==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 14-JUL-03 1PZX . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN APC36103; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR R.ZHANG,J.OSIPIUK,M.ZHOU,R.ALKIRE,S.MOY,F.COLLART, . 566 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 12.2 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 . 6 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 . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 0 3 3 1 1 0 0 1 2 2 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 3 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 PARALLEL BRIDGES PER LADDER . 0 0 4 4 0 2 1 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 2 2 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 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 1 A M 0 0 136 0, 0.0 3,-0.1 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 150.7 57.8 47.4 31.4 2 2 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 136,-0.1 -0.280 360.0 -92.4 -67.9 156.4 58.5 43.8 32.7 3 3 A I - 0 0 24 134,-0.3 2,-0.5 77,-0.1 79,-0.2 -0.516 39.0-141.3 -71.4 134.2 57.4 40.9 30.6 4 4 A E E -a 82 0A 7 77,-3.0 79,-2.4 -2,-0.2 2,-0.5 -0.872 9.7-144.5 -99.9 129.6 53.9 39.7 31.6 5 5 A I E -a 83 0A 8 -2,-0.5 19,-1.5 17,-0.3 2,-0.3 -0.813 18.4-174.2 -97.3 132.4 53.4 35.9 31.6 6 6 A I E +ab 84 24A 0 77,-3.3 79,-2.6 -2,-0.5 2,-0.3 -0.933 10.0 157.9-125.2 147.0 50.0 34.6 30.4 7 7 A T E -ab 85 25A 0 17,-2.1 19,-2.3 -2,-0.3 2,-0.2 -0.922 27.9-121.3-154.7 176.9 48.6 31.1 30.5 8 8 A D E > - b 0 26A 0 77,-0.6 3,-1.8 -2,-0.3 4,-0.1 -0.689 39.8 -91.2-121.3 176.4 45.3 29.1 30.4 9 9 A S G > S+ 0 0 5 17,-1.8 3,-0.7 1,-0.3 249,-0.3 0.434 111.4 81.2 -69.9 3.0 43.6 26.6 32.7 10 10 A G G 3 S+ 0 0 0 1,-0.2 113,-1.9 2,-0.1 -1,-0.3 0.662 79.4 70.8 -79.5 -13.4 45.2 23.8 30.8 11 11 A A G < S- 0 0 0 -3,-1.8 116,-0.5 115,-0.2 -1,-0.2 0.614 91.0-145.3 -76.2 -15.3 48.3 24.4 32.9 12 12 A D < + 0 0 9 -3,-0.7 112,-0.1 1,-0.2 -3,-0.1 0.782 41.7 153.5 51.9 33.8 46.7 23.0 36.1 13 13 A L - 0 0 12 110,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.721 52.1-104.1 -89.3 141.9 48.5 25.6 38.3 14 14 A P >> - 0 0 43 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.399 23.0-122.5 -65.7 141.2 46.7 26.4 41.5 15 15 A Q H 3> S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.763 112.7 66.2 -53.9 -25.5 45.0 29.8 41.5 16 16 A S H 3> S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.915 106.4 41.0 -62.7 -40.3 47.1 30.6 44.6 17 17 A Y H <> S+ 0 0 31 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.940 112.6 53.3 -71.7 -49.7 50.1 30.5 42.3 18 18 A I H <>S+ 0 0 5 -4,-2.0 5,-2.6 1,-0.2 -2,-0.2 0.952 115.7 40.2 -49.9 -55.3 48.5 32.3 39.4 19 19 A R H ><5S+ 0 0 180 -4,-2.6 3,-1.4 3,-0.2 -1,-0.2 0.902 112.3 55.1 -63.5 -43.9 47.5 35.2 41.6 20 20 A E H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.926 116.2 36.5 -56.7 -47.4 50.7 35.3 43.6 21 21 A H T 3<5S- 0 0 65 -4,-2.6 -1,-0.3 -5,-0.1 -16,-0.2 0.213 111.2-119.8 -92.8 15.9 52.8 35.6 40.5 22 22 A R T < 5 + 0 0 187 -3,-1.4 2,-0.6 1,-0.2 -17,-0.3 0.915 46.3 175.5 45.5 58.4 50.3 37.8 38.7 23 23 A I < - 0 0 8 -5,-2.6 -17,-0.2 -6,-0.2 -1,-0.2 -0.844 34.9-121.6 -96.2 117.6 49.8 35.5 35.8 24 24 A A E -b 6 0A 8 -19,-1.5 -17,-2.1 -2,-0.6 2,-0.5 -0.376 35.3-146.5 -55.6 132.7 47.1 36.6 33.3 25 25 A F E -b 7 0A 35 -19,-0.2 -17,-0.2 -16,-0.0 -1,-0.1 -0.923 20.3-169.0-117.0 123.0 44.6 33.7 33.4 26 26 A L E -b 8 0A 4 -19,-2.3 -17,-1.8 -2,-0.5 2,-0.2 -0.890 21.4-147.2-106.6 103.8 42.5 32.4 30.4 27 27 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 13,-0.1 -0.505 6.9-135.2 -74.2 135.5 40.0 29.9 31.7 28 28 A L - 0 0 9 -2,-0.2 11,-2.9 11,-0.1 2,-0.4 -0.548 32.4-107.2 -80.9 155.8 39.0 27.0 29.4 29 29 A V E -DE 38 61B 19 32,-2.2 32,-2.2 9,-0.2 2,-0.4 -0.701 30.3-170.6 -93.2 136.7 35.2 26.4 29.4 30 30 A V E +DE 37 60B 0 7,-2.5 7,-3.3 -2,-0.4 2,-0.3 -0.976 20.2 160.8-119.7 135.3 33.4 23.5 31.1 31 31 A H E +DE 36 59B 23 28,-2.8 28,-2.8 -2,-0.4 2,-0.2 -0.997 14.7 153.8-156.3 159.8 29.7 22.9 30.4 32 32 A W E > +D 35 0B 31 3,-1.8 3,-1.5 -2,-0.3 26,-0.1 -0.839 66.2 20.9 178.7 145.5 26.8 20.5 30.4 33 33 A N T 3 S- 0 0 60 1,-0.3 249,-0.3 -2,-0.2 3,-0.1 0.864 131.9 -51.4 56.0 41.1 23.0 20.5 30.7 34 34 A G T 3 S+ 0 0 14 1,-0.2 2,-0.5 247,-0.1 248,-0.3 0.462 113.7 112.1 81.0 0.8 22.8 24.1 29.6 35 35 A Q E < -D 32 0B 43 -3,-1.5 -3,-1.8 246,-0.2 2,-0.4 -0.933 48.1-159.4-116.8 130.6 25.3 25.5 32.0 36 36 A D E -D 31 0B 67 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.810 12.9-178.1-101.7 142.3 28.7 26.9 31.2 37 37 A Y E -D 30 0B 65 -7,-3.3 -7,-2.5 -2,-0.4 2,-0.6 -0.899 26.7-119.2-135.0 163.4 31.5 27.2 33.8 38 38 A K E >>> -D 29 0B 105 -2,-0.3 3,-2.7 -9,-0.2 4,-2.1 -0.929 35.4-113.9-111.8 115.4 35.1 28.6 33.7 39 39 A D B 345S+f 43 0C 4 -11,-2.9 -11,-0.1 -2,-0.6 5,-0.1 -0.159 98.4 3.1 -47.4 124.1 37.8 26.1 34.6 40 40 A G T 345S+ 0 0 33 3,-1.0 -1,-0.3 1,-0.1 -25,-0.1 0.433 130.5 59.7 77.6 -0.1 39.5 27.0 37.9 41 41 A I T <45S+ 0 0 80 -3,-2.7 -2,-0.2 2,-0.1 -1,-0.1 0.705 119.1 9.4-123.0 -52.3 37.2 30.0 38.5 42 42 A T T <5S+ 0 0 74 -4,-2.1 2,-0.3 1,-0.1 -3,-0.2 0.249 125.8 49.9-117.2 9.9 33.5 28.9 38.8 43 43 A I B < -f 39 0C 8 -5,-0.8 -3,-1.0 -6,-0.1 213,-0.2 -0.995 62.6-155.6-149.2 144.4 34.0 25.1 38.8 44 44 A E >> - 0 0 68 -2,-0.3 3,-1.5 -5,-0.1 4,-1.2 -0.895 32.8-111.6-119.3 148.7 36.2 22.7 40.7 45 45 A P H 3> S+ 0 0 17 0, 0.0 4,-3.3 0, 0.0 3,-0.3 0.828 115.4 58.9 -45.6 -41.7 37.3 19.2 39.7 46 46 A K H 3> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.832 102.2 53.9 -60.2 -33.7 35.1 