==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-11 3QIT . COMPND 2 MOLECULE: POLYKETIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA 19L; . AUTHOR J.J.GEHRET,J.L.SMITH . 1117 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 788 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 8 0.7 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 . 101 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 5 0 0 0 1 7 11 5 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 4 4 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 . 4 0 0 8 0 0 4 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 4 0 0 0 0 4 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 N 0 0 171 0, 0.0 48,-0.1 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 -48.9 21.0 36.0 54.1 2 0 A A - 0 0 75 1,-0.1 19,-0.3 18,-0.1 2,-0.1 -0.224 360.0 -97.5 -71.0 151.7 24.4 34.5 53.0 3 1 A M - 0 0 37 17,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.423 35.9-153.8 -64.3 137.1 26.7 36.0 50.4 4 2 A E E -A 19 0A 111 15,-2.9 15,-2.4 -2,-0.1 2,-0.4 -0.871 6.5-157.1-108.4 150.4 26.5 34.4 46.9 5 3 A E E +A 18 0A 80 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.982 16.3 165.6-129.4 140.1 29.4 34.5 44.5 6 4 A K E -A 17 0A 96 11,-1.6 11,-3.0 -2,-0.4 2,-0.4 -0.986 28.2-125.9-146.4 153.8 29.4 34.1 40.7 7 5 A F E -A 16 0A 92 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.799 15.6-163.8-102.4 144.8 32.0 34.8 38.0 8 6 A L E -A 15 0A 15 7,-2.3 7,-3.0 -2,-0.4 2,-0.2 -0.995 21.2-127.2-125.2 127.8 31.6 37.0 35.0 9 7 A E E +A 14 0A 104 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.534 36.4 163.0 -75.5 139.7 34.0 36.8 32.1 10 8 A F E > -A 13 0A 40 3,-2.5 3,-1.7 -2,-0.2 344,-0.1 -0.841 63.6 -15.0-159.2 120.5 35.5 40.1 30.9 11 9 A G T 3 S- 0 0 16 1,-0.3 3,-0.1 -2,-0.3 342,-0.1 0.818 125.8 -52.4 60.7 34.5 38.6 40.7 28.7 12 10 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 341,-0.1 2,-0.2 0.467 125.5 92.8 78.3 4.3 39.9 37.1 29.0 13 11 A N E < S-A 10 0A 24 -3,-1.7 -3,-2.5 340,-0.1 2,-0.4 -0.605 74.0-115.5-119.3 178.9 39.6 37.4 32.8 14 12 A Q E -A 9 0A 78 -5,-0.2 53,-2.5 -2,-0.2 2,-0.5 -0.979 14.5-154.8-124.2 130.3 37.0 36.6 35.5 15 13 A I E -A 8 0A 0 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.6 -0.885 13.5-144.1-101.9 122.7 35.3 39.0 37.8 16 14 A C E -A 7 0A 0 -2,-0.5 43,-2.7 43,-0.3 2,-0.6 -0.796 15.4-161.3 -84.4 122.7 34.0 37.6 41.1 17 15 A L E -AB 6 58A 3 -11,-3.0 -11,-1.6 -2,-0.6 2,-0.4 -0.936 2.1-160.2-107.0 122.2 30.8 39.2 42.1 18 16 A C E +AB 5 57A 0 39,-2.0 39,-3.3 -2,-0.6 2,-0.3 -0.802 18.1 177.8 -92.0 138.5 29.6 39.0 45.7 19 17 A S E -AB 4 56A 1 -15,-2.4 -15,-2.9 -2,-0.4 2,-0.3 -0.988 18.7-169.2-144.3 153.8 25.9 39.6 46.4 20 18 A W E + B 