==== 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-JUN-09 3HTV . COMPND 2 MOLECULE: D-ALLOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 1 1 1 0 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A K 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 39.0 96.6 68.4 2 4 A Q - 0 0 104 58,-0.1 2,-0.3 1,-0.0 58,-0.2 -0.202 360.0-167.1 -62.5 152.8 37.6 96.4 64.8 3 5 A H E -a 60 0A 44 56,-1.2 58,-2.6 52,-0.1 2,-0.5 -0.987 16.8-152.1-144.7 135.5 38.6 93.5 62.5 4 6 A N E +a 61 0A 48 -2,-0.3 19,-2.0 56,-0.2 2,-0.3 -0.957 37.7 168.9-104.2 124.4 38.2 93.0 58.7 5 7 A V E -aB 62 22A 0 56,-3.5 58,-3.3 -2,-0.5 59,-0.3 -0.864 34.7-143.7-135.8 167.7 38.1 89.2 58.1 6 8 A V E - B 0 21A 0 15,-2.0 15,-2.1 -2,-0.3 2,-0.4 -0.928 25.6-130.5-124.7 151.6 37.4 86.4 55.7 7 9 A A E -aB 65 20A 0 57,-3.1 59,-1.8 -2,-0.3 2,-0.4 -0.874 15.6-168.8-108.1 136.0 35.8 83.1 56.7 8 10 A G E +aB 66 19A 0 11,-2.6 11,-3.2 -2,-0.4 2,-0.4 -0.999 10.5 180.0-121.7 121.7 37.1 79.6 55.8 9 11 A V E -aB 67 18A 0 57,-2.2 59,-3.2 -2,-0.4 2,-0.6 -0.994 13.2-164.6-124.6 125.9 34.8 76.6 56.4 10 12 A D E -aB 68 17A 34 7,-2.8 7,-2.4 -2,-0.4 2,-0.6 -0.963 16.8-148.2-110.5 120.9 35.7 73.0 55.7 11 13 A X E + B 0 16A 3 57,-2.1 5,-0.2 -2,-0.6 2,-0.2 -0.756 21.6 174.0 -95.7 114.4 32.5 70.8 55.8 12 14 A G - 0 0 19 3,-1.8 74,-0.0 -2,-0.6 23,-0.0 -0.634 43.9-110.9-114.0 170.6 32.9 67.1 56.9 13 15 A A S S+ 0 0 55 -2,-0.2 23,-0.2 1,-0.1 3,-0.1 0.863 117.2 17.4 -67.9 -36.6 30.5 64.2 57.6 14 16 A T S S+ 0 0 78 1,-0.2 21,-1.7 21,-0.1 22,-0.3 0.753 131.2 26.1-106.7 -38.8 31.2 64.3 61.4 15 17 A H E - C 0 34A 49 19,-0.3 -3,-1.8 20,-0.1 2,-0.4 -0.888 56.5-149.6-128.6 160.4 32.8 67.8 62.0 16 18 A I E -BC 11 33A 0 17,-2.4 17,-2.5 -2,-0.3 2,-0.4 -0.987 17.2-153.4-122.9 127.5 32.8 71.2 60.4 17 19 A R E -BC 10 32A 63 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.4 -0.909 11.5-170.3-104.3 143.0 36.0 73.3 60.8 18 20 A F E -BC 9 31A 0 13,-2.4 13,-2.3 -2,-0.4 2,-0.3 -0.993 4.5-176.6-140.4 126.2 35.8 77.1 60.7 19 21 A C E -BC 8 30A 0 -11,-3.2 -11,-2.6 -2,-0.4 2,-0.5 -0.951 13.7-155.0-124.4 140.0 38.6 79.7 60.6 20 22 A L E -BC 7 29A 0 9,-2.7 8,-2.7 -2,-0.3 9,-1.6 -0.976 15.4-172.1-114.1 127.4 38.6 83.5 60.7 21 23 A R E -BC 6 27A 51 -15,-2.1 -15,-2.0 -2,-0.5 6,-0.2 -0.978 17.6-130.5-121.5 130.2 41.6 85.2 59.0 22 24 A T E > -B 5 0A 5 4,-3.0 3,-2.1 -2,-0.4 -17,-0.2 -0.309 26.0-109.3 -75.9 162.6 42.2 89.0 59.2 23 25 A A T 3 S+ 0 0 30 -19,-2.0 -18,-0.1 1,-0.3 -1,-0.1 0.843 122.1 62.4 -57.2 -30.2 43.0 91.3 56.3 24 26 A E T 3 S- 0 0 145 -20,-0.3 -1,-0.3 1,-0.1 -19,-0.1 0.433 123.8-106.8 -74.9 0.2 46.5 91.4 57.8 25 27 A G S < S+ 0 0 26 