,-0.1 0.802 120.6 62.9 -59.4 -27.2 -71.3 109.1 49.3 31 26 A S T 3 S- 0 0 46 -26,-2.1 -1,-0.3 -24,-0.2 3,-0.1 0.680 117.2-113.9 -71.1 -17.9 -68.6 110.7 47.1 32 27 A G S < S+ 0 0 35 -3,-1.8 2,-0.2 1,-0.4 -2,-0.1 0.067 76.8 130.3 102.6 -22.9 -71.0 110.5 44.1 33 28 A T - 0 0 49 -28,-0.2 -4,-2.6 -5,-0.1 -1,-0.4 -0.464 39.6-167.7 -64.4 131.0 -68.9 108.0 42.3 34 29 A H E -C 28 0B 30 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.807 13.6-158.8-118.7 162.7 -70.9 105.0 41.1 35 30 A G E -C 27 0B 0 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.3 -0.966 6.8-155.3-133.7 153.0 -70.2 101.6 39.8 36 31 A I E -C 26 0B 0 -2,-0.3 2,-0.3 60,-0.3 -10,-0.2 -0.949 6.3-170.4-128.1 153.6 -72.4 99.2 37.7 37 32 A G E -C 25 0B 0 -12,-2.1 -12,-2.7 -2,-0.3 2,-0.3 -0.995 28.7-109.7-141.3 145.4 -72.4 95.5 37.3 38 33 A D E +C 24 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.2 -0.568 32.6 170.4 -75.7 136.4 -74.2 93.1 35.0 39 34 A A + 0 0 0 -16,-2.8 2,-0.4 -2,-0.3 -15,-0.2 0.041 27.1 139.4-130.4 21.5 -76.9 91.0 36.6 40 35 A T + 0 0 0 -17,-0.3 2,-0.5 49,-0.1 -18,-0.1 -0.583 24.6 178.4 -80.2 123.7 -78.5 89.5 33.5 41 36 A L > - 0 0 20 -2,-0.4 3,-2.4 282,-0.0 6,-0.2 -0.904 35.3-122.7-124.0 101.2 -79.5 85.8 33.7 42 37 A N T 3 S+ 0 0 16 -2,-0.5 353,-0.2 1,-0.3 352,-0.1 -0.118 88.4 0.8 -55.0 123.3 -81.1 84.9 30.3 43 38 A G T 3 S+ 0 0 10 350,-0.3 -1,-0.3 351,-0.1 -3,-0.0 0.392 132.0 57.9 83.6 -4.4 -84.7 83.5 30.7 44 39 A R X> + 0 0 164 -3,-2.4 3,-1.6 350,-0.1 4,-1.0 -0.042 64.9 136.3-138.0 30.1 -84.7 83.9 34.5 45 40 A E H 3> + 0 0 3 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.808 66.3 53.6 -57.0 -38.8 -84.0 87.6 34.7 46 41 A M H 3> S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.690 97.7 65.2 -77.3 -15.8 -86.5 88.5 37.4 47 42 A A H <> S+ 0 0 46 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.916 108.1 41.1 -66.9 -43.4 -85.2 85.9 39.8 48 43 A V H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.3 5,-0.2 0.896 111.5 56.2 -70.8 -41.0 -81.9 87.8 40.0 49 44 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.914 112.5 42.3 -55.5 -44.1 -83.7 91.1 40.1 50 45 A A H X>S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 5,-0.6 0.877 109.7 56.3 -72.0 -39.8 -85.6 90.0 43.2 51 46 A Y H X>S+ 0 0 51 -4,-2.1 4,-1.3 2,-0.2 5,-1.2 0.945 117.6 37.1 -54.9 -47.2 -82.6 88.4 44.8 52 47 A L H X>S+ 0 0 0 -4,-2.8 5,-3.1 3,-0.2 4,-0.9 0.974 118.8 46.1 -68.4 -56.3 -80.9 91.8 44.5 53 48 A D H <5S+ 0 0 75 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.873 124.3 28.9 -58.5 -43.7 -83.8 94.1 45.2 54 49 A E H <5S+ 0 0 132 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.762 134.4 18.6 -94.2 -26.8 -85.2 92.3 48.3 55 50 A H H <X> -A 7 0A 43 -57,-0.2 3,-1.7 1,-0.2 -57,-0.2 -0.751 26.2-155.3 -83.0 113.6 -67.7 100.4 52.7 65 60 A A T 3 S+ 0 0 1 -59,-2.8 -1,-0.2 -2,-0.7 37,-0.2 0.730 88.5 69.2 -65.5 -20.1 -67.6 100.0 48.9 66 61 A G T 3 S+ 0 0 16 1,-0.2 2,-1.8 -63,-0.1 3,-0.3 0.688 77.6 