17.5 42.3 47 47 A Q H <> S+ 0 0 103 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.839 113.6 43.5 -69.7 -31.9 32.1 19.1 40.8 48 48 A V H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.3 5,-0.3 0.954 115.0 45.7 -76.9 -53.0 33.1 17.6 37.4 49 49 A Y H X S+ 0 0 10 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.887 113.9 51.6 -58.1 -38.6 34.1 14.1 38.7 50 50 A D H < S+ 0 0 85 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.916 110.5 47.7 -64.1 -43.6 30.9 14.1 40.7 51 51 A A H ><>S+ 0 0 4 -4,-1.4 5,-1.6 2,-0.2 3,-1.4 0.944 114.8 44.5 -62.4 -50.1 28.8 15.0 37.7 52 52 A M H ><5S+ 0 0 10 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.909 108.2 60.0 -59.8 -40.5 30.5 12.3 35.5 53 53 A R T 3<5S+ 0 0 198 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.648 102.4 55.1 -61.4 -15.9 30.1 10.0 38.5 54 54 A Q T < 5S- 0 0 133 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 -0.012 131.1 -89.6-108.3 28.0 26.4 10.6 38.1 55 55 A G T < 5S+ 0 0 59 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.736 83.5 137.5 75.1 22.8 26.1 9.6 34.5 56 56 A H < - 0 0 45 -5,-1.6 2,-0.8 -4,-0.1 -1,-0.3 -0.767 51.0-139.6-102.5 149.3 26.8 13.0 33.0 57 57 A T - 0 0 40 -2,-0.3 2,-0.3 298,-0.1 -24,-0.2 -0.873 21.2-156.2-107.6 96.4 29.0 13.8 30.1 58 58 A V - 0 0 6 -2,-0.8 2,-0.2 202,-0.2 -26,-0.2 -0.580 14.1-162.7 -73.0 132.9 30.8 16.9 31.1 59 59 A K E -E 31 0B 82 -28,-2.8 -28,-2.8 -2,-0.3 2,-0.3 -0.696 6.0-147.0-114.2 167.6 32.0 18.8 28.0 60 60 A T E -E 30 0B 34 -30,-0.3 2,-0.3 -2,-0.2 -30,-0.2 -0.893 10.5-173.1-132.5 162.8 34.6 21.5 27.4 61 61 A A E -E 29 0B 26 -32,-2.2 -32,-2.2 -2,-0.3 3,-0.1 -0.944 31.9 -96.4-148.7 164.7 34.9 24.4 25.0 62 62 A Q - 0 0 79 -2,-0.3 -34,-0.1 -34,-0.2 2,-0.1 -0.438 48.8 -98.9 -80.0 156.9 37.5 27.0 24.1 63 63 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 -0.452 53.3 -93.5 -71.5 160.7 37.3 30.4 25.7 64 64 A S > - 0 0 58 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.365 23.1-120.1 -73.8 154.6 35.6 32.9 23.4 65 65 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.858 118.5 55.2 -59.4 -32.8 37.7 35.1 21.1 66 66 A L H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 105.7 49.5 -65.2 -46.9 36.1 38.0 23.0 67 67 A A H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.934 112.6 49.1 -57.8 -46.1 37.3 36.6 26.3 68 68 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.952 111.7 47.2 -58.3 -52.5 40.8 36.3 24.8 69 69 A K H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.856 108.5 55.0 -60.0 -37.0 40.8 39.8 23.4 70 70 A E H < S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.7 50.4 -63.2 -37.1 39.6 41.3 26.7 71 71 A L H < S+ 0 0 34 -4,-1.7 4,-0.4 -3,-0.3 -2,-0.2 0.871 118.1 35.7 -69.2 -39.2 42.5 39.6 28.5 72 72 A F H >X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.1 