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.630 74.9 138.4 80.0 19.3 46.9 87.6 57.2 26 28 A E - 0 0 134 1,-0.0 -4,-3.0 2,-0.0 2,-0.7 -0.691 58.7-122.8 -97.5 144.2 46.5 86.7 60.9 27 29 A T E +C 21 0A 55 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.807 32.2 177.2 -85.5 114.9 44.4 83.7 62.1 28 30 A L E - 0 0 38 -8,-2.7 2,-0.3 -2,-0.7 -7,-0.2 0.797 61.2 -2.3 -87.0 -35.4 41.9 85.3 64.5 29 31 A H E -C 20 0A 24 -9,-1.6 -9,-2.7 2,-0.0 2,-0.3 -0.989 51.0-174.8-161.0 146.7 39.9 82.2 65.3 30 32 A C E +C 19 0A 41 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.979 14.9 169.1-141.0 137.1 39.5 78.5 64.7 31 33 A E E -C 18 0A 20 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.5 -0.993 22.7-147.4-148.5 152.9 36.8 76.1 65.9 32 34 A K E +C 17 0A 85 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.983 21.9 177.4-119.2 126.7 35.6 72.6 65.3 33 35 A K E -C 16 0A 85 -17,-2.5 -17,-2.4 -2,-0.5 2,-0.4 -0.861 37.0-101.0-123.0 161.0 31.9 71.7 65.7 34 36 A R E >> -C 15 0A 131 -2,-0.3 4,-1.9 -19,-0.2 3,-0.7 -0.708 28.5-135.1 -80.9 131.6 29.9 68.5 65.1 35 37 A T H 3> S+ 0 0 0 -21,-1.7 4,-2.2 -2,-0.4 5,-0.2 0.896 103.7 57.4 -55.4 -46.1 28.1 68.7 61.8 36 38 A A H 3> S+ 0 0 62 -22,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.821 108.6 46.6 -50.6 -40.5 24.8 67.3 63.3 37 39 A E H X4 S+ 0 0 129 -3,-0.7 3,-0.5 2,-0.2 -1,-0.2 0.894 109.9 52.2 -72.0 -46.2 24.8 70.2 65.8 38 40 A V H 3< S+ 0 0 8 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.7 41.9 -60.3 -40.0 25.5 73.0 63.3 39 41 A I H >< S+ 0 0 25 -4,-2.2 3,-2.5 1,-0.2 -1,-0.2 0.539 84.9 96.9 -89.9 -5.9 22.7 71.9 61.0 40 42 A A T << S+ 0 0 83 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.831 90.5 43.1 -50.3 -42.2 20.0 71.2 63.7 41 43 A P T 3 S- 0 0 85 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.392 139.5 -73.7 -83.0 8.4 18.5 74.7 63.2 42 44 A G <> - 0 0 34 -3,-2.5 4,-2.5 3,-0.1 5,-0.2 -0.025 50.6 -94.4 102.6 142.6 18.7 74.2 59.3 43 45 A L H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.891 122.4 45.1 -58.3 -50.5 22.1 74.4 57.5 44 46 A V H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 116.9 45.3 -60.7 -48.5 22.0 78.2 56.5 45 47 A S H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.870 114.3 51.3 -61.2 -40.7 20.8 79.3 60.0 46 48 A G H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 115.2 38.5 -63.1 -50.5 23.4 77.0 61.6 47 49 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.878 115.5 54.5 -67.9 -42.8 26.4 78.3 59.5 48 50 A G H X S+ 0 0 6 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.931 113.8 40.5 -58.3 -47.0 25.1 81.8 59.7 49 51 A E H X S+ 0 0 84 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.828 