0 55A 0 35,-1.9 35,-2.5 -2,-0.3 -17,-0.1 -0.978 53.0 25.4-134.4 145.8 23.4 39.6 49.2 21 19 A G S S- 0 0 25 -2,-0.3 33,-0.2 -19,-0.3 29,-0.1 -0.240 98.2 -28.6 96.2 176.7 19.7 39.7 49.1 22 20 A S > - 0 0 46 27,-0.3 3,-2.4 31,-0.3 -2,-0.1 -0.524 49.9-134.1 -73.5 132.3 17.0 38.8 46.6 23 21 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.655 104.5 56.2 -62.1 -18.0 18.0 38.9 42.9 24 22 A E T 3 S+ 0 0 142 29,-0.1 3,-0.1 2,-0.1 30,-0.1 0.455 89.2 100.5 -89.9 -0.6 14.8 40.8 42.0 25 23 A H S < S- 0 0 65 -3,-2.4 28,-0.2 1,-0.1 29,-0.1 -0.457 88.0 -81.2 -90.3 157.5 15.4 43.6 44.5 26 24 A P - 0 0 75 0, 0.0 28,-2.7 0, 0.0 2,-0.3 -0.283 56.6-115.5 -57.8 139.8 16.7 47.2 43.7 27 25 A V E -c 54 0A 15 26,-0.2 70,-2.1 68,-0.1 2,-0.5 -0.534 24.1-167.6 -89.7 135.7 20.5 47.1 43.5 28 26 A V E -cd 55 97A 0 26,-2.7 28,-2.8 -2,-0.3 2,-0.5 -0.985 18.1-157.4-111.3 116.2 23.1 48.8 45.7 29 27 A L E -cd 56 98A 0 68,-3.1 70,-3.0 -2,-0.5 2,-0.4 -0.852 9.1-166.0 -99.0 120.9 26.4 48.5 43.9 30 28 A C E - d 0 99A 1 26,-2.8 2,-0.6 -2,-0.5 70,-0.2 -0.927 7.6-159.5-116.9 130.4 29.5 48.8 46.3 31 29 A I E - d 0 100A 0 68,-2.6 70,-2.3 -2,-0.4 77,-0.1 -0.945 13.8-148.0-114.7 112.2 33.1 49.4 45.1 32 30 A H - 0 0 4 -2,-0.6 2,-0.1 26,-0.5 3,-0.1 -0.166 15.1-119.1 -71.6 167.5 35.8 48.4 47.6 33 31 A G > - 0 0 0 1,-0.2 3,-1.6 70,-0.2 27,-0.1 -0.327 52.9 -41.0-100.7-170.7 39.2 50.2 48.0 34 32 A I T 3 S+ 0 0 29 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.209 122.4 3.3 -64.4 138.4 42.8 49.0 47.5 35 33 A L T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.1 29,-0.2 0.226 110.6 101.2 75.3 -7.7 43.8 45.5 48.9 36 34 A E < - 0 0 32 -3,-1.6 28,-0.5 27,-0.1 2,-0.3 0.160 58.2-144.6 -92.0-155.2 40.2 44.8 50.0 37 35 A Q > - 0 0 4 26,-0.1 3,-1.4 -3,-0.1 4,-0.2 -0.962 34.9 -89.6-168.2 163.7 37.5 42.6 48.4 38 36 A G G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.3 4,-0.1 0.867 119.8 64.3 -59.1 -33.6 33.7 42.5 47.8 39 37 A L G > S+ 0 0 5 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.733 83.4 77.8 -63.4 -23.8 33.2 40.6 51.1 40 38 A A G < S+ 0 0 1 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.707 87.5 60.6 -56.8 -21.6 34.6 43.7 53.0 41 39 A W G X> S+ 0 0 2 -3,-2.1 4,-3.1 -4,-0.2 3,-1.1 0.427 73.5 105.7 -81.9 -0.5 31.1 45.2 52.4 42 40 A Q H <> S+ 0 0 31 -3,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.833 74.9 50.8 -57.0 -42.3 29.3 42.4 54.4 43 41 A E H 34 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.2 234,-0.1 0.774 118.4 40.0 -69.9 -24.7 28.5 44.4 57.6 44 42 A V H <> S+ 0 0 0 -3,-1.1 4,-1.3 -4,-0.1 -2,-0.2 0.853 115.0 53.8 -79.6 -41.5 27.0 47.1 55.4 45 43 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.832 97.1 62.8 -67.7 -36.4 25.3 44.7 53.0 46 44 A L H