==== 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 HYDROLASE 16-MAR-01 1I8U . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR V.NOTENBOOM,A.B.BORASTON,R.A.J.WARREN,D.G.KILBURN,D.R.ROSE . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 37.0 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 19 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.1 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+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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 2 0 2 2 1 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 0 0 0 0 0 0 0 0 0 1 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 0 A M 0 0 84 0, 0.0 183,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.4 39.3 56.1 6.2 2 1 A V E +a 184 0A 115 181,-0.2 2,-0.3 183,-0.1 183,-0.2 -0.967 360.0 164.5-126.8 139.5 36.7 58.8 5.5 3 2 A A E -a 185 0A 3 181,-2.4 183,-3.0 -2,-0.4 2,-0.3 -0.867 23.0-129.8-140.9 172.5 32.9 58.6 5.3 4 3 A T E -a 186 0A 46 -2,-0.3 2,-0.4 181,-0.2 42,-0.3 -0.941 7.1-160.3-131.8 154.2 29.9 60.9 5.4 5 4 A A E -a 187 0A 0 181,-2.4 183,-1.8 -2,-0.3 42,-0.2 -0.993 19.6-134.6-134.4 124.7 26.6 61.2 7.3 6 5 A K E -ab 188 47A 64 40,-0.8 42,-1.6 -2,-0.4 183,-0.2 -0.440 29.8-100.0 -79.2 150.6 23.7 63.3 6.1 7 6 A Y E + b 0 48A 93 181,-1.1 2,-0.2 182,-0.7 42,-0.2 -0.448 68.6 117.3 -66.7 139.8 21.6 65.5 8.3 8 7 A G - 0 0 6 40,-2.9 46,-0.1 -2,-0.1 39,-0.0 -0.832 55.6-125.4 166.0 156.4 18.4 63.9 9.4 9 8 A T - 0 0 84 -2,-0.2 2,-0.1 38,-0.1 10,-0.1 -0.857 28.8-176.4-126.5 98.1 16.3 62.5 12.3 10 9 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 6,-0.1 -0.385 31.9-106.4 -86.5 168.7 15.0 58.9 12.0 11 10 A V - 0 0 90 4,-0.1 2,-1.0 -2,-0.1 3,-0.3 -0.838 29.2-129.0 -96.2 128.3 12.7 57.1 14.4 12 11 A I S S+ 0 0 22 -2,-0.5 107,-0.1 1,-0.2 121,-0.0 -0.687 70.5 107.3 -81.7 105.1 14.5 54.5 16.6 13 12 A D S S- 0 0 72 -2,-1.0 -1,-0.2 2,-0.3 108,-0.1 0.334 90.5 -99.5-157.1 -1.4 12.5 51.3 16.2 14 13 A G S S+ 0 0 0 1,-0.4 2,-0.3 -3,-0.3 108,-0.1 0.418 87.8 116.7 89.3 -4.2 14.5 48.9 14.0 15 14 A E S S- 0 0 105 -4,-0.2 2,-0.9 106,-0.0 -1,-0.4 -0.762 73.2-113.6 -96.3 146.1 12.5 49.8 10.9 16 15 A I - 0 0 82 -2,-0.3 5,-0.0 -3,-0.1 115,-0.0 -0.691 29.0-148.5 -86.6 104.4 14.3 51.3 8.0 17 16 A D > - 0 0 37 -2,-0.9 3,-1.3 -6,-0.2 4,-0.3 -0.340 22.6-118.2 -65.0 151.9 13.1 54.9 7.5 18 17 A E G > S+ 0 0 167 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.872 110.3 69.9 -59.2 -37.3 13.2 56.2 3.9 19 18 A I G > S+ 0 0 53 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.768 