3,-0.9 0.839 99.5 77.8 -84.4 -35.8 45.2 40.9 26.1 73 73 A L H 3X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.855 88.6 55.9 -42.1 -53.2 43.8 44.3 25.3 74 74 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 111.2 45.3 -50.2 -44.1 44.9 45.9 28.7 75 75 A Y H <4>S+ 0 0 39 -3,-0.9 5,-2.9 -4,-0.4 4,-0.3 0.857 109.2 55.4 -68.5 -36.1 48.5 44.9 28.0 76 76 A A H <5S+ 0 0 5 -4,-1.8 -1,-0.2 3,-0.2 -3,-0.2 0.897 110.2 47.0 -63.0 -41.0 48.3 46.1 24.3 77 77 A K H <5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.4 40.1 -67.9 -48.9 47.2 49.6 25.6 78 78 A E T <5S- 0 0 88 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.496 111.5-130.3 -78.2 -0.6 49.9 49.9 28.3 79 79 A N T 5 + 0 0 83 -4,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.918 44.7 168.6 52.3 51.2 52.1 48.3 25.6 80 80 A R < - 0 0 49 -5,-2.9 -1,-0.2 -6,-0.1 2,-0.2 -0.806 39.2-112.6 -96.6 132.8 53.5 45.7 28.0 81 81 A P - 0 0 14 0, 0.0 -77,-3.0 0, 0.0 2,-0.3 -0.440 41.5-164.0 -64.9 131.7 55.5 42.8 26.4 82 82 A C E -ac 4 114A 0 31,-3.7 33,-2.6 -79,-0.2 2,-0.4 -0.906 24.1-166.0-125.6 149.7 53.6 39.5 26.8 83 83 A L E -ac 5 115A 0 -79,-2.4 -77,-3.3 -2,-0.3 2,-0.6 -0.980 10.3-168.7-130.2 115.2 54.3 35.7 26.6 84 84 A Y E -ac 6 116A 0 31,-3.1 33,-2.7 -2,-0.4 2,-1.0 -0.929 6.9-159.4-108.6 111.9 51.2 33.5 26.5 85 85 A I E -ac 7 117A 0 -79,-2.6 -77,-0.6 -2,-0.6 2,-0.2 -0.800 23.4-156.1 -92.1 101.1 52.1 29.8 26.9 86 86 A A E - c 0 118A 0 31,-2.3 33,-1.7 -2,-1.0 35,-0.5 -0.492 18.7 -99.9 -88.3 151.2 49.1 28.0 25.4 87 87 A F - 0 0 17 -2,-0.2 8,-0.3 1,-0.2 35,-0.2 -0.203 68.6 -65.7 -56.8 148.5 47.6 24.5 26.0 88 88 A S >> - 0 0 0 33,-2.4 3,-1.5 1,-0.2 4,-1.0 -0.094 39.0-140.1 -43.4 129.3 48.6 22.0 23.2 89 89 A S T 34 S+ 0 0 36 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.686 103.3 59.3 -66.2 -18.5 47.2 23.0 19.8 90 90 A K T 34 S+ 0 0 93 98,-0.2 -1,-0.3 1,-0.2 100,-0.2 0.568 107.9 44.3 -86.0 -10.3 46.5 19.3 19.3 91 91 A L T <4 S+ 0 0 11 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.557 127.1 9.9-107.5 -13.0 44.3 19.1 22.3 92 92 A S < - 0 0 17 -4,-1.0 3,-0.5 -5,-0.1 -1,-0.3 -0.982 58.4-131.2-162.3 152.7 42.3 22.3 21.7 93 93 A G S > S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.431 84.0 102.4 -86.9 1.4 41.8 25.0 19.0 94 94 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 76.5 53.6 -49.2 -47.9 42.4 27.6 21.7 95 95 A Y H > S+ 0 0 39 -3,-0.5 4,-2.0 -8,-0.3 -1,-0.2 0.941 110.7 43.9 -55.2 -53.9 45.9 28.2 20.5 96 96 A Q H > S+ 0 0 121 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.920 113.0 52.3 -60.4 -43.8 44.9 28.9 16.9 97 97 A T H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.931 109.1 50.6 -57.0 -45.7 42.0 31.1 18.0 98 98 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.841 106.6 