X S+ 0 0 40 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.945 106.4 42.3 -61.5 -49.1 23.4 42.6 55.6 47 45 A P H > S+ 0 0 47 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.859 115.1 52.1 -67.5 -31.1 21.1 45.4 56.9 48 46 A L H ><>S+ 0 0 0 -4,-1.3 5,-1.4 2,-0.2 3,-0.6 0.923 110.4 47.2 -65.2 -44.1 20.6 46.7 53.4 49 47 A A H ><5S+ 0 0 20 -4,-2.9 3,-1.6 1,-0.2 -27,-0.3 0.862 107.1 57.8 -65.4 -35.7 19.6 43.2 52.1 50 48 A A H 3<5S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.0 54.3 -62.6 -25.7 17.2 42.8 55.2 51 49 A Q T <<5S- 0 0 133 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.183 131.9 -86.9 -97.2 17.2 15.5 46.0 54.0 52 50 A G T < 5S+ 0 0 24 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.740 84.4 128.3 88.1 25.6 14.8 44.7 50.5 53 51 A Y < - 0 0 61 -5,-1.4 2,-0.6 -28,-0.2 -1,-0.3 -0.821 54.1-135.7-107.6 153.4 17.9 45.6 48.5 54 52 A R E - c 0 27A 22 -28,-2.7 -26,-2.7 -2,-0.3 2,-0.5 -0.952 25.9-157.7 -99.9 111.7 20.1 43.4 46.3 55 53 A V E -Bc 20 28A 0 -35,-2.5 -35,-1.9 -2,-0.6 2,-0.4 -0.821 10.2-173.5 -96.7 128.8 23.7 44.4 47.3 56 54 A V E +Bc 19 29A 2 -28,-2.8 -26,-2.8 -2,-0.5 -37,-0.2 -0.987 7.6 175.3-125.8 130.6 26.4 43.6 44.7 57 55 A A E -B 18 0A 0 -39,-3.3 -39,-2.0 -2,-0.4 -19,-0.1 -0.880 14.4-156.3-137.9 102.2 30.1 44.0 45.4 58 56 A P E -B 17 0A 1 0, 0.0 2,-0.6 0, 0.0 -26,-0.5 -0.440 20.7-121.7 -73.2 150.2 32.6 43.0 42.7 59 57 A D - 0 0 0 -43,-2.7 -43,-0.3 -22,-0.1 3,-0.1 -0.815 33.5-125.5 -81.4 126.4 36.2 42.1 43.5 60 58 A L > - 0 0 0 -2,-0.6 3,-2.3 -27,-0.1 6,-0.3 -0.397 43.3 -78.3 -64.9 154.7 38.4 44.5 41.5 61 59 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 4,-0.1 -1,-0.1 -0.212 123.1 24.2 -53.9 144.9 41.0 42.7 39.3 62 60 A G T 3 S+ 0 0 0 5,-2.4 137,-2.7 1,-0.2 2,-0.3 0.356 113.3 90.3 78.2 -5.9 43.9 41.5 41.3 63 61 A H S X S- 0 0 0 -3,-2.3 3,-2.1 4,-0.2 -1,-0.2 -0.836 88.3 -17.3-120.2 159.2 41.8 41.5 44.5 64 62 A G T 3 S- 0 0 4 -28,-0.5 -27,-0.1 -2,-0.3 133,-0.0 -0.279 124.4 -28.2 56.4-125.8 39.6 39.0 46.3 65 63 A R T 3 S+ 0 0 114 -49,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.292 106.1 114.8-108.3 8.6 38.7 36.1 44.0 66 64 A S S < S- 0 0 4 -3,-2.1 -51,-0.2 -6,-0.3 -4,-0.1 -0.390 77.7 -81.7 -76.4 158.1 38.9 38.0 40.7 67 65 A S - 0 0 31 -53,-2.5 -5,-2.4 -6,-0.1 2,-0.3 -0.204 37.2-125.4 -51.8 144.3 41.6 37.2 38.1 68 66 A H - 0 0 76 -7,-0.2 2,-0.6 -6,-0.1 -1,-0.1 -0.706 30.7-115.2 -82.2 144.5 45.1 38.6 38.5 69 67 A L - 0 0 6 -2,-0.3 6,-0.1 1,-0.2 5,-0.1 -0.734 18.1-151.4 -84.5 123.1 46.2 40.4 35.4 70 68 A E S S+ 0 0 150 -2,-0.6 2,-0.6 1,-0.1 -1,-0.2 0.760 85.4 59.8 -70.4 -24.7 49.1 38.6 33.8 71 69 A M S > S- 0 0 6 1,-0.1 3,-2.4 224,-0.1 4,-0.3 -0.932 79.2-148.5-107.1 116.6 50.5 41.7 32.3 72 70 A V