84.0 -70.5 -18.0 -63.9 99.6 49.1 67 62 A R <> + 0 0 133 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 -0.493 50.4 154.9 -87.9 71.4 -64.2 96.3 50.9 68 63 A I H > S+ 0 0 8 -2,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.944 71.4 45.5 -63.4 -51.1 -64.6 94.2 47.8 69 64 A E H > S+ 0 0 79 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.934 113.5 48.9 -60.3 -49.7 -63.3 90.9 49.2 70 65 A D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.906 112.1 49.4 -58.2 -42.7 -65.3 91.2 52.5 71 66 A T H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.908 109.3 52.0 -63.1 -42.8 -68.5 92.0 50.5 72 67 A W H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.944 115.4 41.1 -58.9 -47.0 -68.0 89.0 48.2 73 68 A Q H X>S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 5,-1.0 0.891 111.5 56.8 -70.2 -38.3 -67.6 86.7 51.2 74 69 A Y H X5S+ 0 0 114 -4,-2.9 4,-0.7 -5,-0.3 -1,-0.2 0.897 116.1 36.3 -57.8 -41.2 -70.4 88.3 53.1 75 70 A L H X5S+ 0 0 14 -4,-2.4 4,-1.0 3,-0.2 -2,-0.2 0.867 121.1 45.5 -82.5 -37.0 -72.8 87.6 50.2 76 71 A Y H <5S+ 0 0 22 -4,-2.6 4,-0.2 -5,-0.3 -3,-0.2 0.966 127.9 25.3 -72.1 -53.8 -71.4 84.2 49.2 77 72 A R H ><5S+ 0 0 150 -4,-2.5 3,-1.6 -5,-0.2 -3,-0.2 0.873 120.2 58.5 -74.9 -39.4 -71.1 82.7 52.7 78 73 A G H 3< - 0 0 21 3,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.088 69.5 -85.7 107.5 153.7 -76.1 78.6 41.9 85 80 A P H > S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.878 124.4 40.7 -65.7 -41.3 -77.0 80.7 38.8 86 81 A V H > S+ 0 0 38 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.958 119.3 47.2 -70.8 -47.6 -79.3 83.2 40.6 87 82 A T H > S+ 0 0 19 -4,-0.3 4,-2.0 1,-0.2 5,-0.1 0.932 115.4 42.2 -55.3 -53.1 -77.0 83.5 43.6 88 83 A M H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 208,-0.4 0.787 110.9 56.0 -76.3 -24.9 -73.7 83.9 41.8 89 84 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.898 108.3 48.6 -69.8 -40.5 -75.1 86.3 39.2 90 85 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 113.5 47.0 -61.4 -45.1 -76.3 88.6 42.0 91 86 A I H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.910 110.2 53.1 -63.6 -41.2 -72.9 88.4 43.7 92 87 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 201,-0.3 206,-0.3 0.872 105.8 54.2 -59.3 -40.5 -71.2 89.1 40.3 93 88 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 200,-0.2 -1,-0.2 0.930 111.9 43.5 -62.8 -46.1 -73.3 92.2 39.8 94 89 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.947 115.4 49.4 -60.9 -48.6 -72.2 93.6 43.2 95 90 A D H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.908 110.6 48.8 -60.9 -44.6 -68.6 92.6 42.6 96 91 A M H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -60,-0.3 0.901 112.0 49.8 -62.6 -41.2 -68.4 94.1 39.1 97 92 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.882 110.9 49.3 -65.1 -39.0 -69.9 97.4 40.5 98 93 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.880 110.6 49.0 -71.2 -37.6 -67.4 97.5 43.3 99 94 A W H X