54.0 -62.6 -34.2 44.4 33.1 20.1 99 99 A M H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.886 109.2 49.9 -67.0 -35.2 46.8 33.5 17.2 100 100 A A H X S+ 0 0 59 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.948 110.4 48.6 -65.5 -48.8 43.8 34.9 15.3 101 101 A V H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.856 107.8 57.5 -58.9 -34.2 43.0 37.2 18.1 102 102 A R H X S+ 0 0 65 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.915 105.4 48.8 -63.9 -44.1 46.7 38.2 18.1 103 103 A S H X S+ 0 0 76 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.953 110.1 50.9 -59.9 -51.0 46.6 39.3 14.5 104 104 A E H X S+ 0 0 104 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.942 112.9 46.6 -50.4 -53.0 43.5 41.4 15.0 105 105 A L H X S+ 0 0 0 -4,-2.3 4,-3.9 1,-0.2 -1,-0.2 0.832 108.4 55.2 -60.9 -36.0 45.1 43.1 18.0 106 106 A L H < S+ 0 0 53 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 103.6 56.0 -66.6 -33.8 48.3 43.7 16.0 107 107 A D H < S+ 0 0 142 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.911 118.9 32.0 -63.7 -40.7 46.3 45.5 13.4 108 108 A E H < S+ 0 0 94 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 132.9 31.2 -82.9 -41.9 45.0 47.9 16.0 109 109 A Y S >< S- 0 0 72 -4,-3.9 3,-1.5 -5,-0.2 -1,-0.2 -0.635 73.8-179.3-119.0 74.2 48.0 47.9 18.2 110 110 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.243 73.4 41.7 -63.5 167.4 51.1 47.4 16.2 111 111 A E T 3 S+ 0 0 174 1,-0.3 2,-0.6 -5,-0.0 -5,-0.1 0.294 81.1 132.0 76.7 -14.6 54.3 47.4 18.4 112 112 A F < - 0 0 6 -3,-1.5 2,-1.1 -6,-0.1 -1,-0.3 -0.632 53.1-145.4 -71.7 114.5 52.4 45.3 20.9 113 113 A R + 0 0 130 -2,-0.6 -31,-3.7 -3,-0.1 2,-0.5 -0.721 35.0 155.1 -89.6 96.7 54.8 42.5 21.7 114 114 A L E -c 82 0A 4 -2,-1.1 2,-0.5 -33,-0.2 -31,-0.2 -0.977 18.2-172.9-122.7 114.9 52.7 39.4 22.3 115 115 A T E -c 83 0A 44 -33,-2.6 -31,-3.1 -2,-0.5 2,-0.5 -0.923 5.5-161.9-109.5 132.1 54.3 36.0 21.7 116 116 A I E -c 84 0A 14 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.968 3.2-158.3-116.0 126.3 52.2 32.9 21.9 117 117 A I E -c 85 0A 3 -33,-2.7 -31,-2.3 -2,-0.5 2,-1.4 -0.912 14.8-142.2-105.4 125.5 53.9 29.6 22.4 118 118 A D E -c 86 0A 29 -2,-0.5 -31,-0.1 1,-0.2 -30,-0.1 -0.761 21.8-165.9 -82.2 98.3 52.0 26.5 21.3 119 119 A S - 0 0 1 -33,-1.7 -1,-0.2 -2,-1.4 -32,-0.1 0.808 14.6-148.4 -58.2 -32.8 53.3 24.5 24.3 120 120 A K + 0 0 62 -34,-0.3 68,-0.5 1,-0.3 2,-0.3 0.736 66.6 114.6 64.9 19.9 52.3 21.0 22.9 121 121 A C - 0 0 2 -35,-0.5 -33,-2.4 66,-0.1 -1,-0.3 -0.759 51.0-162.4-120.0 166.3 51.9 20.5 26.6 122 122 A A >> - 0 0 12 -2,-0.3 3,-1.8 -35,-0.2 4,-0.5 -0.987 52.9 -13.3-147.6 154.3 49.1 19.7 29.0 123 123 A S H >> S- 0 0 8 -113,-1.9 4,-2.4 -2,-0.3 3,-1.0 -0.210 129.1 -10.4 53.4-140.6 48.4 19.9 32.8 124 124 A L H 3> S+ 0 0 0 1,-0.3 