==== 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 TRANSFERASE 12-FEB-05 1WYE . COMPND 2 MOLECULE: 2-KETO-3-DEOXYGLUCONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR T TOYODA,K.SUZUKI,M.T.HOSSAIN,I.KOIKE,T.SEKIGUCHI,A.TAKENAKA . 1854 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1354 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 228 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 9.3 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 . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 1 0.1 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 . 120 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 198 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 564 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.1 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 3 6 3 3 8 5 4 5 6 13 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 18 12 6 6 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 4 1 5 17 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 . 6 0 0 0 0 0 3 6 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 A 0 0 45 0, 0.0 47,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.5 11.4 72.6 71.2 2 3 A K E -a 48 0A 30 45,-0.1 128,-1.8 125,-0.1 127,-1.4 -0.963 360.0-167.5-113.6 121.9 11.5 68.8 70.7 3 4 A L E -ab 49 130A 0 45,-2.6 47,-2.2 -2,-0.5 2,-0.4 -0.948 1.0-167.0-104.5 130.6 9.1 67.1 68.2 4 5 A I E -ab 50 131A 0 126,-2.9 128,-2.8 -2,-0.5 2,-0.4 -0.964 7.6-169.7-110.0 133.1 8.6 63.4 68.2 5 6 A T E -ab 51 132A 0 45,-2.3 47,-2.6 -2,-0.4 2,-0.4 -0.948 6.1-162.0-119.8 146.0 6.8 61.7 65.3 6 7 A L E +a 52 0A 0 126,-2.2 128,-0.4 -2,-0.4 2,-0.3 -0.994 37.8 90.8-129.5 135.5 5.6 58.1 64.8 7 8 A G S S- 0 0 1 45,-1.1 2,-0.4 -2,-0.4 47,-0.2 -0.946 74.2 -56.3 169.1 178.8 4.6 56.4 61.6 8 9 A E - 0 0 3 -2,-0.3 27,-0.3 45,-0.1 28,-0.2 -0.719 43.4-142.7 -88.6 127.3 6.1 54.2 58.8 9 10 A I - 0 0 1 -2,-0.4 78,-0.4 45,-0.3 2,-0.4 -0.557 23.0-156.3 -78.9 152.2 9.1 55.5 56.9 10 11 A L E -I 32 0B 8 22,-3.2 22,-3.8 -2,-0.2 2,-0.6 -0.986 19.4-134.2-135.0 142.1 9.0 54.7 53.2 11 12 A I E -Ij 31 88B 0 76,-1.6 78,-2.2 -2,-0.4 2,-0.4 -0.862 32.5-147.5 -87.9 131.2 11.5 54.3 50.4 12 13 A E E -Ij 30 89B 0 18,-3.2 18,-1.7 -2,-0.6 2,-0.7 -0.824 13.9-158.8-103.2 136.2 10.1 56.1 47.3 13 14 A F E -Ij 29 90B 0 76,-2.6 78,-1.6 -2,-0.4 2,-0.5 -0.863 20.0-160.2-113.6 92.8 10.6 55.1 43.7 14 15 A N E -Ij 28 91B 0 14,-3.3 14,-3.2 -2,-0.7 2,-0.4 -0.619 22.3-116.6 -84.1 123.2 10.0 58.3 41.8 15 16 A A E -I 27 0B 0 76,-1.9 12,-0.2 -2,-0.5 -1,-0.1 -0.404 18.3-149.6 -57.5 111.3 9.2 58.0 38.1 16 17 A L S S+ 0 0 63 10,-2.4 -1,-0.2 -2,-0.4 11,-0.1 0.711 82.3 34.2 -53.3 -24.8 12.0 59.7 36.3 17 18 A S S S- 0 0 34 9,-0.4 76,-0.4 2,-0.1 891,-0.1 -0.926 89.8-111.2-128.1 158.9 9.6 60.7 33.4 18 19 A P S S+ 0 0 39 0, 0.0 76,-0.2 0, 0.0 -2,-0.0 -0.261 70.1 65.9 -78.4 173.4 5.9 61.6 33.5 