S+ 0 0 45 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.887 109.0 54.7 -65.3 -36.8 -64.4 96.9 41.0 100 95 A D H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.957 111.3 44.7 -56.7 -51.4 -65.8 99.7 38.8 101 96 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.900 111.6 52.2 -59.8 -43.6 -65.8 102.0 41.8 102 97 A K H X S+ 0 0 65 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.913 110.6 47.5 -62.7 -42.1 -62.3 100.9 43.0 103 98 A A H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.7 0.908 112.3 49.4 -66.5 -41.9 -60.9 101.6 39.5 104 99 A K H ><5S+ 0 0 58 -4,-2.3 3,-1.0 270,-0.2 -2,-0.2 0.929 110.9 50.1 -61.2 -43.6 -62.5 105.0 39.4 105 100 A A H 3<5S+ 0 0 45 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 112.0 47.9 -64.5 -30.9 -61.2 105.8 42.8 106 101 A A H 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.532 109.8-125.8 -84.6 -9.3 -57.7 104.8 41.8 107 102 A G T <<5S+ 0 0 50 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.788 71.1 116.3 68.7 29.3 -58.0 106.8 38.6 108 103 A M S > -d 375 0C 11 0, 0.0 3,-1.4 0, 0.0 4,-1.1 -0.422 47.3-105.9 -61.5 151.6 -58.8 101.7 33.8 110 105 A L H >> S+ 0 0 1 265,-2.3 4,-1.6 263,-0.4 3,-0.6 0.854 116.4 61.1 -53.6 -42.0 -59.7 98.3 35.4 111 106 A Y H 3>>S+ 0 0 9 1,-0.3 5,-2.3 260,-0.2 4,-0.6 0.821 101.3 55.3 -59.2 -29.3 -56.9 96.3 33.6 112 107 A Q H X45S+ 0 0 88 -3,-1.4 3,-0.8 1,-0.2 -1,-0.3 0.895 105.6 51.4 -67.8 -39.8 -54.3 98.5 35.4 113 108 A L H <<5S+ 0 0 49 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.821 105.9 56.1 -64.2 -33.3 -55.8 97.6 38.8 114 109 A L H 3<5S- 0 0 6 -4,-1.6 -1,-0.2 219,-0.1 -2,-0.2 0.629 138.6 -70.3 -77.4 -14.9 -55.6 93.9 38.0 115 110 A G T <<5S- 0 0 61 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.2 0.409 77.6 -87.1 134.9 5.0 -51.9 93.9 37.2 116 111 A G < - 0 0 10 -5,-2.3 2,-0.2 -6,-0.2 -4,-0.1 -0.085 67.7 -35.6 90.1 172.0 -51.5 95.8 34.0 117 112 A K + 0 0 84 1,-0.1 220,-0.3 3,-0.0 3,-0.1 -0.458 36.9 179.8 -77.5 139.1 -51.7 94.7 30.3 118 113 A S S S+ 0 0 67 218,-3.4 2,-0.3 1,-0.2 219,-0.2 0.445 75.3 26.5-104.0 -9.7 -50.4 91.4 29.2 119 114 A R - 0 0 51 217,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.987 68.5-129.0-153.9 158.9 -51.3 92.0 25.6 120 115 A E S S+ 0 0 150 -2,-0.3 2,-0.3 1,-0.2 250,-0.1 0.661 90.9 3.4 -88.2 -16.4 -51.9 94.8 23.1 121 116 A R S S- 0 0 104 248,-0.1 2,-0.6 214,-0.1 248,-0.2 -0.975 71.1-113.4-163.1 166.1 -55.3 93.6 21.9 122 117 A V E -E 368 0D 0 246,-2.8 246,-2.7 -2,-0.3 214,-0.1 -0.907 26.2-136.4-117.4 110.1 -57.9 90.9 22.5 123 118 A M E -E 367 0D 36 -2,-0.6 221,-2.0 244,-0.2 2,-0.2 -0.366 27.2-171.1 -67.0 137.8 -58.6 88.3 19.9 124 119 A T E -g 344 0E 0 242,-1.7 25,-0.5 219,-0.2 26,-0.4 -0.744 16.4-139.6-118.7 169.1 -62.2 87.5 19.3 125 120 A Y E -g 345 0E 0 219,-1.4 221,-2.2 -2,-0.2 2,-0.3 -0.981 15.5-143.6-125.6 150.5 -64.3 85.0 17.4 126 121 A A E -gh 346 151E 1 24,-1.6 26,-3.1 -2,-0.4 2,-0.7 -0.724 22.4-109.8-105.1 157.5 -67.5 