81.9 72.0 -52.8 -30.2 15.6 58.9 4.9 20 19 A W G X S+ 0 0 1 -3,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.773 87.3 65.1 -59.1 -25.8 18.4 56.3 5.5 21 20 A N G < S+ 0 0 109 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.642 89.6 67.8 -72.1 -13.3 18.6 55.9 1.7 22 21 A T G < S+ 0 0 80 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.519 94.7 63.9 -84.8 -5.6 19.8 59.5 1.4 23 22 A T S < S- 0 0 6 -3,-1.2 -18,-0.1 -4,-0.2 24,-0.1 -0.829 93.0 -93.3-117.6 157.1 23.1 58.8 3.1 24 23 A E - 0 0 81 -2,-0.3 22,-0.6 -20,-0.2 2,-0.5 -0.256 31.2-131.4 -68.9 155.0 26.0 56.6 2.1 25 24 A E E -C 45 0A 62 20,-0.1 2,-0.3 -4,-0.1 20,-0.2 -0.899 21.8-167.1-106.1 131.7 26.4 53.0 3.2 26 25 A I E -C 44 0A 12 18,-3.0 18,-3.4 -2,-0.5 2,-0.3 -0.803 9.7-139.3-113.7 161.8 29.7 51.9 4.6 27 26 A E E -C 43 0A 59 -2,-0.3 2,-1.0 16,-0.2 16,-0.2 -0.927 15.2-122.6-123.1 148.0 30.9 48.3 5.2 28 27 A T + 0 0 3 14,-1.6 140,-0.3 -2,-0.3 14,-0.2 -0.775 52.9 141.3 -87.3 105.7 32.8 46.7 8.0 29 28 A K + 0 0 141 -2,-1.0 2,-1.3 138,-0.5 139,-0.2 0.337 30.8 108.1-126.3 2.8 35.8 45.1 6.2 30 29 A A E -D 167 0A 18 137,-3.0 137,-2.2 -3,-0.1 2,-0.3 -0.701 60.2-155.7 -86.2 93.6 38.6 45.7 8.6 31 30 A V E +D 166 0A 51 -2,-1.3 135,-0.2 135,-0.2 3,-0.1 -0.548 34.8 158.4 -78.4 130.3 39.2 42.2 9.9 32 31 A A E S+ 0 0 39 133,-2.9 2,-0.3 1,-0.4 134,-0.2 0.616 79.8 8.7-112.8 -34.9 40.8 41.7 13.3 33 32 A M E S+D 165 0A 87 132,-2.1 132,-2.6 2,-0.0 -1,-0.4 -0.985 115.9 4.9-150.1 137.2 39.5 38.1 13.8 34 33 A G S S- 0 0 40 -2,-0.3 2,-0.3 130,-0.2 130,-0.1 -0.521 84.0 -77.7 89.7-161.0 37.6 35.7 11.4 35 34 A S >> - 0 0 39 -2,-0.2 4,-2.7 1,-0.1 3,-1.0 -0.977 23.3-118.5-142.7 155.7 36.9 36.4 7.7 36 35 A L T 34 S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.869 114.1 47.7 -59.9 -39.0 34.5 38.4 5.7 37 36 A D T 34 S+ 0 0 145 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.523 123.1 31.8 -82.7 -5.3 33.0 35.4 4.0 38 37 A K T <4 S+ 0 0 69 -3,-1.0 2,-0.2 2,-0.1 -2,-0.2 0.592 110.9 57.1-125.2 -18.2 32.5 33.4 7.2 39 38 A N S < S- 0 0 18 -4,-2.7 21,-0.1 1,-0.1 2,-0.1 -0.691 90.5 -70.3-119.0 171.2 31.8 35.9 10.0 40 39 A A + 0 0 0 -2,-0.2 2,-0.3 19,-0.1 21,-0.2 -0.306 52.6 167.3 -60.3 128.5 29.4 38.6 11.0 41 40 A T E - E 0 60A 31 19,-0.9 19,-2.7 -2,-0.1 2,-0.3 -0.895 19.2-140.4-135.9 164.8 29.6 41.9 9.1 42 41 A A E - E 0 59A 3 -2,-0.3 -14,-1.6 17,-0.2 2,-0.5 -0.965 11.3-143.9-135.7 150.0 27.4 44.9 8.8 43 42 A K E -CE 27 58A 113 15,-1.9 15,-2.8 -2,-0.3 2,-0.4 -0.945 36.5-159.3-104.3 125.6 26.2 47.4 6.2 44 43 A