==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-NOV-04 1VPL . COMPND 2 MOLECULE: ABC TRANSPORTER, ATP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 238 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 13.4 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 . 3 1.3 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 . 11 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 1 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 0 1 0 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 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 2 A G 0 0 48 0, 0.0 62,-0.6 0, 0.0 61,-0.4 0.000 360.0 360.0 360.0 -68.3 35.4 45.9 25.7 2 3 A A + 0 0 0 23,-0.9 60,-2.7 1,-0.2 2,-0.3 0.861 360.0 4.5 -62.2 -46.2 34.3 44.5 22.3 3 4 A V E -AB 25 61A 0 22,-1.5 22,-2.7 58,-0.2 2,-0.4 -0.985 66.2-175.2-137.8 131.6 30.7 44.1 23.2 4 5 A V E -AB 24 60A 46 56,-2.6 56,-2.7 -2,-0.3 2,-0.4 -0.990 2.8-171.4-128.9 118.6 29.0 45.1 26.4 5 6 A V E -AB 23 59A 3 18,-2.9 18,-1.9 -2,-0.4 2,-0.4 -0.954 7.4-172.6-107.8 131.3 25.4 44.3 27.1 6 7 A K E - B 0 58A 50 52,-2.4 52,-2.4 -2,-0.4 16,-0.2 -0.979 63.7 -30.3-133.9 112.9 23.9 45.9 30.1 7 8 A D E S- 0 0 101 -2,-0.4 2,-0.4 13,-0.2 15,-0.2 0.864 80.5-172.9 47.8 47.4 20.3 45.1 31.5 8 9 A L E +A 21 0A 0 13,-3.0 13,-2.1 49,-0.2 12,-1.6 -0.571 7.6 178.4 -78.4 124.8 19.1 44.3 28.0 9 10 A R E -AB 19 56A 95 47,-2.4 46,-2.4 -2,-0.4 47,-1.5 -0.934 6.8-179.2-121.5 154.9 15.4 43.7 27.8 10 11 A K E -A 18 0A 37 8,-1.8 8,-1.8 -2,-0.4 7,-1.6 -0.874 10.4-159.3-157.2 119.5 13.3 42.9 24.7 11 12 A R E -A 16 0A 143 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.851 6.8-174.7 -93.3 131.4 9.6 42.3 24.4 12 13 A I E > -A 15 0A 81 3,-2.8 3,-1.9 -2,-0.5 2,-0.2 -0.964 62.9 -46.6-126.3 118.9 8.2 40.4 21.4 13 14 A G T 3 S- 0 0 51 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.447 125.7 -16.1 59.6-131.9 4.5 40.3 21.3 14 15 A K T 3 S+ 0 0 221 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.556 122.8 90.4 -73.0 -9.0 3.1 39.3 24.7 15 16 A K E < -A 12 0A 144 -3,-1.9 -3,-2.8 1,-0.0 2,-1.2 -0.756 67.7-143.6-110.0 138.8 6.5 38.0 25.9 16 17 A E E +A 11 0A 68 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.800 30.4 175.2 -85.3 96.7 9.5 39.4 27.6 17 18 A I E + 0 0 39 -7,-1.6 2,-0.5 -2,-1.2 -1,-0.2 0.883 69.3 38.7 -73.8 -49.1 12.0 37.4 25.6 18 19 A L E S-A 10 0A 0 -8,-1.8 -8,-1.8 -3,-0.2 -1,-0.2 -0.964 74.6-160.3-107.6 129.3 15.1 38.9 27.1 19 20 A K E -A 9 0A 83 190,-2.8 -10,-0.2 -2,-0.5 192,-0.1 -0.222 63.8 -59.4-111.1 36.8 14.7 39.5 30.8 20 21 A G E S- 0 0 23 -12,-1.6 -13,-0.2 1,-0.1 -11,-0.2 0.951 75.3-175.5 85.6 63.0 17.4 42.1 31.6 21 22 A I E -A 8 0A 3 -13,-2.1 -13,-3.0 -15,-0.1 2,-0.3 -0.560 10.1-171.0 -97.9 150.9 20.6 40.3 30.6 22 23 A S E + 0 0 49 -16,-0.2 2,-0.3 -15,-0.2 -16,-0.2 -0.994 19.0 132.7-139.5 143.1 24.2 41.5 31.0 23 24 A F E -A 5 0A 14 -18,-1.9 -18,-2.9 -2,-0.3 2,-0.3 -0.932 32.5-136.1-177.2 166.8 27.5 40.2 29.7 24 25 A E E -A 4 0A 77 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.973 5.5-151.9-140.1 148.2 30.7 41.4 28.0 25 26 A I E -A 3 0A 0 -22,-2.7 -22,-1.5 -2,-0.3 -23,-0.9 -0.977 19.1-132.9-122.5 132.9 32.9 40.0 25.2 26 27 A E > - 