85.7 15.5 127 122 A H E - 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0 0 6 -2,-0.3 4,-1.6 212,-0.2 5,-0.1 -0.919 5.2-169.4-135.4 112.4 -81.4 63.8 16.5 189 184 A T H > S+ 0 0 8 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.917 86.9 54.5 -64.0 -43.8 -77.9 63.0 17.7 190 185 A E H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 108.3 47.7 -63.1 -41.7 -77.2 60.4 15.0 191 186 A K H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 112.9 49.7 -65.2 -39.1 -78.0 62.7 12.1 192 187 A Y H X S+ 0 0 12 -4,-1.6 4,-3.1 2,-0.2 3,-0.4 0.924 108.2 52.4 -63.4 -45.9 -75.9 65.5 13.6 193 188 A L H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.8 47.9 -63.5 -33.5 -72.9 63.2 14.2 194 189 A N H < S+ 0 0 109 -4,-1.6 -1,-0.3 -5,-0.2 4,-0.2 0.768 120.4 37.6 -76.0 -24.8 -73.0 62.0 10.6 195 190 A H H >X S+ 0 0 28 -4,-1.2 3,-1.5 -3,-0.4 4,-0.8 0.861 96.5 73.9 -96.1 -41.6 -73.3 65.6 9.2 196 191 A A H >X S+ 0 0 6 -4,-3.1 4,-1.3 1,-0.3 3,-1.0 0.816 90.8 57.5 -49.2 -44.0 -71.0 67.8 11.4 197 192 A P H 3> S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.854 99.4 61.7 -59.2 -30.9 -67.7 66.7 10.1 198 193 A K H <> S+ 0 0 130 -3,-1.5 4,-2.0 -4,-0.2 -2,-0.2 0.821 99.8 55.4 -61.4 -33.5 -68.8 67.7 6.5 199 194 A L H - 0 0 3 25,-2.6 3,-0.9 -2,-0.6 26,-0.2 0.730 30.3-147.2 -76.9 -24.9 -71.9 71.0 20.4 218 213 A H T 3 - 0 0 5 24,-0.7 26,-0.2 1,-0.2 25,-0.1 0.874 51.7 -63.1 58.4 47.0 -74.2 72.6 22.9 219 214 A H T 3 S+ 0 0 19 24,-3.3 -1,-0.2 23,-0.2 25,-0.1 0.452 101.2 120.0 75.3 8.0 -74.7 69.8 25.5 220 215 A R < + 0 0 2 -3,-0.9 2,-0.2 23,-0.3 25,-0.1 0.592 53.0 72.0 -90.6 -11.2 -76.4 67.3 23.2 221 216 A L S S- 0 0 3 23,-1.4 -4,-0.0 2,-0.0 3,-0.0 -0.569 70.1-124.3-103.5 162.5 -74.0 64.3 23.2 222 217 A T > - 0 0 51 -2,-0.2 4,-2.3 23,-0.1 3,-0.4 -0.592 44.0 -98.8 -88.8 164.9 -73.0 61.5 25.6 223 218 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.903 122.9 46.6 -55.4 -45.8 -69.3 61.2 26.4 224 219 A I H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.798 112.3 52.6 -71.0 -24.6 -68.6 58.3 24.0 225 220 A E H > S+ 0 0 41 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.886 110.1 47.4 -71.5 -40.3 -70.5 60.2 21.2 226 221 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.845 108.9 55.1 -67.5 -35.2 -68.4 63.3 21.8 227 222 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.938 108.5 48.8 -61.5 -45.4 -65.3 61.1 21.8 228 223 A R H X S+ 0 0 114 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.917 113.1 46.4 -59.7 -45.2 -66.4 59.9 18.3 229 224 A L H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.919 109.9 54.0 -65.6 -43.0 -67.0 63.4 17.1 230 225 A G H X S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 0.928 111.3 45.5 -56.2 -46.8 -63.7 64.7 18.5 231 226 A K H >< S+ 0 0 112 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.905 110.0 54.4 -63.5 -43.2 -61.8 61.9 16.6 232 227 A A H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.757 111.8 44.0 -64.1 -25.9 -63.8 62.6 13.4 233 228 A V H >< S+ 0 0 0 -4,-1.5 3,-1.6 -3,-0.4 5,-0.4 0.405 81.5 100.9-104.0 3.7 -62.9 66.3 13.4 234 229 A E G X< S+ 0 0 61 -3,-1.0 3,-1.6 -4,-0.5 -1,-0.2 0.871 76.3 60.0 -51.9 -41.2 -59.2 65.9 14.3 235 230 A P G 3 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 102.3 53.9 -63.8 -16.2 -58.1 66.4 10.6 236 231 A Y G < S- 0 0 58 -3,-1.6 -2,-0.2 -4,-0.0 -23,-0.1 0.449 99.6-139.5 -99.0 -1.6 -59.7 69.8 10.6 237 232 A H < - 0 0 133 -3,-1.6 -24,-0.4 -4,-0.4 -3,-0.1 0.909 21.4-154.9 47.4 64.9 -57.8 71.0 13.7 238 233 A L - 0 0 4 -5,-0.4 -24,-0.2 1,-0.1 3,-0.2 -0.387 20.7-133.0 -68.9 146.2 -60.6 72.9 15.5 239 234 A F S S- 0 0 27 -26,-2.9 2,-0.3 1,-0.3 -25,-0.2 0.924 87.4 -21.0 -61.3 -46.9 -59.7 75.7 17.9 240 235 A W E -j 214 0E 0 -27,-0.7 -25,-1.6 22,-0.0 2,-0.5 -0.981 47.3-139.9-157.2 159.3 -62.2 74.0 20.3 241 236 A L E -jk 215 264E 1 22,-2.1 24,-2.1 -2,-0.3 3,-0.3 -0.995 40.9-151.5-114.4 118.7 -65.1 71.7 20.5 242 237 A E E -jk 216 265E 0 -27,-3.0 -25,-2.6 -2,-0.5 -24,-0.7 -0.696 54.3 -5.8-106.5 142.2 -67.4 73.3 23.1 243 238 A D + 0 0 0 22,-2.3 -24,-3.3 -2,-0.3 -23,-0.3 0.867 65.9 169.7 51.9 47.6 -69.9 71.9 25.6 244 239 A C + 0 0 3 21,-0.4 -23,-1.4 -3,-0.3 -1,-0.1 0.866 63.4 4.7 -56.3 -40.4 -69.8 68.4 24.3 245 240 A V S S- 0 0 1 -25,-0.1 2,-0.2 -26,-0.1 -25,-0.1 -0.968 87.9 -88.1-146.1 151.3 -71.8 66.9 27.2 246 241 A P - 0 0 27 0, 0.0 3,-0.2 0, 0.0 6,-0.1 -0.500 42.7-164.3 -64.0 135.9 -73.7 68.1 30.3 247 242 A A + 0 0 7 -2,-0.2 6,-0.1 1,-0.2 -3,-0.0 -0.052 52.1 118.3-126.0 32.4 -71.1 68.3 33.0 248 243 A E S S+ 0 0 168 1,-0.2 2,-0.9 2,-0.1 -1,-0.2 0.893 88.1 55.0 -58.5 -38.0 -72.7 68.5 36.4 249 244 A N S > S- 0 0 89 -3,-0.2 3,-2.0 1,-0.2 -1,-0.2 -0.877 85.7-161.9 -90.9 105.7 -70.9 65.3 36.8 250 245 A Q G > S+ 0 0 16 -2,-0.9 3,-1.7 1,-0.3 4,-0.2 0.773 82.7 72.6 -67.4 -22.5 -67.4 66.6 35.9 251 246 A E G > S+ 0 0 136 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.637 74.5 87.6 -63.8 -12.2 -66.2 63.0 35.2 252 247 A S G < S+ 0 0 25 -3,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.715 82.0 57.3 -59.1 -23.7 -68.3 63.2 32.0 253 248 A L G <> S+ 0 0 3 -3,-1.7 4,-2.4 1,-0.2 3,-0.3 0.667 84.1 85.3 -81.9 -15.8 -65.3 64.7 30.2 254 249 A R H <> S+ 0 0 100 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 0.892 87.9 46.5 -58.2 -49.6 -62.9 61.8 30.9 255 250 A L H > S+ 0 0 59 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.825 112.9 51.5 -64.4 -32.7 -63.8 59.5 28.0 256 251 A I H >> S+ 0 0 0 -4,-0.4 4,-1.5 -3,-0.3 3,-1.1 0.959 111.3 46.5 -66.8 -49.9 -63.7 62.4 25.6 257 252 A R H 3< S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.832 110.7 53.2 -62.6 -32.2 -60.3 63.5 26.7 258 253 A E H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.694 115.7 39.2 -76.6 -16.1 -58.9 60.0 26.6 259 254 A H H << S+ 0 0 90 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.564 112.7 42.0-113.4 -13.0 -60.0 59.4 23.1 260 255 A T < - 0 0 8 -4,-1.5 -1,-0.1 