19 20 A G S S- 0 0 2 74,-1.8 74,-0.3 895,-0.1 76,-0.3 -0.376 93.4 -21.8 107.3 176.0 3.2 59.4 32.0 20 21 A P >> - 0 0 4 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.347 59.4-125.6 -65.0 135.4 1.8 55.9 32.8 21 22 A L G >4 S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 -4,-0.0 0.824 106.3 68.1 -50.6 -43.6 4.2 53.7 34.8 22 23 A R G 34 S+ 0 0 24 1,-0.3 -1,-0.3 3,-0.0 891,-0.0 0.765 107.9 42.0 -50.6 -25.6 4.0 50.8 32.2 23 24 A H G <4 S+ 0 0 37 -3,-2.2 2,-0.4 890,-0.1 -1,-0.3 0.568 92.1 98.9 -99.2 -5.3 5.9 53.3 29.9 24 25 A V << - 0 0 1 -3,-1.5 3,-0.1 -4,-0.5 -5,-0.0 -0.662 46.4-175.9 -80.0 132.4 8.4 54.7 32.5 25 26 A S + 0 0 45 -2,-0.4 314,-2.3 1,-0.1 2,-0.4 0.596 62.0 50.3-102.1 -14.2 11.9 53.1 32.3 26 27 A Y E - K 0 338B 41 312,-0.2 -10,-2.4 -9,-0.1 -9,-0.4 -0.957 56.6-168.1-134.8 141.8 13.7 54.7 35.2 27 28 A F E -IK 15 337B 0 310,-2.4 310,-2.7 -2,-0.4 2,-0.5 -0.996 12.8-147.1-130.4 135.2 12.8 55.3 38.9 28 29 A E E -IK 14 336B 16 -14,-3.2 -14,-3.3 -2,-0.4 2,-0.3 -0.906 17.2-132.0-110.1 128.5 14.7 57.5 41.2 29 30 A K E +I 13 0B 16 306,-2.6 2,-0.3 -2,-0.5 -16,-0.2 -0.568 31.5 161.1 -85.6 136.2 15.0 56.6 44.9 30 31 A H E -I 12 0B 17 -18,-1.7 -18,-3.2 -2,-0.3 2,-0.4 -0.968 40.9-112.4-143.3 151.3 14.3 59.0 47.8 31 32 A V E +I 11 0B 4 -2,-0.3 260,-0.4 -20,-0.2 261,-0.3 -0.746 54.7 145.0 -83.7 130.3 13.6 58.5 51.4 32 33 A A E +I 10 0B 0 -22,-3.8 -22,-3.2 -2,-0.4 4,-0.1 -0.686 19.1 139.9-146.4-155.3 10.0 59.5 52.3 33 34 A G >> - 0 0 4 -24,-0.3 4,-2.2 -2,-0.2 3,-0.6 0.302 61.4-100.8 104.3 119.1 6.8 58.8 54.4 34 35 A S H 3> S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.763 119.4 47.4 -32.6 -52.3 4.8 61.7 55.9 35 36 A E H 3> S+ 0 0 1 -27,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.918 110.9 51.5 -71.1 -40.1 6.2 61.5 59.4 36 37 A A H <> S+ 0 0 1 -3,-0.6 4,-2.1 -28,-0.2 -1,-0.2 0.946 111.7 49.2 -55.5 -48.0 9.8 61.3 58.2 37 38 A N H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.941 107.3 52.9 -56.2 -52.0 9.0 64.4 56.1 38 39 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.946 107.9 54.5 -48.0 -54.4 7.5 66.3 59.1 39 40 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.913 110.4 42.5 -39.5 -66.9 10.7 65.5 61.0 40 41 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.900 113.3 52.3 -56.8 -44.1 13.1 67.0 58.5 41 42 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.952 112.0 49.0 -56.4 -44.5 10.9 70.1 57.9 42 43 A F H ><>S+ 0 0 0 -4,-2.9 5,-1.1 -5,-0.3 3,-1.0 0.918 111.8 45.2 -60.2 -50.4 10.9 70.6 61.7 43 44 A I H ><5S+ 0 0 37 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.862 103.1 66.0 -61.5 -38.5 14.7 70.3 62.2 44 45 A K H 3<5S+ 0 0 31 -4,-2.4 254,-0.8 1,-0.3 -1,-0.2 0.676 95.3 58.1 -62.6 -19.1 15.4 72.6 59.2 45 46 A Q T <<5S- 0 0 4 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.383 130.7 -88.0 -91.1 0.9 13.8 75.5 61.0 46 47 A G T < 5S+ 0 0 51 