V E -CE 26 57A 0 -18,-3.4 -18,-3.0 -2,-0.5 2,-0.4 -0.926 21.6-175.5-122.6 138.5 26.0 50.8 7.9 45 44 A R E -CE 25 56A 54 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.948 13.7-160.1-122.4 142.4 24.2 54.0 7.3 46 45 A V E + E 0 55A 3 -22,-0.6 -40,-0.8 -2,-0.4 2,-0.3 -0.989 13.0 171.2-132.7 132.8 24.8 57.1 9.4 47 46 A L E -bE 6 54A 0 7,-2.3 7,-3.3 -2,-0.4 2,-0.3 -0.802 9.4-167.9-127.5 169.4 22.7 60.3 10.0 48 47 A W E +bE 7 53A 4 -42,-1.6 -40,-2.9 -2,-0.3 2,-0.3 -0.997 13.0 178.4-159.0 157.5 22.9 63.2 12.4 49 48 A D - 0 0 8 3,-2.2 3,-0.1 -2,-0.3 -40,-0.0 -0.850 56.5 -75.5-145.6-179.8 21.2 66.3 13.8 50 49 A E S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 86,-0.0 0.754 128.3 29.9 -54.6 -26.7 22.1 68.9 16.4 51 50 A N S S+ 0 0 92 1,-0.1 85,-2.0 89,-0.1 2,-0.3 0.697 119.0 29.7-109.7 -22.0 21.5 66.5 19.3 52 51 A Y E - F 0 135A 80 83,-0.3 -3,-2.2 -3,-0.1 2,-0.4 -0.939 54.0-137.1-141.6 162.8 22.3 63.0 18.1 53 52 A L E -EF 48 134A 0 81,-2.3 81,-3.1 -2,-0.3 2,-0.4 -0.949 31.2-152.2-111.4 133.2 24.3 60.7 15.9 54 53 A Y E -EF 47 133A 13 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.4 -0.937 10.9-169.9-115.8 134.7 22.2 58.0 14.3 55 54 A V E -EF 46 132A 2 77,-2.4 77,-2.8 -2,-0.4 2,-0.6 -0.979 9.9-169.3-128.1 127.3 23.4 54.6 13.2 56 55 A L E -EF 45 131A 2 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.6 -0.950 13.5-177.5-113.3 111.7 21.7 52.0 11.2 57 56 A A E -EF 44 130A 0 73,-3.3 73,-3.2 -2,-0.6 2,-0.8 -0.936 12.9-164.2-117.2 115.7 23.6 48.7 11.2 58 57 A I E -EF 43 129A 49 -15,-2.8 -15,-1.9 -2,-0.6 2,-0.4 -0.858 18.6-159.0 -98.1 107.5 22.3 45.7 9.2 59 58 A V E -EF 42 128A 1 69,-2.9 69,-1.7 -2,-0.8 2,-0.7 -0.764 12.9-150.4 -96.9 129.9 24.2 42.7 10.5 60 59 A K E +EF 41 127A 89 -19,-2.7 -19,-0.9 -2,-0.4 67,-0.3 -0.855 39.5 141.5 -94.5 114.4 24.6 39.4 8.6 61 60 A D - 0 0 3 65,-2.7 3,-0.1 -2,-0.7 65,-0.1 -0.760 32.7-169.0-160.5 108.0 24.9 36.6 11.1 62 61 A P S S+ 0 0 108 0, 0.0 2,-0.5 0, 0.0 65,-0.1 0.691 80.6 47.6 -72.0 -21.7 23.3 33.1 10.8 63 62 A V S S- 0 0 62 63,-0.1 2,-0.5 93,-0.1 93,-0.2 -0.951 71.6-160.6-128.0 112.7 23.9 32.0 14.4 64 63 A L + 0 0 55 -2,-0.5 2,-0.3 -3,-0.1 93,-0.1 -0.809 19.6 163.3 -98.2 126.5 22.9 34.3 17.3 65 64 A N + 0 0 12 -2,-0.5 10,-2.7 91,-0.2 91,-0.2 -0.998 24.5 165.7-143.8 143.4 24.5 33.7 20.7 66 65 A K + 0 0 64 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.009 44.6 117.6-143.0 28.2 25.0 35.6 23.9 67 66 A D + 0 0 122 6,-0.1 2,-0.1 94,-0.0 7,-0.1 0.792 49.5 96.4 -70.2 -29.8 26.0 32.9 26.3 68 67 A N S S- 0 0 33 5,-0.4 5,-0.1 1,-0.1 