111.6 56.0 -73.2 -35.8 24.9 81.8 63.5 50 52 A X H X S+ 0 0 11 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.933 117.5 36.6 -57.6 -48.4 28.3 79.8 63.9 51 53 A I H >X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 3,-0.5 0.951 116.5 52.1 -70.9 -47.7 30.0 82.6 61.9 52 54 A D H 3X S+ 0 0 68 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.817 102.3 58.3 -64.7 -36.1 28.0 85.5 63.3 53 55 A E H 3X S+ 0 0 100 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.894 111.3 43.7 -55.8 -41.8 28.6 84.6 67.0 54 56 A Q H S+ 0 0 15 -4,-2.1 5,-3.0 2,-0.2 4,-0.7 0.916 113.6 44.6 -59.6 -44.3 32.0 88.1 64.2 56 58 A R H ><5S+ 0 0 136 -4,-2.7 3,-0.6 3,-0.2 -2,-0.2 0.933 113.9 50.6 -65.2 -46.6 30.1 89.7 67.2 57 59 A R H 3<5S+ 0 0 161 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.923 120.8 32.8 -55.1 -51.7 32.6 88.3 69.7 58 60 A F H 3<5S- 0 0 48 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.404 107.4-120.1 -89.5 4.0 35.7 89.7 67.8 59 61 A N T <<5 + 0 0 79 -4,-0.7 -56,-1.2 -3,-0.6 2,-0.3 0.964 59.2 167.5 50.9 55.7 33.8 92.9 66.5 60 62 A A E < -a 3 0A 14 -5,-3.0 2,-0.5 -58,-0.2 -56,-0.2 -0.767 39.2-148.7-109.6 145.5 34.6 91.6 63.0 61 63 A R E -a 4 0A 138 -58,-2.6 -56,-3.5 -2,-0.3 2,-0.6 -0.972 21.6-141.2-109.0 126.2 33.4 92.5 59.5 62 64 A C E -a 5 0A 23 -2,-0.5 -56,-0.2 -58,-0.2 3,-0.1 -0.810 19.6-177.6 -98.6 119.5 33.3 89.6 57.1 63 65 A H E - 0 0 46 -58,-3.3 2,-0.2 -2,-0.6 -57,-0.2 0.385 66.5 -24.1 -92.8 -0.6 34.4 90.3 53.4 64 66 A G E - 0 0 0 -59,-0.3 -57,-3.1 42,-0.2 2,-0.4 -0.822 48.9-128.4 160.7 158.7 33.7 86.7 52.2 65 67 A L E -ad 7 108A 0 42,-2.2 44,-2.2 -2,-0.2 2,-0.5 -0.992 7.9-168.4-129.2 129.3 33.4 82.9 52.8 66 68 A V E -ad 8 109A 0 -59,-1.8 -57,-2.2 -2,-0.4 2,-0.5 -1.000 18.5-165.9-112.3 121.1 35.1 80.0 50.9 67 69 A X E -ad 9 110A 0 42,-2.5 44,-2.1 -2,-0.5 2,-0.3 -0.956 7.5-145.2-114.2 124.4 33.3 76.8 52.0 68 70 A G E -ad 10 111A 0 -59,-3.2 -57,-2.1 -2,-0.5 44,-0.2 -0.638 17.4-178.4 -88.0 139.2 34.8 73.3 51.3 69 71 A F E - d 0 112A 0 42,-2.1 44,-2.4 -2,-0.3 2,-2.0 -0.985 37.9-122.6-134.2 147.0 32.8 70.2 50.4 70 72 A P S S+ 0 0 46 0, 0.0 15,-0.6 0, 0.0 2,-0.3 -0.544 90.0 79.2 -84.4 72.8 33.7 66.5 49.7 71 73 A A S S- 0 0 7 -2,-2.0 -2,-0.2 13,-0.2 2,-0.2 -0.971 91.3 -79.8-169.4 162.7 31.9 66.9 46.3 72 74 A L - 0 0 38 -2,-0.3 9,-1.8 40,-0.1 10,-0.8 -0.555 42.8-156.3 -77.6 143.9 32.3 68.3 42.8 73 75 A V B -E 80 0B 10 84,-0.4 7,-0.2 7,-0.3 39,-0.1 -0.956 19.0-106.4-126.2 140.8 31.8 72.1 42.4 74 76 A S > - 0 0 18 5,-3.2 3,-1.8 -2,-0.4 83,-0.2 -0.067 33.7-104.3 -62.1 162.2 30.8 74.0 39.3 75 77 A K T 3 S+ 0 0 99 81,-0.5 82,-0.1 1,-0.3 -1,-0.1 