0 0 67 -2,-0.4 3,-1.5 -25,-0.2 176,-0.1 -0.591 31.8 -95.3 -89.1 146.7 36.6 40.7 25.0 27 28 A E T 3 S+ 0 0 112 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.339 106.3 16.4 -56.8 130.4 38.3 41.9 21.8 28 29 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.2 125,-0.2 155,-0.2 0.518 101.9 108.0 93.0 2.8 39.8 39.0 19.8 29 30 A E < - 0 0 22 -3,-1.5 157,-2.4 154,-0.1 2,-0.6 -0.659 69.8-117.2-110.9 168.5 38.1 36.1 21.4 30 31 A I E -d 186 0B 3 -2,-0.2 171,-2.9 155,-0.2 172,-1.5 -0.948 34.9-169.1-102.0 117.9 35.3 33.7 20.5 31 32 A F E -de 187 202B 0 155,-3.0 157,-2.9 -2,-0.6 2,-0.5 -0.907 6.6-151.3-112.9 135.1 32.4 34.2 22.8 32 33 A G E -de 188 203B 0 170,-2.5 172,-2.3 -2,-0.4 2,-0.8 -0.914 11.3-159.4-111.4 125.4 29.5 31.8 23.1 33 34 A L E -de 189 204B 0 155,-3.1 157,-1.9 -2,-0.5 2,-0.4 -0.903 34.3-170.4 -97.2 108.4 26.0 32.7 24.0 34 35 A I E +de 190 205B 0 170,-2.8 172,-2.9 -2,-0.8 157,-0.2 -0.903 23.0 103.8-118.1 128.8 24.9 29.2 25.0 35 36 A G - 0 0 0 155,-1.6 172,-0.1 -2,-0.4 3,-0.1 -0.969 60.5 -67.7 174.7 167.6 21.5 27.7 25.9 36 37 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 5,-0.3 -0.028 68.0 -67.6 -69.1 173.1 18.6 25.6 24.7 37 38 A N T 3 S+ 0 0 128 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.364 123.5 24.5 -59.4 139.6 16.1 26.4 21.9 38 39 A G T 3 S+ 0 0 80 -3,-0.1 -1,-0.3 169,-0.1 169,-0.1 0.387 82.3 119.7 82.8 -1.8 13.9 29.2 22.8 39 40 A A S < S- 0 0 2 -3,-1.9 170,-1.2 169,-0.1 168,-0.1 0.591 88.6-103.9 -71.6 -11.6 16.4 30.8 25.4 40 41 A G S > S+ 0 0 9 -4,-0.2 4,-2.1 168,-0.1 5,-0.1 0.625 76.8 135.7 99.2 14.8 16.5 34.1 23.3 41 42 A K H > S+ 0 0 10 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.905 72.1 48.2 -65.0 -40.4 20.0 33.7 21.6 42 43 A T H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 111.1 50.2 -69.7 -40.6 18.9 34.8 18.1 43 44 A T H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 111.6 49.6 -61.4 -46.8 17.1 37.9 19.4 44 45 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.931 111.5 47.2 -54.6 -51.1 20.1 38.8 21.4 45 46 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.881 111.8 52.4 -65.4 -33.9 22.5 38.4 18.4 46 47 A R H <>S+ 0 0 94 -4,-2.4 6,-1.3 -5,-0.2 5,-1.2 0.792 107.0 50.9 -69.1 -33.7 20.1 40.4 16.3 47 48 A I H ><5S+ 0 0 0 -4,-1.8 3,-1.9 -3,-0.3 -2,-0.2 0.919 109.3 51.5 -68.5 -45.3 19.9 43.3 18.7 48 49 A I H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 107.2 53.5 -62.7 -28.9 23.7 43.5 18.8 49 50 A S T 3<5S- 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.435 114.8-117.8 -87.0 4.4 23.8 43.6 15.0 50 51 A T T < 5S+ 0 0 11 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.368 83.8 118.3 72.3 -0.9 21.5 46.6 15.0 51 52 A L S S-BC 3 64A 0 3,-2.4 3,-2.4 -2,-0.4 -58,-0.2 -0.990 84.4 -19.2-114.1 119.5 30.1 47.5 20.3 62 63 A F T 3 S- 0 0 39 -60,-2.7 -60,-0.2 -2,-0.5 -1,-0.1 0.874 131.0 -50.5 43.4 46.3 33.7 48.7 20.6 63 64 A G T 3 S+ 0 0 59 -62,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.381 113.4 119.5 81.0 -2.9 32.5 51.6 22.7 64 65 A K E < -C 61 0A 62 -3,-2.4 -3,-2.4 8,-0.0 -1,-0.2 -0.868 66.2-127.8 -99.4 122.0 29.8 52.7 20.3 65 66 A N E > -C 60 0A 21 -2,-0.6 4,-2.7 -5,-0.2 -5,-0.2 -0.508 16.7-144.6 -64.5 127.2 26.1 52.6 21.6 66 67 A V T 4 S+ 0 0 2 -7,-2.5 -1,-0.2 1,-0.2 -6,-0.1 0.681 98.1 44.2 -75.4 -20.9 24.3 50.5 19.0 67 68 A V T 4 S+ 0 0 70 -8,-0.4 -1,-0.2 2,-0.1 -7,-0.1 0.832 120.4 38.2 -90.0 -38.7 21.2 52.6 19.4 68 69 A E T 4 S+ 0 0 144 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.821 134.0 22.1 -80.6 -35.3 22.9 56.1 19.5 69 70 A E X + 0 0 69 -4,-2.7 4,-1.8 1,-0.1 -1,-0.2 -0.451 68.7 149.8-130.3 62.2 25.5 55.3 16.8 70 71 A P H > S+ 0 0 31 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.806 73.5 60.2 -64.1 -32.4 24.3 52.4 14.6 71 72 A H H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.948 107.1 44.7 -57.0 -53.1 26.1 53.6 11.6 72 73 A E H 4 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.886 114.2 51.1 -62.4 -41.0 29.5 53.3 13.4 73 74 A V H >X S+ 0 0 0 -4,-1.8 3,-1.7 -8,-0.2 4,-0.7 0.905 106.6 52.1 -62.0 -46.8 28.5 49.9 14.7 74 75 A R H >< S+ 0 0 120 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.836 99.4 63.1 -67.8 -31.6 27.5 48.4 11.4 75 76 A K T 3< S+ 0 0 131 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.702 109.8 45.0 -56.4 -18.5 30.8 49.5 9.8 76 77 A L T <4 S+ 0 0 33 -3,-1.7 78,-2.6 -4,-0.3 77,-1.3 0.581 105.7 66.7-104.2 -14.4 32.3 47.0 12.4 77 78 A I E << -f 154 0B 26 -4,-0.7 2,-0.3 -3,-0.7 78,-0.2 -0.733 46.0-168.1-119.1 160.6 30.1 44.0 12.2 78 79 A S E -f 155 0B 8 76,-1.6 78,-2.8 -2,-0.3 2,-0.4 -0.962 17.4-162.4-137.3 125.5 29.0 41.1 9.9 79 80 A Y E -f 156 0B 40 -2,-0.3 78,-0.2 76,-0.2 76,-0.0 -0.926 6.8-169.2-113.7 135.0 26.0 39.0 10.9 80 81 A L E -f 157 0B 13 76,-2.3 78,-2.4 -2,-0.4 3,-0.1 -0.964 18.0-143.7-121.3 110.9 25.1 35.5 9.6 81 82 A P > - 0 0 50 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.211 36.7 -76.3 -72.1 167.5 21.7 34.2 10.5 82 83 A E T 3 S+ 0 0 75 1,-0.3 77,-0.1 75,-0.1 75,-0.0 -0.373 109.6 0.1 -68.8 136.9 21.0 30.6 11.2 83 84 A E T 3 S- 0 0 98 75,-0.4 -1,-0.3 76,-0.3 76,-0.1 0.833 84.6-179.4 54.7 35.6 20.8 28.1 8.4 84 85 A A < - 0 0 29 -3,-1.1 2,-0.2 56,-0.1 -1,-0.2 -0.341 10.0-153.4 -57.3 146.9 21.5 30.9 5.7 85 86 A G - 0 0 49 58,-0.1 2,-0.3 55,-0.0 -1,-0.1 -0.704 4.4-133.8-117.8 174.3 21.6 29.6 2.1 86 87 A A - 0 0 10 -2,-0.2 2,-0.4 45,-0.1 6,-0.0 -0.867 39.6 -84.5-124.1 160.8 23.2 30.6 -1.1 87 88 A Y > - 0 0 115 -2,-0.3 3,-0.7 1,-0.2 44,-0.3 -0.519 39.2-153.9 -69.7 119.9 21.8 30.9 -4.6 88 89 A R T 3 S+ 0 0 92 -2,-0.4 44,-1.9 1,-0.3 45,-0.2 0.629 82.1 66.8 -72.7 -21.0 22.1 27.4 -6.1 89 90 A N T 3 S+ 0 0 83 42,-0.2 2,-0.3 41,-0.1 -1,-0.3 -0.118 90.9 73.9 -99.4 36.7 22.3 28.3 -9.7 90 91 A M S < S- 0 0 28 -3,-0.7 41,-2.4 39,-0.1 42,-0.2 -0.962 86.8-104.8-135.9 153.6 25.7 29.9 -9.5 91 92 A Q B > -I 130 0C 75 -2,-0.3 4,-2.5 39,-0.3 39,-0.3 -0.422 39.8-110.2 -65.9 157.2 29.1 28.6 -9.2 92 93 A G H > S+ 0 0 0 37,-1.9 4,-2.0 34,-0.4 36,-0.2 0.939 121.2 46.7 -52.0 -49.0 30.5 29.1 -5.7 93 94 A I H > S+ 0 0 21 34,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.824 112.0 52.4 -66.9 -30.3 33.0 31.7 -6.9 94 95 A E H > S+ 0 0 89 33,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.890 106.5 51.3 -73.3 -41.3 30.3 33.3 -8.9 95 96 A Y H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 50.9 -59.0 -42.8 