92,-0.1 -0.396 74.1-137.0 -66.4 136.7 29.4 34.3 27.1 69 68 A S S S+ 0 0 106 -2,-0.1 -1,-0.1 91,-0.1 5,-0.1 0.757 85.9 82.6 -65.1 -27.8 29.6 36.4 30.2 70 69 A N S > S- 0 0 55 1,-0.1 3,-1.9 3,-0.1 -2,-0.1 -0.701 76.4-145.0 -80.8 123.0 31.7 39.1 28.5 71 70 A P G > S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.824 99.0 58.1 -57.4 -31.6 29.4 41.4 26.6 72 71 A W G 3 S+ 0 0 102 1,-0.3 4,-0.2 27,-0.0 83,-0.1 0.584 100.5 57.4 -75.7 -8.6 32.0 41.8 23.9 73 72 A E G < S+ 0 0 47 -3,-1.9 -5,-0.4 -5,-0.1 2,-0.3 0.074 92.9 86.5-107.1 21.6 32.0 38.1 23.3 74 73 A Q S < S- 0 0 24 -3,-1.3 2,-0.5 -8,-0.1 -8,-0.2 -0.836 102.4 -85.7-113.1 153.6 28.2 38.1 22.6 75 74 A D S S+ 0 0 0 -10,-2.7 27,-1.5 -2,-0.3 2,-0.3 -0.481 82.1 128.3 -63.4 113.8 26.8 38.8 19.1 76 75 A S E -GH 101 154A 0 78,-1.1 78,-3.1 -2,-0.5 2,-0.4 -0.984 55.8-116.1-162.2 170.0 26.8 42.6 19.2 77 76 A V E -GH 100 153A 1 23,-2.6 23,-2.0 -2,-0.3 2,-0.4 -0.925 20.1-158.6-118.9 139.5 27.7 45.9 17.7 78 77 A E E -GH 99 152A 4 74,-2.9 74,-3.0 -2,-0.4 2,-0.5 -0.964 3.6-160.8-119.7 135.5 30.0 48.5 19.1 79 78 A I E -GH 98 151A 0 19,-2.5 19,-2.5 -2,-0.4 2,-0.4 -0.965 6.1-160.8-119.0 129.7 30.0 52.1 18.1 80 79 A F E -GH 97 150A 0 70,-3.1 70,-1.5 -2,-0.5 2,-0.4 -0.910 5.9-170.9-114.2 138.7 32.9 54.4 18.8 81 80 A I E -GH 96 149A 3 15,-2.4 15,-2.3 -2,-0.4 2,-0.4 -0.988 17.4-178.8-132.4 137.7 32.9 58.2 18.9 82 81 A D E > -GH 95 148A 0 66,-2.2 66,-3.2 -2,-0.4 3,-1.0 -0.863 13.4-173.0-130.9 90.7 35.6 60.8 19.1 83 82 A E T 3 S+ 0 0 5 11,-0.9 -1,-0.1 -2,-0.4 63,-0.1 0.820 83.6 36.7 -59.6 -39.9 33.7 64.2 19.1 84 83 A N T 3 S- 0 0 61 63,-0.1 -1,-0.2 55,-0.0 63,-0.1 0.383 101.2-134.6 -93.6 4.3 36.7 66.6 18.9 85 84 A N < + 0 0 39 -3,-1.0 -2,-0.1 1,-0.1 64,-0.1 0.799 52.7 149.4 45.2 41.0 38.4 64.2 16.5 86 85 A H - 0 0 114 62,-0.1 -1,-0.1 1,-0.0 94,-0.1 0.698 46.9-143.7 -72.2 -18.4 41.8 64.5 18.3 87 86 A K + 0 0 56 92,-0.1 93,-0.1 1,-0.1 -1,-0.0 0.916 33.5 177.8 54.9 46.3 42.6 61.0 17.3 88 87 A T - 0 0 24 2,-0.2 92,-1.6 1,-0.1 93,-0.2 -0.218 41.5-120.8 -74.8 168.1 44.4 60.3 20.6 89 88 A G S S+ 0 0 50 90,-0.2 2,-0.3 89,-0.2 -1,-0.1 0.377 97.9 31.4 -91.3 3.5 46.0 57.0 21.7 90 89 A Y S S- 0 0 152 88,-0.1 2,-0.4 90,-0.0 -2,-0.2 -0.930 101.7 -78.5-149.9 165.8 43.7 56.9 24.7 91 90 A Y - 0 0 31 -2,-0.3 2,-0.1 86,-0.2 20,-0.1 -0.581 38.2-161.7 -79.1 128.2 40.2 58.1 25.5 92 91 A E > - 0 0 45 -2,-0.4 3,-1.6 -4,-0.1 -1,-0.0 -0.430 44.2 -88.9 -93.3 175.4 39.6 61.8 26.3 93 92 A D T 3 S+ 0 0 142 1,-0.3 -2,-0.1 -2,-0.1 -1,-0.0 0.787 128.5 51.4 -56.7 -29.9 36.5 62.9 