0.889 123.1 51.2 -54.5 -44.5 33.2 76.2 37.3 76 78 A D T 3 S- 0 0 95 80,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.306 109.1-126.0 -78.0 4.2 31.7 79.4 38.8 77 79 A K S < S+ 0 0 60 -3,-1.8 33,-2.8 2,-0.2 -2,-0.1 0.629 86.4 97.6 61.7 21.0 32.2 78.0 42.4 78 80 A R S S+ 0 0 63 31,-0.2 19,-0.6 1,-0.1 2,-0.4 0.602 70.9 58.3-111.8 -13.0 28.5 78.5 43.3 79 81 A T - 0 0 76 31,-0.1 -5,-3.2 17,-0.1 2,-0.6 -0.975 67.5-139.7-128.8 133.9 26.9 75.1 42.7 80 82 A I B -E 73 0B 24 -2,-0.4 -7,-0.3 13,-0.3 16,-0.1 -0.824 22.2-174.7 -87.8 117.1 27.7 71.7 44.2 81 83 A I + 0 0 84 -9,-1.8 2,-0.3 -2,-0.6 -8,-0.2 0.225 60.9 50.3-107.4 8.3 27.3 69.3 41.2 82 84 A S S S- 0 0 40 -10,-0.8 0, 0.0 0, 0.0 0, 0.0 -0.937 94.2 -99.5-133.1 159.5 27.8 65.8 42.8 83 85 A T - 0 0 137 -2,-0.3 2,-0.2 -12,-0.1 -2,-0.1 -0.719 41.3-141.0 -78.8 118.5 26.0 64.5 45.9 84 86 A P - 0 0 10 0, 0.0 2,-1.7 0, 0.0 4,-0.2 -0.560 16.4-117.9 -79.9 151.4 28.3 64.9 48.9 85 87 A N S S+ 0 0 144 -15,-0.6 -72,-0.1 -2,-0.2 -14,-0.0 -0.658 76.7 116.0 -87.1 76.2 28.6 62.2 51.6 86 88 A L S S- 0 0 15 -2,-1.7 2,-1.5 2,-0.2 -73,-0.1 -0.927 83.0-102.7-135.7 158.2 27.3 64.5 54.3 87 89 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.263 81.7 119.8 -83.4 53.4 24.0 64.3 56.4 88 90 A L - 0 0 26 -2,-1.5 -2,-0.2 -4,-0.2 2,-0.1 -0.830 59.7-124.6-116.7 151.1 22.3 67.0 54.2 89 91 A T > - 0 0 78 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.357 26.7-111.3 -86.4 170.4 19.2 66.8 52.1 90 92 A A H > S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.893 121.3 55.9 -66.1 -41.9 18.9 67.7 48.4 91 93 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.816 102.1 56.9 -56.3 -39.0 16.8 70.7 49.4 92 94 A D H 4 S+ 0 0 50 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.841 108.6 44.7 -62.6 -42.7 19.7 72.0 51.8 93 95 A L H >< S+ 0 0 35 -4,-1.1 3,-1.6 -3,-0.3 -13,-0.3 0.696 90.2 107.8 -74.0 -22.0 22.2 72.1 49.0 94 96 A Y T 3< S- 0 0 177 -4,-1.1 5,-0.1 1,-0.3 -15,-0.0 -0.453 102.1 -14.1 -68.3 122.9 19.7 73.8 46.6 95 97 A D T 3> S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.1 -1,-0.3 0.743 89.8 149.7 55.2 31.7 20.6 77.5 46.0 96 98 A L H <> + 0 0 2 -3,-1.6 4,-2.9 2,-0.2 5,-0.2 0.866 63.3 56.2 -60.4 -41.7 23.0 77.3 49.0 97 99 A A H > S+ 0 0 3 -19,-0.6 4,-2.3 -4,-0.3 -1,-0.2 0.938 111.9 42.3 -60.8 -47.3 25.5 79.9 47.7 98 100 A D H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 114.7 50.3 -65.1 -40.8 22.7 82.6 47.4 99 101 A K H X S+ 0 0 92 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 112.5 46.9 -65.1 -44.6 21.1 81.7 50.7 100 102 A L H X S+ 0 0 1 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.904 111.3 52.5 -62.6 -41.4 