2,-0.1 -29,-0.1 -0.977 47.2-155.6-139.7 152.9 -59.4 62.6 21.1 261 256 A T + 0 0 115 -2,-0.3 -1,-0.1 -31,-0.1 -4,-0.1 0.257 60.7 120.5-104.3 8.5 -56.8 65.4 20.7 262 257 A T S S- 0 0 4 1,-0.1 -2,-0.1 -25,-0.0 -23,-0.1 -0.599 76.3-107.6 -67.7 129.3 -59.4 67.9 19.5 263 258 A P - 0 0 38 0, 0.0 -22,-2.1 0, 0.0 2,-0.4 -0.333 35.9-142.9 -64.8 146.5 -59.2 70.8 22.1 264 259 A L E -k 241 0E 2 -24,-0.2 22,-3.0 -3,-0.0 23,-1.5 -0.885 16.5-173.0-119.0 140.7 -62.1 71.0 24.5 265 260 A A E +kl 242 287E 3 -24,-2.1 -22,-2.3 -2,-0.4 -21,-0.4 -0.972 14.6 154.9-128.3 146.0 -64.0 74.0 25.9 266 261 A I E + l 0 288E 4 21,-1.9 23,-2.5 -2,-0.4 24,-0.4 -0.986 27.3 80.3-157.7 159.0 -66.7 74.0 28.6 267 262 A G > + 0 0 0 -2,-0.3 3,-1.9 22,-0.2 21,-0.1 0.384 39.0 121.3 130.5 -3.4 -68.3 76.2 31.2 268 263 A E T 3 S+ 0 0 22 1,-0.3 26,-0.0 22,-0.2 20,-0.0 0.820 87.6 49.1 -60.4 -25.5 -70.8 78.8 30.1 269 264 A V T 3 S+ 0 0 91 21,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.429 94.7 98.8 -91.6 4.0 -73.4 77.1 32.3 270 265 A F < + 0 0 12 -3,-1.9 3,-0.1 1,-0.1 24,-0.0 -0.491 41.8 177.3 -88.1 158.9 -71.2 77.1 35.4 271 266 A N + 0 0 15 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.383 61.3 51.9-136.8 -0.9 -71.2 79.6 38.2 272 267 A S S > S- 0 0 6 1,-0.1 3,-1.8 -189,-0.1 4,-0.3 -0.977 72.7-125.9-140.6 148.5 -68.6 78.4 40.7 273 268 A I G >> S+ 0 0 50 -2,-0.3 4,-1.6 1,-0.3 3,-1.4 0.800 113.7 67.1 -57.9 -24.3 -65.0 77.3 40.8 274 269 A H G 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.621 90.4 61.7 -75.6 -9.8 -66.5 74.2 42.4 275 270 A D G <4 S+ 0 0 28 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.578 121.9 18.9 -82.7 -13.8 -68.2 73.4 39.1 276 271 A C T <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 0.384 86.0 105.8-143.4 1.3 -64.9 73.0 37.3 277 272 A R H X S+ 0 0 100 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.925 92.3 42.1 -53.6 -47.4 -62.0 72.5 39.8 278 273 A E H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 109.9 56.3 -70.0 -39.9 -61.8 68.8 38.9 279 274 A L H 4>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 6,-0.6 0.892 115.5 40.3 -55.0 -42.2 -62.1 69.4 35.1 280 275 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.956 114.5 48.5 -73.5 -51.9 -59.2 71.7 35.4 281 276 A Q H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.794 113.2 48.6 -64.6 -29.1 -57.0 69.7 37.8 282 277 A N T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.374 110.9-122.4 -88.0 3.5 -57.4 66.5 35.8 283 278 A Q T < 5 + 0 0 101 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.904 65.4 141.2 54.1 49.3 -56.6 68.3 32.5 284 279 A W < + 0 0 30 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.514 62.1 38.2 -95.9 -7.7 -59.9 67.4 30.9 285 280 A I - 0 0 1 -6,-0.6 -20,-0.2 -5,-0.1 3,-0.1 -0.955 55.0-157.1-139.9 161.1 -60.4 70.7 29.2 286 281 A D S S+ 0 0 36 -22,-3.0 28,-2.8 -2,-0.3 2,-0.4 0.636 82.3 34.8-107.9 -24.0 -58.4 73.3 27.4 287 282 A Y E -lm 265 314E 10 -23,-1.5 -21,-1.9 