28.1 94 93 A D T 3 S+ 0 0 7 44,-0.1 -11,-0.9 43,-0.0 -1,-0.3 0.527 91.5 95.2 -86.3 -8.3 34.6 63.3 24.8 95 94 A D E < +G 82 0A 0 -3,-1.6 2,-0.3 -13,-0.2 -13,-0.2 -0.581 53.2 176.6 -87.0 148.5 35.5 59.8 23.5 96 95 A A E -G 81 0A 1 -15,-2.3 -15,-2.4 -2,-0.2 2,-0.4 -1.000 27.3-154.0-155.8 153.3 33.1 56.9 24.0 97 96 A Q E -G 80 0A 9 13,-1.4 12,-2.4 -2,-0.3 2,-0.3 -0.994 18.1-175.9-127.6 123.7 32.3 53.3 23.3 98 97 A F E -GI 79 108A 0 -19,-2.5 -19,-2.5 -2,-0.4 2,-0.3 -0.913 2.7-169.9-118.5 148.2 28.7 52.0 23.2 99 98 A R E +GI 78 107A 15 8,-2.0 8,-2.3 -2,-0.3 2,-0.3 -0.997 10.0 173.5-141.2 143.7 27.6 48.4 22.7 100 99 A V E -GI 77 106A 0 -23,-2.0 -23,-2.6 -2,-0.3 6,-0.2 -0.980 17.3-147.2-148.1 133.8 24.3 46.6 22.1 101 100 A N E > -G 76 0A 5 4,-1.7 3,-2.2 -2,-0.3 -25,-0.2 -0.378 40.0 -89.3 -94.7 178.8 23.6 42.9 21.4 102 101 A Y T 3 S+ 0 0 33 -27,-1.5 27,-0.1 1,-0.3 -26,-0.1 0.597 126.9 58.8 -63.9 -10.7 21.0 41.3 19.2 103 102 A M T 3 S- 0 0 106 2,-0.1 -1,-0.3 19,-0.0 3,-0.1 0.244 119.1-111.7 -99.9 9.6 18.6 41.2 22.2 104 103 A N < + 0 0 64 -3,-2.2 2,-0.6 1,-0.2 -2,-0.1 0.783 66.8 149.7 64.7 31.6 18.9 45.0 22.5 105 104 A E - 0 0 85 -4,-0.1 -4,-1.7 0, 0.0 2,-0.3 -0.852 35.6-145.3 -97.2 123.2 20.8 44.9 25.7 106 105 A Q E +I 100 0A 60 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.660 21.7 172.9 -93.7 145.1 23.2 47.8 26.1 107 106 A T E -I 99 0A 45 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.4 -0.908 18.8-137.7-138.6 163.3 26.6 47.8 27.8 108 107 A F E -I 98 0A 67 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.973 13.0-167.3-137.5 146.3 29.2 50.5 27.9 109 108 A G > - 0 0 22 -12,-2.4 3,-1.6 -2,-0.4 -12,-0.1 -0.197 64.3 -32.1-103.5-160.7 32.9 51.1 27.6 110 109 A T T 3 S+ 0 0 86 66,-0.4 -13,-1.4 1,-0.2 -1,-0.3 -0.314 133.6 7.4 -58.4 136.7 34.9 54.2 28.5 111 110 A G T 3 S+ 0 0 25 -15,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.236 98.6 125.1 78.0 -15.6 32.8 57.3 27.9 112 111 A G < + 0 0 18 -3,-1.6 -1,-0.2 -15,-0.3 -4,-0.1 -0.476 34.0 178.7 -79.7 150.3 29.6 55.5 27.1 113 112 A S > - 0 0 37 -2,-0.1 3,-1.9 -6,-0.1 -6,-0.1 -0.983 37.9-137.2-152.6 138.5 26.3 56.1 29.0 114 113 A P G > S+ 0 0 83 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.761 105.9 68.6 -64.8 -20.8 22.7 54.8 28.9 115 114 A A G 3 S+ 0 0 82 1,-0.2 3,-0.0 -3,-0.0 -3,-0.0 0.660 109.0 35.4 -70.3 -15.6 21.7 58.5 29.3 116 115 A R G < S+ 0 0 27 -3,-1.9 19,-2.0 1,-0.1 2,-0.4 0.112 105.4 83.9-123.4 20.7 23.0 59.1 25.8 117 116 A F E < +J 134 0A 11 -3,-1.1 2,-0.5 17,-0.2 17,-0.2 -0.954 43.7 172.3-134.5 