4,-3.2 2,-0.3 -1,-0.3 0.645 129.5 69.2 -64.5 -16.5 51.6 20.3 34.9 125 125 A G H <> S+ 0 0 0 -3,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.937 111.0 35.6 -64.9 -41.6 53.8 19.7 31.8 126 126 A Q H S+ 0 0 13 -4,-2.6 5,-2.0 1,-0.2 3,-0.4 0.895 112.6 52.5 -62.2 -38.8 63.2 33.9 33.8 137 137 A A H ><5S+ 0 0 14 -4,-2.5 3,-1.3 1,-0.2 -134,-0.3 0.857 106.4 50.7 -66.5 -38.6 60.9 37.0 33.7 138 138 A K H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.687 106.7 56.0 -74.7 -14.9 61.7 38.1 37.2 139 139 A Q T 3<5S- 0 0 126 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.387 116.3-120.2 -91.0 1.9 65.4 37.7 36.4 140 140 A N T < 5 - 0 0 128 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.941 43.0-177.0 56.7 49.7 64.7 40.2 33.6 141 141 A T < - 0 0 23 -5,-2.0 -1,-0.2 1,-0.1 5,-0.1 -0.600 41.0 -90.0 -73.8 137.9 65.9 37.7 31.0 142 142 A P > - 0 0 85 0, 0.0 4,-3.1 0, 0.0 5,-0.2 -0.219 38.3-116.5 -52.4 140.9 65.8 39.4 27.5 143 143 A Y H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 109.2 40.0 -45.3 -62.2 62.4 39.0 25.8 144 144 A N H > S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 117.5 49.1 -60.0 -45.1 63.4 36.9 22.7 145 145 A L H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 112.4 49.7 -59.5 -43.0 65.9 34.8 24.7 146 146 A L H X S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.936 112.9 45.6 -61.1 -50.1 63.2 34.1 27.3 147 147 A C H X S+ 0 0 10 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.911 113.6 49.2 -60.8 -45.1 60.6 33.2 24.7 148 148 A E H X S+ 0 0 113 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.886 111.1 50.4 -62.8 -39.9 63.0 30.9 22.8 149 149 A T H X S+ 0 0 33 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.908 109.3 49.3 -66.2 -43.5 64.1 29.2 26.0 150 150 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 109.8 53.0 -66.6 -32.2 60.6 28.4 27.1 151 151 A E H X S+ 0 0 71 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.907 111.0 45.4 -69.4 -40.4 59.8 27.0 23.7 152 152 A S H X S+ 0 0 32 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.905 110.7 55.1 -66.6 -40.9 62.8 24.7 23.9 153 153 A Y H >< S+ 0 0 9 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.936 108.6 47.5 -56.2 -48.5 61.8 23.8 27.4 154 154 A C H >< S+ 0 0 8 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.854 104.0 62.5 -62.3 -35.0 58.3 22.8 26.2 155 155 A R H 3< S+ 0 0 147 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.596 107.2 44.0 -68.0 -10.5 59.9 20.8 23.4 156 156 A H T << S+ 0 0 44 -3,-1.4 117,-2.8 -4,-0.6 118,-0.4 0.290 85.0 116.9-117.5 9.9 61.6 18.5 25.9 157 157 A M E < -G 272 0D 15 -3,-1.3 2,-0.4 -4,-0.2 115,-0.2 -0.552 49.6-152.3 -80.8 141.9 58.7 17.9 28.3 158 158 A E E -G 271 0D 23 113,-2.7 113,-0.9 -2,-0.2 2,-0.4 -0.869 6.1-163.9-111.8 146.4 57.4 