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.534 90.4 108.3 110.2 10.7 16.2 75.2 64.0 47 48 A N < - 0 0 21 -5,-1.1 2,-0.3 -4,-0.2 -1,-0.2 -0.195 63.6 -99.0-109.1-161.7 14.6 72.7 66.3 48 49 A E E +a 2 0A 104 -47,-1.8 -45,-2.6 -2,-0.1 2,-0.3 -0.918 35.2 177.5-128.0 144.6 15.0 69.1 67.5 49 50 A C E -a 3 0A 3 -2,-0.3 25,-2.4 23,-0.3 2,-0.3 -0.996 13.4-173.4-149.8 151.2 13.2 65.9 66.4 50 51 A G E -ac 4 74A 0 -47,-2.2 -45,-2.3 -2,-0.3 2,-0.4 -0.922 13.1-146.4-135.2 164.5 12.9 62.2 66.8 51 52 A I E -a 5 0A 1 23,-1.3 2,-0.7 -2,-0.3 26,-0.2 -1.000 4.0-154.3-133.0 134.5 11.0 59.4 65.0 52 53 A I E +a 6 0A 2 -47,-2.6 -45,-1.1 -2,-0.4 2,-0.3 -0.937 45.8 132.3-105.3 111.4 9.5 56.1 66.5 53 54 A A - 0 0 2 -2,-0.7 26,-2.9 24,-0.2 2,-0.4 -0.994 48.9-127.7-160.0 158.3 9.4 53.7 63.6 54 55 A K E +p 79 0C 28 -2,-0.3 -45,-0.3 24,-0.2 2,-0.3 -0.935 25.4 172.8-115.9 131.8 10.2 50.2 62.4 55 56 A V E -p 80 0C 0 24,-2.1 26,-1.8 -2,-0.4 29,-0.1 -0.857 32.4 -95.7-128.2 169.9 12.1 49.3 59.3 56 57 A G E -p 81 0C 0 -2,-0.3 2,-1.7 24,-0.2 6,-0.2 -0.234 32.7-106.0 -83.4 169.2 13.4 46.0 57.9 57 58 A D S S+ 0 0 88 24,-0.8 2,-0.3 27,-0.5 -1,-0.1 -0.384 90.7 109.5 -85.7 55.7 16.8 44.3 58.2 58 59 A D S > S- 0 0 28 -2,-1.7 4,-3.0 1,-0.1 5,-0.3 -0.903 89.0-104.2-134.3 156.6 17.2 45.4 54.6 59 60 A E H > S+ 0 0 29 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.907 121.0 56.5 -43.0 -47.9 19.1 47.9 52.5 60 61 A F H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 110.0 44.5 -56.5 -45.6 15.9 50.0 52.3 61 62 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.962 114.0 47.1 -61.5 -53.9 15.7 50.2 56.1 62 63 A Y H X S+ 0 0 81 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.839 109.4 57.1 -59.1 -29.1 19.4 50.9 56.6 63 64 A N H X S+ 0 0 13 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.902 106.1 50.1 -60.6 -46.4 19.0 53.5 53.8 64 65 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.2 -2,-0.2 0.817 111.5 48.0 -58.3 -38.7 16.2 55.2 55.8 65 66 A I H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.944 113.5 44.5 -74.4 -52.7 18.4 55.3 59.0 66 67 A E H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 114.8 50.0 -57.3 -45.3 21.5 56.8 57.4 67 68 A W H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.931 115.3 41.6 -61.9 -49.0 19.5 59.3 55.4 68 69 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 4,-0.4 0.885 112.1 55.0 -65.4 -37.2 17.6 60.6 58.5 69 70 A R H ><5S+ 0 0 78 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.921 107.5 50.0 -66.0 -39.2 20.6 60.5 60.7 70 71 A G H 3<5S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.929 104.8 56.7 -65.1 -45.7 22.5 62.7 58.3 71 72 A Q T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.554 124.9-109.0 -56.2 -14.3 19.6 65.1 58.2 72 73 A G T < 5 + 0 0 26 -3,-1.6 -23,-0.3 -4,-0.4 2,-0.3 0.572 66.3 150.3 94.0 10.6 20.1 65.2 62.0 73 74 A V < - 0 0 3 -5,-2.5 