116.7 22.1 55.8 24.1 118 117 A K E +J 133 0A 128 15,-2.2 15,-2.3 -2,-0.4 2,-0.3 -0.985 17.2 172.8-121.7 125.7 18.8 54.8 22.6 119 118 A T E -J 132 0A 17 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.939 21.9-174.8-137.7 158.1 18.5 51.6 20.7 120 119 A A E -J 131 0A 15 11,-1.8 11,-2.4 -2,-0.3 2,-0.4 -0.986 11.9-161.7-145.9 137.6 16.1 49.2 18.9 121 120 A V E -J 130 0A 34 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 5.2-173.6-127.3 136.0 16.9 45.8 17.4 122 121 A K E -J 129 0A 71 7,-2.1 7,-3.2 -2,-0.4 2,-0.1 -0.994 20.8-134.7-129.4 123.5 14.8 43.8 14.9 123 122 A L E +J 128 0A 96 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.475 28.8 178.8 -75.4 149.4 15.8 40.3 13.9 124 123 A I E > -J 127 0A 59 3,-2.7 3,-2.0 -2,-0.1 2,-0.3 -0.880 43.2 -62.2-141.4 172.0 15.7 39.5 10.2 125 124 A E T 3 S+ 0 0 197 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.433 123.6 2.3 -62.0 120.0 16.4 36.5 7.9 126 125 A G T 3 S- 0 0 42 -2,-0.3 -65,-2.7 1,-0.2 2,-0.3 0.615 136.1 -11.4 79.7 13.0 20.1 35.7 8.3 127 126 A G E < S-FJ 60 124A 4 -3,-2.0 -3,-2.7 -67,-0.3 2,-0.3 -0.977 76.7 -77.2 165.7-150.4 20.8 38.4 11.0 128 127 A Y E -FJ 59 123A 0 -69,-1.7 -69,-2.9 -2,-0.3 2,-0.5 -0.997 21.5-128.8-152.7 153.6 19.6 41.4 12.8 129 128 A I E -FJ 58 122A 9 -7,-3.2 -7,-2.1 -2,-0.3 2,-0.5 -0.908 18.1-164.0-107.8 127.0 19.1 45.2 12.4 130 129 A V E -FJ 57 121A 1 -73,-3.2 -73,-3.3 -2,-0.5 2,-0.5 -0.933 6.1-176.4-109.9 129.2 20.5 47.6 15.0 131 130 A E E +FJ 56 120A 0 -11,-2.4 -11,-1.8 -2,-0.5 2,-0.3 -0.988 14.6 173.8-127.2 122.3 19.2 51.2 15.0 132 131 A A E -FJ 55 119A 0 -77,-2.8 -77,-2.4 -2,-0.5 2,-0.4 -0.911 27.5-156.6-134.6 157.8 20.8 53.6 17.4 133 132 A A E -FJ 54 118A 3 -15,-2.3 -15,-2.2 -2,-0.3 2,-0.5 -0.999 12.2-165.1-130.4 125.4 20.9 57.2 18.5 134 133 A I E -FJ 53 117A 1 -81,-3.1 -81,-2.3 -2,-0.4 2,-0.3 -0.963 17.8-135.4-115.7 119.0 23.9 58.5 20.4 135 134 A K E -F 52 0A 83 -19,-2.0 -83,-0.3 -2,-0.5 -84,-0.1 -0.564 25.8-112.3 -75.6 130.3 23.5 61.9 22.2 136 135 A W - 0 0 11 -85,-2.0 -1,-0.1 -2,-0.3 -42,-0.0 -0.318 29.1-170.4 -60.1 142.6 26.3 64.3 21.7 137 136 A K S S+ 0 0 100 -43,-0.2 -1,-0.1 -3,-0.0 -42,-0.1 0.799 78.0 10.2-104.6 -41.1 28.2 64.9 24.9 138 137 A T S S+ 0 0 76 -44,-0.2 2,-0.3 1,-0.0 -2,-0.1 0.446 115.1 64.3-121.6 -2.2 30.6 67.8 24.2 139 138 A I - 0 0 46 -45,-0.1 -3,-0.1 -88,-0.1 -55,-0.0 -0.908 49.7-157.0-131.5 157.8 29.5 69.2 20.8 140 139 A K - 0 0 81 -2,-0.3 -90,-0.1 -3,-0.0 -89,-0.1 -0.782 41.7-145.0-124.0 78.3 26.7 71.0 18.9 141 140 A P - 0 0 8 0, 0.0 3,-0.0 0, 0.0 -5,-0.0 