28.0 33.6 -5.8 96 97 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.904 110.1 48.3 -66.3 -41.8 31.0 35.2 -4.0 97 98 A R H X S+ 0 0 124 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.902 111.3 51.8 -57.6 -47.9 31.5 37.8 -6.8 98 99 A F H < S+ 0 0 108 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.956 114.8 39.8 -57.5 -56.8 27.9 38.6 -6.8 99 100 A V H >X S+ 0 0 4 -4,-2.6 3,-2.2 1,-0.2 4,-0.9 0.897 109.2 59.8 -65.4 -40.7 27.6 39.2 -3.1 100 101 A A H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.3 3,-0.6 0.878 97.8 64.4 -52.9 -37.3 31.0 41.0 -2.9 101 102 A G H 3< S+ 0 0 35 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.697 90.4 63.0 -60.3 -20.8 29.4 43.4 -5.4 102 103 A F H <4 S+ 0 0 131 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.936 109.5 40.9 -66.6 -39.8 26.9 44.5 -2.7 103 104 A Y H << S+ 0 0 111 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.755 127.7 6.2 -80.6 -29.0 29.7 45.8 -0.6 104 105 A A < - 0 0 13 -4,-1.5 -1,-0.2 1,-0.1 0, 0.0 -0.989 42.7-155.7-154.8 154.3 31.8 47.5 -3.2 105 106 A S + 0 0 116 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.567 66.3 103.7-102.4 -17.8 31.9 48.4 -6.9 106 107 A S > - 0 0 41 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.498 69.2-138.0 -75.8 136.0 35.7 48.6 -7.3 107 108 A S H > S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.879 103.1 54.7 -56.0 -43.9 37.3 45.6 -9.1 108 109 A S H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.2 43.2 -58.7 -47.1 40.1 45.6 -6.6 109 110 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 114.9 50.2 -70.4 -41.2 37.9 45.4 -3.5 110 111 A I H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.953 111.2 48.9 -59.4 -50.5 35.7 42.8 -5.1 111 112 A E H X S+ 0 0 76 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.909 111.1 50.4 -55.6 -44.8 38.7 40.7 -6.1 112 113 A E H X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 111.7 47.1 -62.0 -49.5 40.1 41.0 -2.5 113 114 A M H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.936 113.3 48.5 -54.6 -48.9 36.9 39.9 -0.9 114 115 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.907 112.2 48.3 -63.8 -41.3 36.5 37.0 -3.3 115 116 A E H X S+ 0 0 105 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.890 112.0 48.8 -68.8 -36.9 40.0 35.8 -2.8 116 117 A R H X S+ 0 0 84 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 113.2 49.1 -62.1 -47.5 39.7 36.0 1.0 117 118 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.930 109.3 49.7 -57.0 -48.1 36.5 34.1 0.8 118 119 A T H X S+ 0 0 42 -4,-2.8 4,-1.5 1,-0.2 5,-0.5 0.884 112.1 50.0 -61.3 -39.4 37.8 31.3 -1.4 119 120 A E H < S+ 0 0 148 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.869 114.0 43.7 -66.6 -40.9 40.7 30.9 1.0 120 121 A I H < S+ 0 0 45 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.942 111.0 54.5 -68.8 -46.3 38.4 30.7 4.1 121 122 A A H < S- 0 0 1 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.836 85.0-158.0 -55.6 -37.3 35.9 28.4 2.4 122 123 A G < + 0 0 52 -4,-1.5 -3,-0.1 -5,-0.2 -1,-0.1 0.825 40.9 141.1 56.7 41.8 38.5 25.8 1.5 123 124 A L > - 0 0 16 -5,-0.5 3,-1.7 1,-0.3 4,-0.2 0.371 39.2-161.2 -94.1 1.9 36.4 24.2 -1.3 124 