G > S+ 0 0 34 -2,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.788 92.7 63.9 -55.7 -37.2 51.3 44.3 35.0 73 71 A T G 3 S+ 0 0 8 1,-0.3 -1,-0.3 289,-0.1 289,-0.2 0.618 85.6 75.2 -66.2 -11.6 50.6 47.3 32.9 74 72 A S G < S+ 0 0 6 -3,-2.4 2,-0.8 -5,-0.1 -1,-0.3 0.674 73.1 93.9 -69.7 -21.2 47.0 46.2 32.6 75 73 A Y < + 0 0 5 -3,-1.9 2,-0.3 -4,-0.3 3,-0.1 -0.696 57.1 125.0 -75.0 112.7 46.5 47.4 36.2 76 74 A S S > S- 0 0 30 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.969 75.0-107.6-158.8 160.1 45.2 51.0 35.8 77 75 A S H > S+ 0 0 4 135,-0.4 4,-2.3 132,-0.3 5,-0.2 0.870 120.9 59.1 -61.6 -34.2 42.2 53.0 37.0 78 76 A L H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 104.2 49.3 -59.8 -45.6 41.0 52.8 33.3 79 77 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.938 112.0 48.3 -58.5 -46.3 40.9 49.0 33.6 80 78 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.866 111.1 51.2 -62.6 -35.5 39.0 49.1 36.9 81 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 110.7 47.4 -69.3 -40.6 36.5 51.6 35.3 82 80 A A H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.859 111.4 53.0 -64.1 -37.1 36.0 49.3 32.4 83 81 A Q H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 111.2 44.7 -63.1 -48.2 35.5 46.5 34.8 84 82 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.903 110.8 54.0 -64.9 -38.8 32.9 48.3 36.8 85 83 A D H X S+ 0 0 18 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.911 107.9 50.9 -62.4 -41.0 31.1 49.5 33.6 86 84 A R H X S+ 0 0 46 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.912 108.1 52.2 -60.9 -42.9 30.9 45.8 32.5 87 85 A V H >X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.922 108.4 50.7 -59.9 -43.8 29.4 44.9 35.9 88 86 A I H >< S+ 0 0 9 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.898 104.7 57.6 -58.9 -40.7 26.8 47.6 35.4 89 87 A Q H 3< S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 105.7 51.6 -57.0 -31.8 26.0 46.2 31.9 90 88 A E H << S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.654 99.1 80.9 -83.2 -17.8 25.2 42.9 33.7 91 89 A L S << S- 0 0 29 -3,-1.0 -3,-0.0 -4,-0.8 0, 0.0 -0.436 97.4 -74.1 -88.9 163.4 22.8 44.4 36.2 92 90 A P - 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0 0 0 -3,-0.4 2,-0.2 107,-0.3 -1,-0.2 -0.489 9.1-139.0 -61.0 125.2 36.9 60.1 49.0 128 126 A P - 0 0 26 0, 0.0 114,-0.1 0, 0.0 -1,-0.1 -0.588 8.1-126.5 -84.4 152.2 40.7 60.8 48.5 129 127 A L - 0 0 31 -2,-0.2 3,-0.1 112,-0.2 88,-0.0 -0.836 36.5-108.2 -91.2 138.7 42.0 64.0 47.0 130 128 A P - 0 0 7 0, 0.0 82,-0.1 0, 0.0 -1,-0.1 -0.174 43.3 -83.1 -65.5 159.1 44.4 63.3 44.1 131 129 A A - 0 0 60 80,-0.3 2,-0.3 1,-0.1 86,-0.1 -0.349 47.5-113.7 -59.4 135.8 48.1 63.9 44.5 132 130 A E 0 0 127 