2,-0.4 -25,-0.1 -1,-0.3 -0.594 53.8-115.3 -77.0 133.3 17.0 63.3 63.2 74 75 A D B +c 50 0A 47 -25,-2.4 -23,-1.3 -2,-0.3 -1,-0.1 -0.582 43.9 165.6 -66.7 120.5 17.3 61.4 66.4 75 76 A V > + 0 0 17 -2,-0.4 3,-3.0 -25,-0.2 -1,-0.2 0.413 43.7 103.9-118.1 -10.0 16.9 57.7 65.2 76 77 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -24,-0.0 -2,-0.1 0.647 80.3 57.8 -47.9 -19.3 18.2 55.9 68.4 77 78 A H T 3 S+ 0 0 55 -26,-0.2 -1,-0.3 2,-0.1 -24,-0.2 0.362 85.3 105.0-101.5 12.1 14.6 55.2 69.1 78 79 A M < - 0 0 20 -3,-3.0 2,-0.3 -26,-0.2 -24,-0.2 -0.403 60.5-136.0 -81.5 161.4 13.9 53.3 65.9 79 80 A K E -p 54 0C 101 -26,-2.9 -24,-2.1 -2,-0.1 2,-0.5 -0.864 3.7-145.6-121.4 154.2 13.5 49.5 65.6 80 81 A I E -p 55 0C 65 -2,-0.3 -24,-0.2 -26,-0.2 -23,-0.1 -0.883 12.1-164.5-122.0 98.1 14.8 46.9 63.1 81 82 A D E > -p 56 0C 17 -26,-1.8 -24,-0.8 -2,-0.5 3,-0.7 -0.732 2.5-164.5 -77.2 115.6 12.4 44.0 62.6 82 83 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.575 82.2 61.0 -78.3 -9.2 14.4 41.2 60.9 83 84 A S T 3 S+ 0 0 85 1,-0.1 -27,-0.1 2,-0.0 -2,-0.0 0.282 101.5 52.7 -98.9 7.6 11.2 39.3 59.8 84 85 A A S < S- 0 0 9 -3,-0.7 -27,-0.5 -29,-0.1 26,-0.1 -0.999 75.0-123.7-149.4 138.3 9.7 42.0 57.5 85 86 A P - 0 0 57 0, 0.0 26,-3.1 0, 0.0 27,-0.3 -0.419 38.7 -97.4 -78.2 157.4 10.8 44.1 54.6 86 87 A T - 0 0 1 24,-0.2 2,-0.3 25,-0.2 -31,-0.1 -0.447 44.6-108.1 -69.5 146.5 10.6 48.0 54.6 87 88 A G - 0 0 0 -78,-0.4 -76,-1.6 -2,-0.1 2,-0.3 -0.618 40.2-173.8 -83.8 138.7 7.6 49.4 52.9 88 89 A I E -jL 11 106B 0 18,-2.0 18,-2.8 -2,-0.3 2,-0.3 -0.851 9.3-164.3-128.0 156.4 8.1 51.1 49.6 89 90 A F E -jL 12 105B 10 -78,-2.2 -76,-2.6 -2,-0.3 2,-0.4 -0.960 11.6-139.9-136.5 162.3 5.9 53.1 47.1 90 91 A F E -jL 13 104B 0 14,-1.6 14,-1.8 -2,-0.3 2,-0.6 -0.986 15.1-141.2-122.5 131.5 6.2 54.3 43.5 91 92 A I E -jL 14 103B 0 -78,-1.6 -76,-1.9 -2,-0.4 2,-0.6 -0.816 7.6-164.2 -99.8 124.8 5.1 57.7 42.2 92 93 A Q E - L 0 102B 10 10,-2.6 10,-2.1 -2,-0.6 2,-0.4 -0.913 21.0-153.9 -96.4 115.4 3.4 58.1 38.8 93 94 A R E - L 0 101B 1 -2,-0.6 -74,-1.8 -76,-0.4 8,-0.2 -0.793 57.8 -10.2-105.8 131.7 3.6 61.8 37.9 94 95 A H S S+ 0 0 15 6,-3.4 -1,-0.2 -2,-0.4 7,-0.1 0.450 92.5 135.2 70.3 7.2 1.3 63.9 35.7 95 96 A Y S S- 0 0 6 -76,-0.3 -74,-0.1 1,-0.2 7,-0.1 -0.991 75.7 -2.0-137.9 132.6 -0.8 61.0 34.3 96 97 A P S S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 828,-0.1 -0.992 141.2 40.2 -88.0 5.2 -3.7 60.8 33.9 97 98 A V S > S- 0 0 6 3,-0.1 3,-1.4 826,-0.1 -3,-0.3 -0.944 82.6-126.3-114.5 121.9 -3.9 64.2 35.5 98 99 A P T 3 S+ 0 0 13 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.193 94.0 15.3 -55.8 154.0 -1.5 67.0 34.7 99 100 A L T 3 S+ 0 0 93 148,-0.2 151,-0.2 1,-0.2 2,-0.2 0.214 110.6 101.1 66.6 -14.0 0.2 68.7 37.7 100 101 A K < - 0 0 87 -3,-1.4 -6,-3.4 149,-0.1 2,-0.3 -0.539 55.8-152.4-104.9 167.3 -0.8 65.7 39.9 101 102 A S E -L 93 0B 24 -8,-0.2 2,-0.3 -2,-0.2 -8,-0.2 -0.967 2.8-155.6-143.9 146.8 0.9 62.6 41.3 102 103 A E E -L 92 0B 53 -10,-2.1 -10,-2.6 -2,-0.3 2,-0.4 -0.986 10.4-140.4-133.7 135.9 -0.3 59.1 42.3 103 104 A S E -L 91 0B 12 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.2 -0.786 6.3-161.7-104.5 140.2 1.3 56.6 44.7 104 105 A I E -L 90 0B 39 -14,-1.8 -14,-1.6 -2,-0.4 2,-0.2 -0.945 23.1-142.4-123.9 107.7 1.4 52.9 44.2 105 106 A Y E +L 89 0B 41 -2,-0.6 -16,-0.2 -16,-0.2 2,-0.1 -0.454 34.2 172.7 -83.5 139.6 2.1 50.9 47.4 106 107 A Y E +L 88 0B 22 -18,-2.8 -18,-2.0 -2,-0.2 -1,-0.1 -0.646 56.7 102.0-124.3 77.4 4.1 47.9 48.3 107 108 A R > + 0 0 14 -20,-0.2 3,-3.0 -2,-0.1 6,-0.3 0.498 30.5 127.9-133.0 -10.1 3.7 48.1 52.2 108 109 A K T 3 S+ 0 0 209 1,-0.3 33,-0.1 -3,-0.1 32,-0.0 -0.305 93.3 7.5 -54.2 130.7 1.0 45.6 53.4 109 110 A G T 3 S+ 0 0 49 31,-0.2 -1,-0.3 1,-0.2 2,-0.0 0.706 99.9 156.7 62.2 18.9 2.8 43.5 56.2 110 111 A S X> - 0 0 3 -3,-3.0 3,-0.8 -26,-0.1 4,-0.6 -0.288 60.2-109.7 -64.2 156.9 5.8 45.9 56.0 111 112 A A G >4 S+ 0 0 0 -26,-3.1 3,-1.3 1,-0.3 -25,-0.2 0.884 122.3 59.5 -57.2 -38.0 8.2 46.4 58.9 112 113 A G G >4 S+ 0 0 1 -27,-0.3 3,-1.2 1,-0.2 -1,-0.3 0.862 100.2 55.0 -55.0 -35.3 6.7 49.8 59.2 113 114 A S G <4 S+ 0 0 13 -3,-0.8 31,-0.6 -6,-0.3 30,-0.3 0.582 95.8 67.5 -79.9 -7.8 3.3 48.2 59.8 114 115 A K G << + 0 0 81 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.305 65.5 129.1 -97.3 10.5 4.7 46.2 62.7 115 116 A L < + 0 0 0 -3,-1.2 32,-0.3 -61,-0.2 26,-0.1 -0.532 38.8 174.3 -55.3 116.5 5.2 49.4 64.8 116 117 A S > - 0 0 11 -2,-0.3 3,-2.0 30,-0.1 4,-0.3 -0.837 47.0 -95.5-128.3 168.2 3.5 48.4 68.1 117 118 A P G > S+ 0 0 24 0, 0.0 3,-2.5 0, 0.0 -2,-0.0 0.816 117.7 67.7 -50.2 -37.1 3.0 49.9 71.6 118 119 A E G 3 S+ 0 0 154 1,-0.3 -3,-0.1 3,-0.0 29,-0.0 0.751 96.1 57.0 -61.0 -20.3 6.0 47.9 72.9 119 120 A D G < S+ 0 0 25 -3,-2.0 2,-0.9 1,-0.1 -1,-0.3 0.586 87.9 88.7 -84.5 -10.6 8.1 50.1 70.7 120 121 A V S < S- 0 0 1 -3,-2.5 2,-0.3 -4,-0.3 -1,-0.1 -0.798 71.8-148.8 -98.0 103.9 6.9 53.3 72.3 121 122 A D > - 0 0 74 -2,-0.9 4,-1.8 1,-0.1 5,-0.2 -0.523 3.3-150.0 -69.7 125.0 9.1 54.2 75.3 122 123 A E H > S+ 0 0 82 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.950 95.7 46.2 -64.7 -50.4 7.2 56.0 78.1 123 124 A E H > S+ 0 0 134 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.911 112.9 51.9 -57.7 -43.4 10.2 58.0 79.4 124 125 A Y H >4 S+ 0 0 18 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.895 109.9 44.5 -60.6 -50.1 11.2 59.1 75.8 125 126 A V H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.878 104.5 64.8 -61.2 -39.2 7.8 60.4 74.6 126 127 A K H 3< S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 96.1 60.7 -63.9 -16.5 7.3 62.3 77.8 127 128 A S T << S+ 0 0 60 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.697 85.4 93.0 -84.1 -19.5 10.4 64.4 76.9 128 129 A A < - 0 0 4 -3,-2.0 29,-0.3 -4,-0.4 -125,-0.2 -0.554 63.7-150.4 -79.0 140.5 8.9 65.8 73.6 129 130 A D S S+ 0 0 75 -127,-1.4 2,-0.4 -2,-0.2 -126,-0.2 0.804 91.0 29.8 -63.5 -33.5 7.1 69.1 73.5 130 131 A L E -b 3 0A 0 -128,-1.8 -126,-2.9 26,-0.1 2,-0.5 -0.992 63.5-163.9-140.2 125.6 5.0 67.7 70.6 131 132 A V E -bd 4 158A 0 26,-2.9 28,-2.1 -2,-0.4 2,-0.4 -0.950 23.9-173.5-110.6 124.5 4.0 64.2 69.8 132 133 A H E +bd 5 159A 0 -128,-2.8 -126,-2.2 -2,-0.5 2,-0.2 -0.935 16.2 144.0-129.6 139.6 2.8 63.9 66.2 133 134 A S E - 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0 0 2 -3,-0.7 2,-0.5 -4,-0.3 -2,-0.1 0.861 54.1-165.2 -74.8 -67.6 1.7 63.1 75.5 156 157 A S S S+ 0 0 84 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.1 -0.489 85.6 36.0 95.4 -57.2 1.0 66.6 76.9 157 158 A N S S- 0 0 55 -2,-0.5 -26,-2.9 -29,-0.3 2,-0.4 -0.973 74.1-172.8-130.4 135.3 0.9 68.1 73.4 158 159 A R E -d 131 0A 47 -2,-0.4 30,-2.8 28,-0.2 31,-2.1 -0.905 11.2-174.8-123.1 142.1 -0.4 66.5 70.3 159 160 A S E -de 132 189A 0 -28,-2.1 -26,-1.8 -2,-0.4 2,-0.4 -0.994 10.4-168.7-130.1 143.1 -0.5 67.2 66.6 160 161 A F E -de 133 190A 0 29,-1.4 31,-3.3 -2,-0.3 2,-0.6 -0.993 17.8-158.3-134.2 131.6 -2.3 65.2 63.9 161 162 A D E -de 134 191A 0 -28,-2.1 -26,-2.6 -2,-0.4 -25,-0.3 -0.961 12.7-155.3-102.2 118.2 -2.3 65.1 60.1 162 163 A T + 0 0 0 29,-2.1 -1,-0.1 -2,-0.6 30,-0.1 0.891 28.7 168.7 -61.2 -40.0 -5.6 63.5 59.1 163 164 A N - 0 0 16 28,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.711 18.9-162.3 33.7 52.9 -3.8 62.6 55.9 164 165 A I - 0 0 16 -29,-0.1 2,-0.5 -28,-0.0 -1,-0.2 -0.447 12.3-169.5 -69.4 129.6 -6.5 60.2 54.6 165 166 A R > - 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0 0 85 -2,-0.3 3,-1.7 -30,-0.2 4,-0.9 -0.909 9.7-165.0-122.8 106.7 29.0 90.7 40.8 1406 167 E L T 34 S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.720 88.3 61.5 -61.8 -27.1 28.8 91.2 44.6 1407 168 E K T 34 S+ 0 0 133 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.722 107.8 48.0 -70.1 -18.5 30.5 87.8 45.4 1408 169 E L T <4 S- 0 0 23 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.718 129.9 -15.0 -91.3 -28.2 33.6 89.2 43.5 1409 170 E W S < S- 0 0 24 -4,-0.9 -1,-0.3 4,-0.0 2,-0.1 -0.951 78.1 -83.4-168.5 162.5 33.7 92.7 45.2 1410 171 E S > - 0 0 45 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.356 38.6-113.4 -73.9 154.3 31.7 95.1 47.3 1411 172 E A H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 117.4 53.8 -52.6 -43.6 29.1 97.5 45.8 1412 173 E E H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 110.3 46.4 -61.5 -45.6 31.2 100.5 46.8 1413 174 E E H > S+ 0 0 86 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.953 111.3 51.1 -59.5 -53.3 34.2 99.1 45.0 1414 175 E A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.898 112.4 47.9 -49.6 -48.2 32.2 98.2 41.9 1415 176 E K H X S+ 0 0 99 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.890 114.7 45.0 -58.4 -48.8 30.8 101.8 41.9 1416 177 E R H X S+ 0 0 140 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.992 116.7 43.9 -61.4 -59.4 34.2 103.4 42.3 1417 178 E E H X S+ 0 0 13 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.846 115.1 46.5 -61.9 -39.3 36.0 101.2 39.7 1418 179 E I H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.886 114.9 48.4 -69.1 -36.2 33.2 101.4 37.0 1419 180 E L H X S+ 0 0 46 -4,-1.8 4,-1.9 -5,-0.3 3,-0.3 0.957 109.8 52.2 -63.0 -48.5 33.0 105.2 37.5 1420 181 E K H < S+ 0 0 104 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.3 46.3 -52.5 -46.8 36.8 105.5 37.3 1421 182 E L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 109.4 53.1 -69.1 -34.5 36.7 103.5 34.0 1422 183 E L H < S+ 0 0 4 -4,-1.9 2,-0.4 -3,-0.3 -1,-0.2 0.764 98.1 67.7 -74.9 -31.8 33.8 105.5 32.4 1423 184 E S S < S+ 0 0 59 -4,-1.9 33,-0.1 -3,-0.2 3,-0.0 -0.771 112.2 24.1 -80.2 142.2 35.4 108.9 33.0 1424 185 E K S S+ 0 0 136 -2,-0.4 32,-0.0 0, 0.0 0, 0.0 0.537 113.7 59.9 52.3 135.5 38.3 108.6 30.6 1425 186 E F S S- 0 0 23 -33,-0.1 2,-0.2 1,-0.0 -32,-0.1 0.927 77.3-144.2 72.1 85.9 37.4 106.0 27.9 1426 187 E H - 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0 0 41 -5,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.379 50.1-116.3 -66.1 133.9 41.7 39.9 64.6 1820 271 F E >> - 0 0 144 -2,-0.1 3,-1.9 1,-0.1 4,-1.6 -0.469 39.3-103.0 -65.2 141.0 45.0 38.2 64.0 1821 272 F M H 3> S+ 0 0 13 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.742 117.8 52.1 -32.6 -44.4 47.1 40.4 61.7 1822 273 F E H 3> S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.748 106.6 50.5 -78.7 -24.4 46.5 38.2 58.6 1823 274 F K H <> S+ 0 0 122 -3,-1.9 4,-3.5 2,-0.2 5,-0.2 0.879 109.8 54.3 -75.1 -39.4 42.7 38.0 58.8 1824 275 F A H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.920 110.1 43.8 -57.2 -52.6 42.7 41.8 59.1 1825 276 F L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.865 115.4 49.7 -64.6 -35.6 44.7 42.3 55.9 1826 277 F D H X S+ 0 0 63 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.951 114.4 43.7 -66.3 -52.3 42.6 39.7 54.1 1827 278 F Y H X S+ 0 0 22 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.904 114.8 50.7 -53.5 -45.7 39.4 41.3 55.2 1828 279 F A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.788 105.2 57.0 -70.8 -26.6 40.9 44.7 54.4 1829 280 F I H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.955 104.5 50.8 -65.0 -48.6 41.8 43.5 51.0 1830 281 F V H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.894 110.9 49.9 -59.2 -38.0 38.2 42.6 50.1 1831 282 F A H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.938 112.1 47.0 -62.6 -45.3 37.1 46.0 51.3 1832 283 F S H X S+ 0 0 15 -4,-2.2 4,-1.2 -26,-0.2 -1,-0.2 0.820 115.6 46.0 -66.1 -27.4 39.8 47.6 49.1 1833 284 F T H < S+ 0 0 14 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.838 107.6 54.4 -89.0 -33.1 38.8 