125 A G G > - 0 0 53 1,-0.3 3,-1.4 -6,-0.3 -1,-0.3 -0.204 67.9 -13.7 55.1-138.4 39.3 23.6 -3.7 125 126 A E G > S+ 0 0 144 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.692 124.6 80.1 -71.1 -16.1 38.3 23.1 -7.3 126 127 A K G X S+ 0 0 48 -3,-1.7 3,-1.8 1,-0.3 -34,-0.4 0.652 72.9 78.3 -67.1 -13.9 34.7 22.6 -6.1 127 128 A I G < S+ 0 0 18 -3,-1.4 -34,-2.6 1,-0.3 -33,-0.4 0.727 90.8 55.3 -65.1 -22.2 34.4 26.5 -5.9 128 129 A K G < S+ 0 0 123 -3,-1.8 -1,-0.3 -36,-0.2 2,-0.2 0.436 94.9 90.6 -88.0 -2.3 34.0 26.4 -9.6 129 130 A D S < S- 0 0 76 -3,-1.8 -37,-1.9 -4,-0.1 -36,-0.2 -0.601 91.5 -89.1 -88.4 160.0 31.0 23.9 -9.3 130 131 A R B > -I 91 0C 145 -39,-0.3 3,-2.0 -2,-0.2 -39,-0.3 -0.392 28.8-128.6 -66.6 141.3 27.4 24.9 -9.0 131 132 A V G > S+ 0 0 0 -41,-2.4 3,-1.6 -44,-0.3 -42,-0.2 0.731 105.4 71.3 -65.9 -26.7 26.1 25.5 -5.5 132 133 A S G 3 S+ 0 0 63 -44,-1.9 -1,-0.3 1,-0.3 -43,-0.1 0.736 96.2 54.2 -59.3 -24.6 23.2 23.2 -6.1 133 134 A T G < S+ 0 0 92 -3,-2.0 -1,-0.3 -45,-0.2 -2,-0.2 0.538 89.3 108.8 -85.4 -7.3 25.8 20.4 -6.1 134 135 A Y < - 0 0 17 -3,-1.6 2,-0.1 -4,-0.2 -3,-0.0 -0.374 66.3-127.9 -76.7 146.9 27.2 21.4 -2.6 135 136 A S > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.351 35.8 -99.0 -78.6 169.9 26.6 19.5 0.6 136 137 A K H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.896 124.6 52.0 -58.1 -39.5 25.3 21.2 3.6 137 138 A G H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 107.7 51.7 -73.1 -31.4 28.7 21.6 5.0 138 139 A M H > S+ 0 0 37 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 109.2 50.1 -67.8 -40.2 30.1 23.2 1.9 139 140 A V H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.937 110.8 51.0 -64.0 -45.1 27.2 25.7 1.8 140 141 A R H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 110.0 47.4 -60.2 -44.4 28.0 26.5 5.4 141 142 A K H X S+ 0 0 20 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.911 112.5 51.3 -62.3 -40.5 31.7 27.1 4.7 142 143 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.877 111.7 47.5 -60.7 -40.4 30.8 29.3 1.7 143 144 A L H X S+ 0 0 6 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.891 112.3 46.8 -73.0 -38.3 28.4 31.3 3.9 144 145 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.903 111.0 53.0 -68.2 -43.1 30.9 31.8 6.7 145 146 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.934 109.3 50.8 -50.9 -48.3 33.5 32.8 4.1 146 147 A R H < S+ 0 0 44 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.797 111.1 47.2 -59.9 -37.9 31.0 35.3 2.8 147 148 A A H < S+ 0 0 1 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.854 118.5 41.3 -70.3 -36.6 30.4 36.7 6.3 148 149 A L H >< S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.663 94.4 79.3 -88.3 -17.9 34.1 36.9 7.0 149 150 A M T 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -33,-0.1 0.749 82.8 65.5 -69.2 -23.8 35.3 38.2 3.6 150 151 A V T 3 S- 0 0 40 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.403 106.9-126.1 -73.9 7.9 34.3 41.8 4.4 151 152 A N < - 0 0 98 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.1 0.921 38.7-173.5 43.4 56.8 37.0 41.8 7.2 152 153 A P - 0 0 16 0, 0.0 -75,-0.2 0, 0.0 3,-0.2 -0.337 31.2-135.1 -68.0 156.6 34.6 42.8 