0.014 18.0-169.9 -49.3 147.4 27.7 69.9 15.3 142 141 A T > - 0 0 82 45,-0.1 3,-1.8 1,-0.1 45,-0.2 -0.874 45.2 -61.1-132.0 163.3 27.2 72.0 12.3 143 142 A P T 3 S+ 0 0 70 0, 0.0 45,-0.2 0, 0.0 3,-0.1 -0.190 122.9 19.9 -51.8 135.7 27.6 71.1 8.6 144 143 A N T 3 S+ 0 0 124 43,-3.2 44,-0.2 1,-0.3 2,-0.2 0.481 85.2 143.5 81.4 7.8 31.1 69.9 7.6 145 144 A T E < - K 0 187A 39 -3,-1.8 42,-3.1 42,-0.7 2,-0.4 -0.510 38.6-148.6 -72.5 145.7 32.0 69.1 11.2 146 145 A V E + K 0 186A 61 40,-0.2 2,-0.2 -2,-0.2 40,-0.2 -0.978 17.4 179.5-125.7 126.8 34.2 66.0 11.4 147 146 A I E - K 0 185A 0 38,-2.2 38,-2.6 -2,-0.4 2,-0.4 -0.721 35.0-102.0-117.3 168.8 34.3 63.4 14.2 148 147 A G E +HK 82 184A 0 -66,-3.2 -66,-2.2 -2,-0.2 2,-0.3 -0.743 50.9 173.8 -87.8 139.4 36.3 60.2 14.8 149 148 A F E +HK 81 183A 0 34,-2.2 34,-3.1 -2,-0.4 2,-0.3 -0.999 17.7 158.4-153.3 147.0 34.1 57.2 14.2 150 149 A N E -H 80 0A 0 -70,-1.5 -70,-3.1 -2,-0.3 2,-0.4 -0.976 17.8-155.1-160.4 155.8 34.1 53.4 14.0 151 150 A I E -H 79 0A 0 -2,-0.3 17,-1.3 -72,-0.2 2,-0.4 -0.993 13.3-164.6-139.8 129.5 31.7 50.5 14.3 152 151 A Q E -HL 78 167A 3 -74,-3.0 -74,-2.9 -2,-0.4 2,-0.5 -0.912 8.9-152.5-119.2 142.7 32.6 47.0 15.3 153 152 A V E -HL 77 166A 0 13,-2.9 13,-1.8 -2,-0.4 2,-0.4 -0.959 8.9-156.8-115.6 122.2 30.7 43.7 14.9 154 153 A N E -HL 76 165A 0 -78,-3.1 -78,-1.1 -2,-0.5 2,-0.5 -0.815 8.2-158.3 -95.5 136.3 31.4 40.9 17.4 155 154 A D E - L 0 164A 11 9,-2.6 8,-3.1 -2,-0.4 9,-1.8 -0.958 10.7-178.1-121.9 114.9 30.6 37.4 16.2 156 155 A A E - L 0 162A 0 -2,-0.5 6,-0.2 6,-0.3 -91,-0.2 -0.852 16.1-139.5-109.4 145.4 30.0 34.6 18.7 157 156 A N > - 0 0 24 4,-2.3 3,-2.1 -2,-0.3 4,-0.1 -0.309 40.1 -83.3 -93.5-176.8 29.3 31.0 17.7 158 157 A E T 3 S+ 0 0 115 1,-0.3 -92,-0.1 2,-0.1 -1,-0.0 0.626 126.8 62.0 -62.5 -13.5 26.9 28.5 19.2 159 158 A K T 3 S- 0 0 144 2,-0.2 -1,-0.3 -94,-0.1 3,-0.1 0.315 116.3-110.7 -95.2 6.3 29.5 27.7 21.9 160 159 A G S < S+ 0 0 5 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.730 77.0 130.9 72.0 20.9 29.5 31.2 23.3 161 160 A Q - 0 0 102 -4,-0.1 -4,-2.3 -93,-0.1 2,-0.6 -0.880 62.1-120.2-107.8 138.2 33.0 31.8 21.9 162 161 A R E + L 0 156A 39 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.670 38.9 163.5 -79.9 122.4 33.9 35.0 19.9 163 162 A V E + 0 0 48 -8,-3.1 2,-0.4 -2,-0.6 -7,-0.2 0.460 57.9 51.8-114.6 -7.8 35.1 33.9 16.5 164 163 A G E + L 0 155A 1 -9,-1.8 -9,-2.6 -130,-0.1 2,-0.4 -0.995 44.3 171.0-140.3 137.3 34.8 37.2 14.6 165 164 A I E +DL 33 154A 9 -132,-2.6 -133,-2.9 -2,-0.4 -132,-2.1 -0.902 21.5 156.4-140.5 105.4 