45.4 46.2 1834 285 F L H >< S+ 0 0 0 -4,-3.1 3,-0.7 -5,-0.2 -2,-0.2 0.816 107.0 57.9 -59.0 -31.4 35.0 45.9 46.5 1835 286 F N H >< S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 -2,-0.2 0.949 90.2 64.5 -65.3 -61.6 35.9 49.6 46.3 1836 287 F V T 3< S+ 0 0 20 -4,-1.2 -37,-2.4 1,-0.3 -38,-1.8 0.610 93.2 71.0 -26.4 -27.0 37.7 49.8 42.9 1837 288 F M T < S+ 0 0 8 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.3 0.292 96.0 40.6-100.3 13.2 34.4 48.8 41.3 1838 289 F I S < S- 0 0 12 -3,-1.8 2,-0.5 -39,-0.4 -39,-0.2 -0.980 83.1-106.3-143.5 158.6 32.2 51.9 41.8 1839 290 F R S S+ 0 0 43 -2,-0.3 2,-0.1 -41,-0.1 4,-0.1 -0.764 90.5 65.3 -77.2 131.8 32.6 55.7 41.5 1840 291 F G S S- 0 0 0 -2,-0.5 -2,-0.2 -39,-0.2 4,-0.2 -0.147 71.0-135.7 115.7 137.1 32.6 56.8 45.1 1841 292 F D S S+ 0 0 5 -260,-0.4 -259,-0.1 -2,-0.1 -1,-0.1 0.661 100.1 28.2 -98.6 -24.7 35.1 56.1 47.9 1842 293 F Q S > S+ 0 0 1 -261,-0.3 3,-1.1 2,-0.1 -2,-0.1 0.628 97.0 79.3-120.5 -21.7 32.6 55.4 50.6 1843 294 F E T 3 S+ 0 0 21 1,-0.2 -1510,-0.1 -1510,-0.1 -2,-0.1 0.763 102.3 42.7 -65.6 -20.7 29.4 54.0 49.0 1844 295 F N T 3 S+ 0 0 1 -4,-0.2 -1,-0.2 -1515,-0.1 -2,-0.1 0.401 77.8 128.9-103.1 1.6 31.0 50.5 48.6 1845 296 F L < - 0 0 2 -3,-1.1 2,-0.2 1,-0.1 -14,-0.1 -0.448 55.4-136.6 -59.5 116.3 32.7 50.3 52.0 1846 297 F P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.538 1.1-129.5 -81.9 141.8 31.6 46.9 53.4 1847 298 F T > - 0 0 37 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.344 38.4-100.2 -68.6 166.6 30.5 46.0 56.8 1848 299 F T H > S+ 0 0 28 -254,-0.9 4,-2.5 2,-0.2 3,-0.5 0.935 125.2 49.6 -59.5 -51.5 32.2 43.0 58.5 1849 300 F K H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 110.1 53.9 -51.9 -40.4 29.3 40.6 57.7 1850 301 F D H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.829 107.3 48.9 -67.5 -32.9 29.5 41.9 54.1 1851 302 F I H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.5 -1,-0.2 0.863 111.2 52.8 -70.0 -37.2 33.2 41.1 53.9 1852 303 F E H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 106.2 50.7 -65.9 -38.5 32.2 37.7 55.3 1853 304 F T H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.955 107.9 53.0 -61.7 -51.8 29.6 37.1 52.6 1854 305 F F H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.871 113.3 46.4 -45.2 -43.3 32.2 38.0 49.9 1855 306 F L H < S+ 0 0 51 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.878 110.2 48.6 -75.7 -39.4 34.4 35.4 51.5 1856 307 F R H < S+ 0 0 151 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.874 112.3 51.5 -65.4 -36.7 31.9 32.5 51.9 1857 308 F E H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.526 92.8 67.4 -87.9 -10.1 30.8 32.9 48.3 1858 309 F M < 0 0 111 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.303 360.0 360.0 -93.6 49.5 34.2 32.8 46.8 1859 310 F K 0 0 126 -3,-0.3 -1,-0.1 -2,-0.0 -4,-0.0 -0.392 360.0 360.0 42.8 360.0 33.8 29.2 48.2