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 -0.594 360.0 360.0 -73.9 133.5 49.2 67.5 43.8 133 131 A E 0 0 233 -2,-0.3 84,-0.2 0, 0.0 -2,-0.1 -0.354 360.0 360.0 58.1 360.0 51.4 67.9 40.7 134 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 135 135 A E 0 0 188 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.4 59.7 65.6 39.7 136 136 A S > - 0 0 44 1,-0.1 4,-1.6 3,-0.1 5,-0.1 0.009 360.0-126.8 -53.2 150.5 60.3 64.9 36.0 137 137 A A H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.828 109.1 59.2 -64.7 -35.7 58.2 62.5 34.0 138 138 A V H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 106.9 45.2 -59.2 -48.1 61.4 60.6 32.9 139 139 A N H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 113.6 51.2 -67.9 -32.3 62.3 59.8 36.4 140 140 A Q H X S+ 0 0 89 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.892 110.5 48.9 -62.6 -42.6 58.7 58.8 37.1 141 141 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.869 109.6 51.1 -69.8 -37.5 58.8 56.5 34.0 142 142 A T H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.954 111.3 47.9 -62.4 -51.1 62.1 54.9 35.1 143 143 A T H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.887 113.5 49.4 -55.3 -40.6 60.7 54.1 38.6 144 144 A C H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 111.0 46.4 -68.8 -49.2 57.6 52.7 37.0 145 145 A L H X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.872 113.2 49.8 -63.8 -38.9 59.3 50.4 34.5 146 146 A D H < S+ 0 0 79 -4,-2.5 3,-0.3 -5,-0.2 4,-0.3 0.902 112.5 48.6 -63.9 -40.8 61.7 49.1 37.2 147 147 A Y H >< S+ 0 0 29 -4,-2.0 3,-2.0 -5,-0.3 -2,-0.2 0.938 105.9 56.2 -64.2 -46.6 58.7 48.4 39.5 148 148 A L H 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -76,-0.2 0.783 109.6 46.9 -55.9 -30.0 56.7 46.6 36.7 149 149 A S T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.405 90.2 101.7 -94.0 -3.1 59.6 44.2 36.2 150 150 A S < - 0 0 47 -3,-2.0 51,-0.0 -4,-0.3 -3,-0.0 -0.365 68.4-142.7 -74.9 161.6 60.0 43.6 39.9 151 151 A T - 0 0 76 -2,-0.1 -3,-0.1 49,-0.0 -1,-0.1 -0.568 20.0-164.6-129.2 72.8 58.5 40.3 41.1 152 152 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.252 5.1-161.4 -61.0 141.7 57.1 41.1 44.5 153 153 A Q - 0 0 83 47,-0.1 606,-0.0 46,-0.1 46,-0.0 -0.948 16.0-119.3-124.9 148.8 56.2 38.2 46.6 154 154 A H - 0 0 23 -2,-0.4 46,-0.0 42,-0.2 2,-0.0 -0.581 33.7-110.3 -79.0 147.9 53.9 37.8 49.7 155 155 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 41,-0.4 -0.292 31.9-110.4 -68.8 160.8 55.3 36.6 53.0 156 156 A I - 0 0 63 39,-0.1 39,-0.2 37,-0.1 35,-0.0 -0.860 29.8-162.7 -98.4 122.1 54.4 33.1 54.4 157 157 A F B -H 194 0B 14 37,-3.2 37,-2.7 -2,-0.6 3,-0.1 -0.752 25.4-125.3 -97.0 150.8 52.2 33.0 57.4 158 158 A P S S- 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.838 