10.1 153 154 A R S S+ 0 0 114 -77,-1.3 32,-2.0 1,-0.3 2,-0.4 0.852 97.5 31.5 -77.0 -34.0 36.0 43.6 13.5 154 155 A L E -fg 77 185B 0 -78,-2.6 -76,-1.6 30,-0.2 2,-0.5 -0.979 69.7-163.4-125.0 124.1 33.1 41.5 14.9 155 156 A A E -fg 78 186B 0 30,-2.6 32,-2.9 -2,-0.4 2,-0.6 -0.881 5.6-162.6 -98.2 132.1 31.5 38.5 13.4 156 157 A I E -fg 79 187B 0 -78,-2.8 -76,-2.3 -2,-0.5 2,-0.5 -0.972 12.0-175.1-117.7 108.3 28.1 37.5 14.8 157 158 A L E -fg 80 188B 0 30,-2.8 32,-1.8 -2,-0.6 2,-0.9 -0.951 17.5-146.9-117.5 121.0 27.3 33.9 13.8 158 159 A D E S- g 0 189B 3 -78,-2.4 -75,-0.4 -2,-0.5 32,-0.1 -0.773 79.2 -30.4 -91.7 104.5 23.9 32.3 14.7 159 160 A E S > S- 0 0 7 30,-0.9 3,-1.7 -2,-0.9 -76,-0.3 0.914 73.5-176.6 56.2 55.3 24.5 28.6 15.3 160 161 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.707 77.1 38.1 -59.8 -23.5 27.4 28.2 12.8 161 162 A T T > S+ 0 0 20 11,-0.1 3,-1.5 3,-0.0 -2,-0.1 0.360 83.0 128.7-110.6 8.7 27.7 24.4 13.3 162 163 A S T < S+ 0 0 18 -3,-1.7 3,-0.1 1,-0.2 -79,-0.1 -0.268 75.6 15.3 -70.0 147.8 24.1 23.3 13.5 163 164 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -80,-0.0 -1,-0.2 0.402 98.3 131.4 74.3 -1.4 23.0 20.5 11.2 164 165 A L < - 0 0 24 -3,-1.5 -1,-0.2 1,-0.1 -3,-0.0 -0.594 55.5-125.4 -94.2 143.9 26.6 19.6 10.5 165 166 A D > - 0 0 95 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.111 42.8 -90.1 -70.2 178.3 28.2 16.1 10.5 166 167 A V H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.918 124.1 46.6 -60.4 -46.7 31.3 15.5 12.6 167 168 A L H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 114.3 44.8 -63.5 -46.7 33.8 16.4 9.9 168 169 A N H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 111.1 53.5 -72.2 -32.3 32.1 19.6 8.7 169 170 A A H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.885 109.7 49.5 -66.9 -41.4 31.5 20.9 12.2 170 171 A R H X S+ 0 0 134 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.898 110.1 49.8 -61.3 -43.9 35.2 20.4 12.9 171 172 A E H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 111.2 50.1 -62.1 -37.9 36.2 22.3 9.8 172 173 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 109.3 50.1 -68.8 -41.8 33.9 25.1 10.7 173 174 A R H X S+ 0 0 33 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.904 110.6 52.0 -57.9 -43.6 35.4 25.3 14.2 174 175 A K H X S+ 0 0 151 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.912 108.0 50.5 -55.7 -51.1 38.8 25.4 12.6 175 176 A I H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 113.3 45.2 -54.3 -47.7 37.9 28.2 10.3 176 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.926 112.8 50.2 -67.3 -43.7 36.5 30.3 13.3 177 178 A K H X S+ 0 0 77 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 111.5 48.2 -61.7 -45.5 39.5 29.6 15.5 178 179 A Q H X S+ 0 0 103 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.926 111.0 51.3 -60.1 -43.2 41.9 30.6 12.8 179 180 A A H <>S+ 0 0 12 -4,-2.2 5,-1.8 -5,-0.2 3,-0.4 0.920 110.9 47.2 -62.1 -43.6 40.0 33.7 12.1 180 181 A S H ><5S+ 0 0 13 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.880 106.3 58.1 -64.5 -37.0 40.0 34.7 15.8 181 182 A Q H 3<5S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 102.4 57.2 -64.3 -25.9 43.7 33.9 