14.4 28.8 159 159 A H E +G 270 0D 5 26,-0.5 26,-1.7 -2,-0.4 2,-0.5 -0.948 12.8 174.6-131.3 109.7 53.8 13.6 29.9 160 160 A I E +GH 269 184D 0 109,-2.4 109,-2.6 -2,-0.4 2,-0.3 -0.974 16.9 155.4-119.8 120.1 53.3 10.0 31.1 161 161 A F E -GH 268 183D 19 22,-2.2 22,-3.3 -2,-0.5 2,-0.3 -0.902 32.1-150.6-143.7 170.0 49.9 9.1 32.5 162 162 A T E -GH 267 182D 0 105,-2.4 105,-2.4 -2,-0.3 2,-0.3 -0.986 11.9-164.0-139.3 146.1 47.2 6.6 33.3 163 163 A V - 0 0 0 18,-0.6 3,-0.2 -2,-0.3 102,-0.2 -0.793 29.3-121.0-123.5 167.1 43.4 6.9 33.6 164 164 A D S S+ 0 0 54 100,-1.2 2,-0.3 98,-0.3 101,-0.1 0.872 98.3 9.8 -77.1 -36.2 40.8 4.6 35.1 165 165 A N >> - 0 0 67 97,-0.4 3,-1.0 99,-0.3 4,-0.5 -0.966 59.1-146.9-148.9 126.7 38.9 4.1 31.9 166 166 A L H 3> S+ 0 0 39 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.545 87.5 85.1 -67.7 -8.8 39.8 5.1 28.3 167 167 A D H 3> S+ 0 0 105 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.892 86.2 53.3 -62.0 -39.5 36.1 5.7 27.5 168 168 A Y H <> S+ 0 0 52 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.959 112.1 42.8 -59.2 -54.4 36.3 9.2 28.9 169 169 A L H X>S+ 0 0 5 -4,-0.5 4,-0.9 93,-0.3 5,-0.9 0.893 116.5 50.9 -58.8 -39.7 39.2 10.2 26.7 170 170 A A H ><5S+ 0 0 38 -4,-2.4 3,-1.0 1,-0.2 5,-0.2 0.950 112.3 42.9 -63.9 -52.0 37.6 8.4 23.8 171 171 A R H 3<5S+ 0 0 105 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 109.9 60.3 -66.2 -25.2 34.2 10.1 24.1 172 172 A G H 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.741 108.3-130.7 -72.4 -23.5 36.1 13.3 24.7 173 173 A G T <<5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.290 78.3 110.2 93.9 -9.7 37.7 12.9 21.3 174 174 A R S S- I 0 189D 114 3,-2.5 3,-2.4 -2,-0.6 -28,-0.1 -0.976 72.1 -24.7-120.8 116.8 53.9 12.8 21.8 187 196 A D T 3 S- 0 0 103 -2,-0.5 -1,-0.1 1,-0.3 -66,-0.1 0.847 128.8 -47.8 49.6 39.1 54.4 16.1 20.0 188 197 A G T 3 S+ 0 0 1 -68,-0.5 -1,-0.3 1,-0.3 2,-0.3 0.322 118.4 104.6 89.3 -9.2 51.3 17.5 21.7 189 198 A A E < S-I 186 0D 28 -3,-2.4 -3,-2.5 -100,-0.1 2,-0.5 -0.711 72.2-112.7-108.3 158.9 49.0 14.6 21.1 190 199 A L E -I 185 0D 21 -16,-0.5 -5,-0.2 -2,-0.3 -7,-0.0 -0.768 33.2-177.4 -89.6 127.0 47.6 11.8 23.3 191 200 A I E -I 184 0D 59 -7,-2.4 -7,-1.5 -2,-0.5 2,-0.2 -0.969 25.4-132.6-129.1 113.8 48.9 8.3 22.3 192 201 A P E +I 183 0D 64 0, 0.0 -9,-0.2 0, 0.0 3,-0.1 -0.482 33.1 174.2 -63.2 131.3 47.8 5.2 24.1 193 202 A L E + 0 0 64 -11,-2.2 2,-0.3 1,-0.3 -10,-0.2 0.854 44.2 1.4-108.2 -61.2 51.0 3.3 24.9 194 203 A E E -I 182 0D 52 -12,-2.3 -12,-2.9 2,-0.0 2,-0.4 -0.849 48.6-138.5-133.2 169.1 50.6 0.2 27.0 195 204 A K E +I 181 0D 129 -2,-0.3 2,-0.3 -14,-0.2 -16,-0.1 -0.996 25.1 177.4-128.6 124.2 48.1 -2.0 28.8 196 205 A W E -I 180 0D 82 -16,-2.5 -16,-3.2 -2,-0.4 2,-0.7 -0.946 33.3-112.7-129.4 151.4 48.9 -3.4 32.3 