26,-0.2 2,-0.5 -1.000 64.8-147.7-138.0 135.0 -60.6 76.4 27.8 288 283 A I E -lm 266 315E 3 26,-2.2 28,-2.5 -2,-0.4 -21,-0.2 -0.896 11.5-172.0-105.8 128.5 -62.8 77.5 30.6 289 284 A R + 0 0 0 -23,-2.5 29,-2.4 -2,-0.5 -22,-0.2 0.464 37.3 127.0-103.6 -6.6 -65.9 79.4 29.4 290 285 A M - 0 0 0 -24,-0.4 -22,-0.2 27,-0.2 26,-0.1 -0.351 49.3-147.0 -60.1 125.8 -67.5 80.7 32.6 291 286 A P > - 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.3 -0.425 21.6-103.2 -96.7 173.3 -68.0 84.5 32.2 292 287 A L T 4>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 4,-0.2 0.900 114.1 53.4 -58.3 -47.5 -67.9 87.4 34.8 293 288 A T T 45S+ 0 0 0 1,-0.2 -201,-0.3 3,-0.2 3,-0.3 0.826 122.0 28.5 -62.1 -35.7 -71.7 87.9 35.1 294 289 A H T 45S+ 0 0 17 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.608 113.4 63.8-102.1 -13.4 -72.5 84.3 35.9 295 290 A G T <5S- 0 0 2 -4,-1.8 -1,-0.2 -206,-0.1 -2,-0.2 0.021 120.3 -87.8-105.1 25.7 -69.2 83.3 37.6 296 291 A G T >5 - 0 0 0 -208,-0.4 4,-0.9 -3,-0.3 3,-0.2 0.683 69.5 -94.2 81.1 16.1 -69.3 85.6 40.6 297 292 A G H >< - 0 0 0 -5,-2.4 4,-2.4 -6,-0.3 5,-0.2 -0.193 68.2 -35.7 80.6-167.2 -67.5 88.5 39.0 298 293 A I H > S+ 0 0 1 -206,-0.3 4,-2.4 1,-0.2 5,-0.3 0.897 131.0 57.7 -60.7 -46.6 -63.9 89.6 38.9 299 294 A T H > S+ 0 0 8 -3,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.910 115.6 34.8 -54.3 -46.7 -63.0 88.5 42.4 300 295 A A H X S+ 0 0 15 -4,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.867 115.3 54.4 -78.1 -39.0 -64.1 84.9 41.7 301 296 A M H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.804 100.1 60.4 -72.9 -26.3 -63.0 84.7 38.1 302 297 A R H X S+ 0 0 69 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 107.7 47.5 -58.5 -41.8 -59.4 85.8 38.9 303 298 A R H X S+ 0 0 110 -4,-0.8 4,-2.1 -5,-0.3 -2,-0.2 0.902 112.3 48.2 -68.7 -39.9 -59.3 82.7 41.1 304 299 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.946 112.7 48.1 -62.6 -49.8 -60.7 80.4 38.4 305 300 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.884 111.5 50.8 -58.8 -40.8 -58.3 81.8 35.7 306 301 A D H X S+ 0 0 64 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.891 110.1 48.4 -66.7 -39.8 -55.3 81.3 38.1 307 302 A L H >< S+ 0 0 29 -4,-2.1 3,-1.2 1,-0.2 4,-0.5 0.943 110.8 52.4 -62.6 -46.3 -56.3 77.7 38.9 308 303 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-2.0 0.884 100.5 62.5 -53.6 -40.6 -56.6 77.1 35.1 309 304 A S H ><5S+ 0 0 55 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.768 92.5 63.5 -64.4 -24.3 -53.2 78.5 34.5 310 305 A L T <<5S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.721 111.0 38.3 -70.2 -19.0 -51.5 75.8 36.6 311 306 A Y T < 5S- 0 0 72 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.058 118.7-104.0-122.1 21.0 -52.8 73.2 34.1 312 307 A H T < 5S+ 0 0 153 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.547 71.9 147.5 68.1 10.3 -52.3 75.2 30.8 313 308 A V < - 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