83.8 -18.0 -62.4 -31.6 51.9 29.9 59.6 159 159 A D S > S- 0 0 74 35,-0.1 4,-1.4 34,-0.1 3,-0.4 -0.963 71.4 -88.7-164.9 171.9 48.1 29.8 59.2 160 160 A V H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.858 118.9 64.5 -63.8 -35.0 44.9 31.7 58.4 161 161 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 100.7 50.9 -57.7 -39.9 44.6 32.9 62.0 162 162 A T H > S+ 0 0 26 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.915 110.1 49.3 -60.3 -44.0 47.9 34.8 61.5 163 163 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.909 110.2 51.1 -61.4 -43.2 46.5 36.5 58.4 164 164 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.895 107.4 52.7 -60.7 -41.2 43.3 37.4 60.3 165 165 A S H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 106.0 54.8 -64.3 -38.5 45.4 38.9 63.1 166 166 A R H X S+ 0 0 118 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.903 107.3 50.1 -54.8 -43.6 47.2 41.1 60.4 167 167 A L H X S+ 0 0 35 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.911 110.5 49.6 -65.2 -41.7 43.8 42.3 59.2 168 168 A R H < S+ 0 0 79 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.803 107.1 54.7 -65.7 -31.0 42.8 43.2 62.8 169 169 A Q H < S+ 0 0 161 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.7 42.2 -64.9 -38.3 46.1 45.1 63.3 170 170 A A H < S+ 0 0 73 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.821 130.6 25.6 -78.7 -34.4 45.3 47.1 60.2 171 171 A I S >< S- 0 0 19 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.3 -0.756 71.1-172.6-131.7 86.6 41.6 47.6 61.1 172 172 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.719 79.0 65.0 -60.2 -19.4 41.3 47.3 64.9 173 173 A S T 3 S+ 0 0 61 94,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.600 75.4 110.9 -79.7 -9.4 37.4 47.4 64.9 174 174 A L S < S- 0 0 10 -3,-2.3 2,-0.1 -6,-0.2 96,-0.0 -0.436 70.9-124.9 -60.7 134.6 37.2 44.1 63.0 175 175 A S > - 0 0 62 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.364 22.4-112.2 -69.0 159.6 35.8 41.3 65.1 176 176 A E H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.940 119.4 50.1 -58.2 -43.0 37.9 38.2 65.4 177 177 A E H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 3,-0.2 0.941 112.6 43.3 -61.6 -49.5 35.2 36.4 63.4 178 178 A F H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 110.4 56.0 -69.6 -37.3 35.0 38.9 60.6 179 179 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.852 111.8 45.1 -59.2 -36.3 38.8 39.2 60.3 180 180 A Y H X S+ 0 0 78 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.911 109.6 52.3 -73.0 -45.4 38.9 35.5 59.8 181 181 A I H X S+ 0 0 38 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.899 115.6 44.1 -55.9 -40.6 36.0 35.4 57.3 182 182 A L H >X S+ 0 0 9 -4,-2.7 4,-1.0 -5,-0.2 