16.1 182 183 A E T 3<5S- 0 0 142 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.100 134.8 -89.3 -85.6 15.7 44.1 36.5 13.3 183 184 A G T < 5S+ 0 0 47 -3,-2.1 -155,-0.2 1,-0.3 -3,-0.2 0.238 79.6 140.2 103.1 -14.8 42.3 39.1 15.5 184 185 A L < - 0 0 19 -5,-1.8 2,-0.5 -6,-0.1 -1,-0.3 -0.363 44.4-141.3 -62.1 137.8 38.7 38.7 14.7 185 186 A T E - g 0 154B 1 -32,-2.0 -30,-2.6 -33,-0.1 2,-0.4 -0.893 22.5-165.7 -97.6 132.4 36.2 38.9 17.6 186 187 A I E -dg 30 155B 0 -157,-2.4 -155,-3.0 -2,-0.5 2,-0.6 -0.978 15.9-166.5-126.8 125.2 33.4 36.3 17.1 187 188 A L E -dg 31 156B 0 -32,-2.9 -30,-2.8 -2,-0.4 2,-0.4 -0.967 21.3-179.7-103.4 115.6 30.1 36.1 18.9 188 189 A V E -dg 32 157B 1 -157,-2.9 -155,-3.1 -2,-0.6 2,-0.4 -0.913 19.9-148.1-113.3 150.6 28.4 32.7 18.3 189 190 A S E +dg 33 158B 0 -32,-1.8 -30,-0.9 -2,-0.4 2,-0.3 -0.883 28.4 163.0-107.0 142.8 25.2 31.3 19.5 190 191 A S E -d 34 0B 15 -157,-1.9 -155,-1.6 -2,-0.4 -2,-0.0 -0.967 39.2-166.5-157.7 149.0 24.9 27.6 20.1 191 192 A H + 0 0 78 -2,-0.3 2,-1.2 -157,-0.2 -154,-0.1 0.304 69.2 101.2-109.6 2.6 22.8 24.9 21.8 192 193 A N > + 0 0 64 1,-0.2 4,-0.9 2,-0.1 3,-0.1 -0.718 48.0 177.8 -90.2 93.3 25.5 22.2 21.5 193 194 A M H > S+ 0 0 12 -2,-1.2 36,-0.6 1,-0.2 4,-0.5 0.790 72.7 55.6 -76.3 -26.7 26.9 22.3 25.0 194 195 A L H >4 S+ 0 0 81 1,-0.2 3,-0.7 35,-0.1 4,-0.3 0.940 109.9 46.4 -65.8 -42.4 29.5 19.4 24.6 195 196 A E H >4 S+ 0 0 63 1,-0.2 3,-1.4 2,-0.1 -2,-0.2 0.682 90.0 84.6 -78.8 -13.8 31.2 21.1 21.6 196 197 A V H >X S+ 0 0 3 -4,-0.9 4,-2.6 1,-0.3 3,-1.8 0.851 82.6 60.1 -60.8 -35.7 31.3 24.6 23.2 197 198 A E T << S+ 0 0 55 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 0.809 103.8 52.5 -59.4 -25.0 34.6 23.8 25.1 198 199 A F T <4 S+ 0 0 91 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.288 121.8 26.9 -97.5 12.9 36.3 23.2 21.7 199 200 A L T <4 S+ 0 0 17 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.586 104.3 68.2-131.9 -46.2 35.3 26.5 20.2 200 201 A C < - 0 0 9 -4,-2.6 -1,-0.2 1,-0.1 17,-0.2 -0.605 44.1-165.1 -98.4 144.2 34.7 29.3 22.7 201 202 A D S S+ 0 0 83 -171,-2.9 16,-1.1 1,-0.3 2,-0.3 0.861 86.3 9.7 -82.5 -44.3 37.1 31.1 24.9 202 203 A R E S-eH 31 216B 43 -172,-1.5 -170,-2.5 14,-0.2 -1,-0.3 -0.951 71.3-167.1-135.1 155.3 34.3 32.6 27.1 203 204 A I E -eH 32 215B 0 12,-2.7 12,-2.0 -2,-0.3 2,-0.4 -0.924 19.4-149.1-141.0 156.0 30.5 31.9 27.4 204 205 A A E -eH 33 214B 0 -172,-2.3 -170,-2.8 -2,-0.3 2,-0.5 -0.994 24.6-141.1-121.2 122.3 27.3 33.2 28.9 205 206 A L E -eH 34 213B 0 8,-2.6 7,-2.4 -2,-0.4 8,-0.9 -0.758 21.6-164.2 -84.3 125.4 24.9 30.5 29.7 206 207 A I E + H 0 211B 0 -172,-2.9 2,-0.4 -2,-0.5 5,-0.2 -0.932 14.4 173.5-123.4 135.4 21.3 31.6 28.8 207 208 A H E > S- H 0 210B 48 3,-2.6 3,-1.8 -2,-0.4 -168,-0.1 -0.983 72.4 -18.2-142.8 123.1 18.0 30.1 30.0 208 209 A N T 3 S- 0 0 95 -2,-0.4 -169,-0.1 1,-0.3 -168,-0.1 0.806 129.3 -49.5 49.8 34.7 14.6 31.5 29.3 209 210 A G T 3 S+ 0 0 0 -170,-1.2 -190,-2.8 1,-0.3 2,-0.3 0.701 117.6 107.2 80.6 17.8 16.0 34.8 28.5 210 211 A T E < -H 207 0B 49 -3,-1.8 -3,-2.6 -192,-0.2 2,-0.7 -0.975 69.2-126.6-126.7 143.1 18.2 35.1 31.6 211 212 A I E +H 206 0B 40 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.822 