24.4 81.9 52.5 101 103 A E H X>S+ 0 0 51 -4,-2.3 4,-1.5 -5,-0.2 5,-0.7 0.885 110.4 47.1 -61.1 -40.4 25.2 85.3 50.8 102 104 A N H <5S+ 0 0 123 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.892 117.8 41.8 -69.3 -40.4 21.9 86.8 51.9 103 105 A T H <5S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 123.1 37.0 -72.4 -46.3 22.3 85.5 55.5 104 106 A L H <5S- 0 0 20 -4,-3.2 -2,-0.2 2,-0.2 -42,-0.2 0.551 95.7-135.5 -84.8 -13.4 26.1 86.4 55.9 105 107 A N T <5S+ 0 0 136 -4,-1.5 -3,-0.1 -5,-0.2 -4,-0.1 0.862 72.6 84.2 57.6 42.4 26.1 89.7 53.8 106 108 A C S > -d 69 0A 23 -2,-0.3 3,-1.8 -44,-0.2 4,-0.8 -0.481 41.3-117.5 -67.5 137.9 36.1 70.9 46.5 113 115 A D H >> S+ 0 0 55 -44,-2.4 4,-1.4 1,-0.3 3,-0.9 0.809 110.8 61.2 -49.1 -41.7 37.8 69.8 49.7 114 116 A V H 3> S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.746 97.6 59.5 -62.1 -25.9 41.1 68.8 48.1 115 117 A N H <> S+ 0 0 6 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.827 103.0 53.0 -69.1 -30.0 41.6 72.4 46.8 116 118 A L H S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 6,-0.4 0.956 116.0 42.5 -65.4 -52.0 51.1 75.3 48.5 123 125 A V H ><5S+ 0 0 58 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.921 115.5 49.5 -59.9 -46.7 51.2 78.4 50.8 124 126 A E H 3<5S+ 0 0 108 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.801 112.8 47.4 -63.5 -32.3 53.1 76.5 53.6 125 127 A N T 3<5S- 0 0 61 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.306 112.2-116.7 -92.7 10.0 55.7 75.1 51.1 126 128 A R T < 5S+ 0 0 83 -3,-1.3 3,-0.2 -4,-0.2 -3,-0.2 0.868 76.9 128.5 59.1 40.2 56.3 78.6 49.5 127 129 A L > < + 0 0 6 -5,-2.7 3,-2.3 -6,-0.2 -4,-0.2 0.276 19.6 116.4-109.5 12.5 55.0 77.2 46.1 128 130 A T T 3 S+ 0 0 42 -6,-0.4 21,-0.4 1,-0.3 -1,-0.1 0.705 80.6 47.1 -57.9 -26.5 52.3 79.9 45.2 129 131 A Q T 3 S+ 0 0 160 -3,-0.2 -1,-0.3 19,-0.1 2,-0.2 0.326 103.9 80.9 -95.6 6.0 54.2 81.0 42.0 130 132 A Q S < S- 0 0 56 -3,-2.3 2,-0.6 17,-0.1 19,-0.4 -0.480 86.4-106.1-105.6 172.0 54.8 77.4 40.7 131 133 A L - 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0 0 90 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.971 28.9-170.5 51.9 56.9 55.0 68.6 33.9 217 239 A P - 0 0 6 0, 0.0 -85,-0.2 0, 0.0 3,-0.1 -0.260 35.6-127.4 -74.5 164.4 54.7 70.4 37.3 218 240 A D S S+ 0 0 73 -87,-2.5 37,-1.8 1,-0.2 2,-0.3 0.842 92.8 7.8 -72.4 -36.4 57.4 72.1 39.3 219 241 A A E -gi 132 255C 0 -88,-1.5 -86,-2.3 35,-0.2 2,-0.4 -0.976 59.7-145.9-150.5 156.8 56.3 70.0 42.3 220 242 A V E -gi 133 256C 1 35,-2.9 37,-2.8 -2,-0.3 2,-0.6 -0.994 11.0-155.2-128.7 124.7 54.0 67.2 43.5 221 243 A I E -gi 134 257C 0 -88,-2.6 -86,-2.7 -2,-0.4 2,-0.5 -0.880 13.1-162.5 -99.9 121.2 52.3 67.1 47.0 222 244 A L E +gi 135 258C 1 35,-3.2 37,-3.0 -2,-0.6 2,-0.2 -0.909 34.2 106.4-107.1 131.5 51.5 63.5 48.1 223 245 A G E +g 136 0C 0 -88,-2.2 -86,-3.2 -2,-0.5 3,-0.1 -0.840 15.8 142.0-166.6-150.2 49.0 63.0 50.9 224 246 A G >> - 0 0 16 -88,-0.3 4,-0.9 -2,-0.2 3,-0.6 -0.243 68.8 -72.2 107.8 160.4 45.4 61.9 51.9 225 247 A G T 34 S+ 0 0 43 1,-0.2 4,-0.4 2,-0.2 -87,-0.2 0.750 128.5 59.6 -56.7 -30.5 44.0 59.9 54.8 226 248 A V T >4 S+ 0 0 2 -89,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.877 103.0 52.1 -66.8 -39.2 45.5 56.6 53.5 227 249 A X T <4 S+ 0 0 12 -90,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.712 102.6 59.9 -70.5 -20.4 49.0 58.1 53.7 228 250 A D T 3< S+ 0 0 79 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.622 82.1 109.4 -79.2 -12.9 48.3 59.1 57.4 229 251 A X S X S- 0 0 45 -3,-1.0 3,-1.9 -4,-0.4 -43,-0.1 -0.351 87.2 -85.0 -65.5 142.4 47.7 55.4 58.3 230 252 A P T 3 S+ 0 0 38 0, 0.0 -42,-0.3 0, 0.0 -41,-0.3 -0.194 110.3 4.6 -51.4 133.1 50.5 53.8 60.5 231 253 A A T 3 S+ 0 0 57 1,-0.2 -2,-0.1 -43,-0.1 -3,-0.1 0.554 80.6 169.1 68.0 13.2 53.5 52.5 58.5 232 254 A F < - 0 0 21 -3,-1.9 2,-1.9 -5,-0.2 -1,-0.2 -0.407 39.9-125.4 -56.5 126.3 52.2 53.8 55.1 233 255 A P > + 0 0 12 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.468 45.1 161.3 -82.8 73.9 55.2 53.3 52.8 234 256 A R H > S+ 0 0 66 -2,-1.9 4,-2.6 1,-0.2 5,-0.2 0.877 75.2 52.0 -56.5 -43.9 55.6 56.9 51.4 235 257 A E H > S+ 0 0 175 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 108.9 49.9 -63.9 -40.1 59.2 56.2 50.3 236 258 A T H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 111.8 48.7 -64.2 -43.9 58.2 53.1 48.4 237 259 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.915 112.2 47.9 -62.9 -45.7 55.3 55.0 46.6 238 260 A V H X S+ 0 0 28 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.941 114.0 47.4 -59.9 -46.4 57.7 57.9 45.6 239 261 A A H X S+ 0 0 55 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.898 111.8 50.3 -62.4 -42.6 60.3 55.4 44.3 240 262 A X H >X S+ 0 0 14 -4,-2.7 3,-0.5 1,-0.2 4,-0.5 0.924 111.0 49.4 -59.8 -44.6 57.6 53.5 42.4 241 263 A T H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.2 0.896 105.0 58.0 -61.4 -43.0 56.4 56.8 40.8 242 264 A Q H >< S+ 0 0 69 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.754 93.4 67.5 -61.2 -27.1 59.9 57.8 39.8 243 265 A K H << S+ 0 0 127 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.794 104.7 44.1 -58.6 -33.6 60.3 54.6 37.7 244 266 A Y T << S+ 0 0 78 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.2 0.345 86.3 110.5 -97.4 3.1 57.6 55.9 35.3 245 267 A L S < S- 0 0 11 -3,-1.1 -35,-0.1 -4,-0.2 -36,-0.0 -0.694 76.2-111.2 -85.7 130.4 58.8 59.6 35.0 246 268 A R > - 0 0 52 -2,-0.4 5,-2.6 5,-0.1 6,-0.2 -0.345 48.2-106.9 -57.7 130.2 60.3 60.5 31.6 247 269 A R T 5S+ 0 0 73 3,-0.2 2,-0.2 4,-0.2 -1,-0.0 -0.872 90.7 14.0-110.9 146.8 64.1 61.2 31.9 248 270 A P T >5S+ 0 0 78 0, 0.0 4,-3.3 0, 0.0 5,-0.2 -0.874 126.5 48.4 -66.8 -40.8 66.0 63.6 31.9 249 271 A L T 45S+ 0 0 115 1,-0.2 -33,-0.0 2,-0.2 0, 0.0 -0.904 118.5 10.5-112.0 139.4 62.9 65.8 32.3 250 272 A P T >>5S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.978 126.2 60.5 -81.6 3.2 60.5 65.7 34.3 251 273 A H T 34 - 0 0 76 -2,-0.5 3,-1.2 1,-0.1 4,-0.4 -0.987 61.8-107.1-148.7 154.4 46.6 68.8 60.8 263 285 A D T 3 S+ 0 0 62 -2,-0.3 3,-0.4 1,-0.3 4,-0.3 0.852 113.3 31.7 -49.8 -52.6 43.1 69.5 62.1 264 286 A F T 3> S+ 0 0 54 1,-0.2 4,-2.9 2,-0.1 -1,-0.3 0.333 85.8 102.8 -94.9 5.0 42.5 73.1 60.7 265 287 A N H <> S+ 0 0 6 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.884 85.0 47.6 -53.0 -45.7 44.6 72.9 57.5 266 288 A G H > S+ 0 0 7 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.923 114.4 44.0 -62.3 -50.5 41.4 72.6 55.4 267 289 A A H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -248,-0.3 0.889 115.8 49.7 -61.4 -41.3 39.5 75.4 57.1 268 290 A Q H X S+ 0 0 25 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.844 107.1 54.7 -64.3 -38.4 42.7 77.6 56.9 269 291 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.917 108.3 48.9 -59.8 -46.2 43.1 76.7 53.2 270 292 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.912 110.4 50.9 -59.1 -44.0 39.6 78.0 52.7 271 293 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 109.0 51.2 -61.2 -43.2 40.5 81.2 54.6 272 294 A I H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.905 112.0 46.7 -59.6 -45.5 43.6 81.7 52.4 273 295 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.892 112.6 50.1 -64.6 -40.6 41.5 81.3 49.3 274 296 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.897 109.6 51.2 -64.3 -40.9 38.8 83.8 50.7 275 297 A H H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 112.1 47.0 -59.3 -49.2 41.6 86.3 51.5 276 298 A Q H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 120.5 38.1 -60.4 -40.7 42.9 86.0 47.9 277 299 A R H < S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.837 129.4 27.1 -82.4 -35.1 39.5 86.4 46.4 278 300 A F H < S+ 0 0 39 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.440 111.5 62.1-113.4 -4.9 37.9 88.9 48.7 279 301 A L < 0 0 26 -4,-2.2 -256,-0.0 -5,-0.3 -274,-0.0 -0.633 360.0 360.0-131.1-175.5 40.9 91.0 50.1 280 302 A P 0 0 157 0, 0.0 -256,-0.1 0, 0.0 -1,-0.0 0.665 360.0 360.0 -80.8 360.0 43.5 92.9 50.4