35.9 40.8 15.2 166 165 A I E +DL 31 153A 0 -13,-1.8 -13,-2.9 -2,-0.4 2,-0.2 -0.996 8.4 167.3-138.2 132.0 35.4 43.1 12.2 167 166 A S E -DL 30 152A 0 -137,-2.2 -137,-3.0 -2,-0.4 -138,-0.5 -0.706 42.5-107.5-131.6-176.9 35.0 46.8 12.0 168 167 A W S S+ 0 0 37 -17,-1.3 -139,-0.3 -140,-0.3 -1,-0.1 0.938 108.9 6.2 -79.6 -50.4 35.0 49.7 9.6 169 168 A S S S+ 0 0 26 1,-0.1 -1,-0.1 -18,-0.1 -19,-0.1 0.555 115.3 72.4-113.5 -9.4 38.3 51.4 10.3 170 169 A D + 0 0 2 -19,-0.2 3,-0.3 -140,-0.2 -3,-0.3 -0.906 34.9 168.1-120.6 112.0 40.2 49.2 12.8 171 170 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -140,-0.0 0.293 77.4 65.2 -97.2 9.3 41.7 45.8 11.9 172 171 A T S S- 0 0 63 9,-0.1 -140,-0.1 -142,-0.0 -141,-0.1 0.440 98.2-124.3-111.2 -0.4 43.6 45.6 15.3 173 172 A N S S+ 0 0 44 -3,-0.3 3,-0.1 1,-0.1 -7,-0.0 0.890 77.2 116.6 57.8 42.8 40.8 45.3 17.8 174 173 A N >> + 0 0 29 4,-0.1 4,-2.2 1,-0.1 3,-1.8 0.275 32.5 105.3-120.3 8.0 42.1 48.4 19.8 175 174 A S T 34 + 0 0 0 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.804 69.6 69.1 -59.4 -30.1 39.1 50.7 19.3 176 175 A W T 34 S+ 0 0 115 1,-0.2 -66,-0.4 -3,-0.1 -1,-0.3 0.629 122.9 11.3 -65.2 -12.5 38.0 50.1 22.9 177 176 A R T <4 S+ 0 0 134 -3,-1.8 -2,-0.2 1,-0.1 -86,-0.2 0.441 119.6 66.6-141.7 -7.3 41.0 52.1 24.1 178 177 A D >< - 0 0 27 -4,-2.2 3,-2.2 -88,-0.1 4,-0.2 -0.794 45.0-177.4-130.3 93.4 42.6 53.8 21.0 179 178 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -90,-0.2 0.715 80.7 75.6 -57.5 -22.5 40.8 56.6 19.2 180 179 A S G 3 S+ 0 0 55 -92,-1.6 -91,-0.1 1,-0.3 -5,-0.1 0.632 89.2 61.5 -66.3 -10.0 43.6 56.9 16.7 181 180 A K G < S+ 0 0 55 -3,-2.2 -1,-0.3 -93,-0.2 -6,-0.1 0.537 85.3 95.1 -91.9 -8.8 42.1 53.7 15.2 182 181 A F S < S- 0 0 8 -3,-1.9 -32,-0.2 -4,-0.2 2,-0.1 -0.347 72.2-127.3 -77.0 164.5 38.8 55.3 14.4 183 182 A G E - K 0 149A 2 -34,-3.1 -34,-2.2 -2,-0.1 2,-0.5 -0.257 29.3 -91.8 -97.4-169.8 38.1 56.6 10.9 184 183 A N E -aK 2 148A 49 -183,-3.4 -181,-2.4 -36,-0.2 2,-0.5 -0.927 32.9-167.5-111.1 132.5 36.8 60.1 10.0 185 184 A L E -aK 3 147A 0 -38,-2.6 -38,-2.2 -2,-0.5 2,-0.5 -0.972 8.8-152.2-121.2 118.9 33.1 60.8 9.6 186 185 A R E -aK 4 146A 24 -183,-3.0 -181,-2.4 -2,-0.5 2,-1.0 -0.795 8.7-144.0 -93.8 126.6 32.0 64.1 8.0 187 186 A L E +aK 5 145A 0 -42,-3.1 -43,-3.2 -2,-0.5 -42,-0.7 -0.782 30.2 180.0 -92.3 102.6 28.7 65.5 9.0 188 187 A I E a 6 0A 43 -183,-1.8 -181,-1.1 -2,-1.0 -140,-0.1 -0.708 360.0 360.0-107.5 156.4 27.2 67.1 5.9 189 188 A K 0 0 83 -2,-0.3 -182,-0.7 -183,-0.2 -1,-0.1 0.938 360.0 360.0 -64.5 360.0 23.9 68.8 5.2