27.2 178.0 -87.3 117.5 22.0 34.8 31.9 212 213 A V E - 0 0 39 -7,-2.4 2,-0.3 -2,-0.7 -1,-0.1 0.533 63.4 -7.7-100.8 -12.5 22.5 32.2 34.6 213 214 A E E -H 205 0B 35 -8,-0.9 -8,-2.6 2,-0.0 -1,-0.3 -0.935 55.9-169.3-172.4 162.5 26.3 32.2 34.5 214 215 A T E +H 204 0B 45 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.955 30.0 98.6-151.9 158.4 29.3 33.5 32.6 215 216 A G E S-H 203 0B 4 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.1 -0.851 71.5 -46.5 153.3 178.9 33.0 32.9 32.5 216 217 A T E > -H 202 0B 44 -2,-0.3 4,-2.1 -14,-0.3 -14,-0.2 -0.466 58.2-112.6 -67.9 156.3 35.8 31.1 30.6 217 218 A V H > S+ 0 0 11 -16,-1.1 4,-2.4 1,-0.2 5,-0.2 0.922 118.8 48.8 -58.7 -43.2 34.9 27.5 29.9 218 219 A E H > S+ 0 0 96 -17,-0.3 4,-2.7 1,-0.2 5,-0.2 0.903 108.5 53.2 -64.9 -42.3 37.7 26.3 32.2 219 220 A E H > S+ 0 0 90 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.865 111.0 47.1 -56.5 -46.2 36.5 28.7 35.1 220 221 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 6,-0.2 0.921 112.2 48.7 -64.8 -47.9 33.0 27.3 34.9 221 222 A K H <>S+ 0 0 26 -4,-2.4 5,-2.1 -5,-0.2 4,-0.5 0.904 116.8 42.7 -56.7 -44.0 34.1 23.7 34.8 222 223 A E H ><5S+ 0 0 117 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.946 113.1 53.2 -71.1 -41.8 36.4 24.3 37.8 223 224 A R H 3<5S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 120.9 30.8 -57.8 -45.6 33.8 26.3 39.6 224 225 A Y T 3<5S- 0 0 59 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.271 104.6-121.6-100.9 12.7 31.1 23.6 39.2 225 226 A K T < 5 + 0 0 174 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.893 64.8 146.9 48.7 48.1 33.4 20.6 39.4 226 227 A A < - 0 0 6 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.901 51.8-151.6-122.0 141.6 32.0 19.6 36.0 227 228 A Q S S+ 0 0 166 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.571 83.6 22.0 -93.5 -10.0 33.9 17.9 33.1 228 229 A N S > S- 0 0 30 -7,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.977 79.1-110.2-154.5 166.2 31.6 19.5 30.5 229 230 A I H > S+ 0 0 0 -36,-0.6 4,-2.9 -2,-0.3 5,-0.2 0.803 110.9 61.4 -72.7 -27.1 29.4 22.5 30.0 230 231 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 105.1 50.3 -67.5 -36.2 26.1 20.6 29.8 231 232 A E H > S+ 0 0 81 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.931 110.6 49.4 -65.9 -42.9 26.8 19.5 33.4 232 233 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.955 111.7 48.5 -55.6 -52.6 27.5 23.1 34.4 233 234 A F H X S+ 0 0 17 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.956 114.1 46.3 -54.6 -50.6 24.2 24.2 32.7 234 235 A E H X S+ 0 0 118 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.897 112.8 49.1 -61.5 -45.3 22.3 21.5 34.5 235 236 A E H < S+ 0 0 112 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.891 114.6 47.0 -56.5 -42.3 23.9 22.2 37.8 236 237 A V H < S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.895 114.0 41.3 -76.0 -41.5 23.1 25.9 37.5 237 238 A V H < 0 0 34 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.427 360.0 360.0 -98.4 -1.0 19.5 25.9 36.3 238 239 A K < 0 0 239 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 -0.198 360.0 360.0-157.6 360.0 18.0 23.2 38.6