197 206 A R E S-I 179 0D 178 -2,-0.3 4,-0.4 -18,-0.2 -18,-0.2 -0.725 82.0 -8.9 -85.2 116.0 46.9 -5.5 34.7 198 207 A G S > S- 0 0 28 -20,-2.0 4,-1.1 -2,-0.7 3,-0.4 0.334 80.2 -87.4 79.7 151.6 46.0 -3.5 37.8 199 208 A R H >> S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.919 115.3 63.1 -58.2 -55.0 47.1 -0.1 39.1 200 209 A K H 3> S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 105.0 48.7 -43.7 -41.6 50.2 -1.1 41.0 201 210 A K H 3> S+ 0 0 104 -4,-0.4 4,-2.5 -3,-0.4 -1,-0.2 0.879 108.4 49.7 -72.0 -39.9 51.9 -2.2 37.8 202 211 A V H > S+ 0 0 73 -2,-0.4 3,-1.5 1,-0.1 4,-0.6 0.926 77.3 178.7 51.9 47.1 69.4 14.2 35.1 217 226 A L G >4 + 0 0 17 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.771 69.5 61.7 -51.9 -33.8 66.2 13.4 37.0 218 227 A Q G 34 S+ 0 0 130 1,-0.2 29,-0.5 28,-0.1 -1,-0.3 0.796 104.0 48.9 -66.6 -28.1 67.7 14.2 40.4 219 228 A K G <4 S+ 0 0 112 -3,-1.5 -1,-0.2 27,-0.1 -2,-0.2 0.563 99.5 91.9 -87.3 -8.8 68.2 17.8 39.4 220 229 A Q S << S- 0 0 6 -3,-0.8 2,-0.8 -4,-0.6 28,-0.6 -0.520 77.4-125.2 -90.5 153.7 64.7 18.2 38.1 221 230 A T E -j 248 0D 30 -2,-0.2 2,-0.4 26,-0.1 28,-0.3 -0.864 35.0-145.3 -92.6 110.1 61.5 19.4 39.7 222 231 A I E -j 249 0D 0 26,-3.1 28,-2.3 -2,-0.8 2,-0.4 -0.659 8.4-146.4 -82.2 129.8 59.2 16.4 39.0 223 232 A G E +jK 250 270D 0 47,-2.3 47,-2.5 -2,-0.4 2,-0.4 -0.767 17.7 179.2 -97.9 142.2 55.6 17.3 38.3 224 233 A I E -jK 251 269D 0 26,-2.4 28,-2.0 -2,-0.4 2,-0.4 -0.959 1.8-177.2-142.1 121.1 52.7 15.0 39.4 225 234 A S E -jK 252 268D 1 43,-1.7 43,-2.3 -2,-0.4 2,-0.3 -0.928 5.6-173.2-120.1 147.9 49.0 15.8 38.8 226 235 A H E -jK 253 267D 4 26,-1.5 28,-2.3 -2,-0.4 2,-1.6 -0.961 34.1-115.6-139.2 153.1 46.0 13.6 40.0 227 236 A A S S- 0 0 5 39,-2.1 38,-0.8 -2,-0.3 39,-0.1 -0.642 90.0 -54.0 -89.2 80.4 42.3 13.6 39.6 228 237 A D S S+ 0 0 71 -2,-1.6 -1,-0.2 26,-0.1 3,-0.1 0.936 114.1 113.2 49.0 54.8 41.4 14.2 43.2 229 238 A D >> + 0 0 43 37,-0.1 4,-1.8 1,-0.1 3,-1.1 -0.319 25.8 156.9-148.0 53.7 43.6 11.3 44.4 230 239 A E H 3> + 0 0 109 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.826 69.5 68.3 -52.9 -33.0 46.4 12.8 46.3 231 240 A E H 3> S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.908 105.0 40.2 -54.6 -45.6 47.0 9.6 48.1 232 241 A T H <> S+ 0 0 15 -3,-1.1 4,-3.3 2,-0.2 5,-0.2 0.899 113.0 55.1 -71.7 -40.0 48.2 7.9 45.0 233 242 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.947 110.0 46.4 -56.6 -48.5 50.1 11.0 43.9 234 243 A L H X S+ 0 0 88 -4,-3.4 4,-1.4 1,-0.2 -1,-0.3 0.808 112.3 52.5 -63.0 -29.0 52.0 10.9 47.2 235 244 A E H X S+ 0 0 77 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.920 110.3 46.1 -71.1 -45.6 52.4 7.2 46.7 236 245 A L H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 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