3,-0.6 0.963 114.4 47.9 -67.9 -51.5 38.0 38.1 55.3 183 183 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.874 107.2 54.7 -61.9 -40.6 41.4 36.5 55.7 184 184 A Q H >< S+ 0 0 97 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.857 105.1 54.8 -64.8 -28.0 40.3 33.0 54.6 185 185 A R H << S+ 0 0 28 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.784 114.9 38.8 -76.6 -23.4 38.8 34.3 51.4 186 186 A I T << S+ 0 0 5 -4,-1.0 11,-2.2 -3,-0.6 12,-0.5 -0.062 101.4 85.8-121.4 29.5 42.1 36.0 50.3 187 187 A T E < -I 196 0B 20 -3,-0.9 9,-0.2 9,-0.3 -27,-0.0 -0.941 49.2-174.4-122.9 157.9 44.7 33.4 51.5 188 188 A Q E -I 195 0B 75 7,-2.4 7,-2.5 -2,-0.3 2,-0.1 -0.985 34.2 -97.3-142.3 152.4 46.1 30.3 49.8 189 189 A P E +I 194 0B 107 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.407 52.9 153.4 -68.1 145.7 48.4 27.5 50.9 190 190 A N E > -I 193 0B 42 3,-2.5 3,-2.4 -2,-0.1 -2,-0.0 -0.857 56.7 -1.2-171.8 136.2 52.0 27.9 50.0 191 191 A Q T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.3 -35,-0.0 0.803 128.1 -51.3 52.4 38.2 55.4 26.8 51.2 192 192 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.429 133.5 46.2 80.1 -0.8 54.0 24.9 54.2 193 193 A G E < S- I 0 190B 10 -3,-2.4 -3,-2.5 -5,-0.1 -1,-0.3 -0.410 92.5 -84.6-135.1-141.8 51.9 27.9 55.4 194 194 A V E -HI 157 189B 20 -37,-2.7 -37,-3.2 -5,-0.3 2,-0.3 -0.935 31.6-170.6-131.9 159.6 49.5 30.3 53.7 195 195 A R E - I 0 188B 53 -7,-2.5 -7,-2.4 -2,-0.3 -39,-0.1 -0.970 39.6 -78.8-143.2 161.1 50.0 33.6 51.9 196 196 A W E - I 0 187B 26 -41,-0.4 -9,-0.3 -2,-0.3 -42,-0.2 -0.265 32.3-153.8 -55.1 148.0 47.7 36.4 50.6 197 197 A S + 0 0 20 -11,-2.2 -10,-0.2 2,-0.1 2,-0.2 0.267 63.7 99.1-114.0 7.2 46.1 35.4 47.3 198 198 A W S S- 0 0 20 -12,-0.5 2,-0.7 1,-0.1 -135,-0.2 -0.501 94.9 -80.8 -82.7 170.2 45.6 38.9 45.9 199 199 A D > - 0 0 31 -137,-2.7 3,-2.3 -2,-0.2 4,-0.2 -0.597 34.2-150.1 -83.3 114.3 48.2 40.2 43.4 200 200 A A G > S+ 0 0 8 -2,-0.7 3,-1.9 1,-0.3 4,-0.3 0.743 89.5 73.3 -53.7 -27.9 51.3 41.4 45.3 201 201 A I G > S+ 0 0 6 1,-0.3 3,-0.8 -49,-0.2 -1,-0.3 0.746 87.0 64.4 -59.4 -24.3 52.1 43.9 42.6 202 202 A I G X S+ 0 0 1 -3,-2.3 3,-0.7 1,-0.2 -1,-0.3 0.573 76.1 87.2 -78.0 -8.6 49.2 46.1 43.8 203 203 A R G < S+ 0 0 115 -3,-1.9 2,-0.6 1,-0.3 -1,-0.2 0.815 87.7 51.1 -67.4 -24.3 50.8 46.8 47.1 204 204 A T G X> S+ 0 0 47 -3,-0.8 4,-1.4 -4,-0.3 3,-0.6 -0.456 71.7 160.1-102.6 63.5 52.7 49.8 45.7 205 205 A R H <>> + 0 0 109 -3,-0.7 5,-2.0 -2,-0.6 4,-0.5 0.766 63.5 64.8 -53.8 -33.8 49.5 51.3 44.2 206 206 A S H >45S+ 0 0 71 1,-0.2 3,-1.3 -3,-0.2 5,-0.2 0.948 104.0 44.1 -60.2 -49.1 51.1 54.8 44.0 207 207 A I H <45S+ 0 0 62 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.859 110.2 56.6 -65.5 -33.7 53.7 53.8 41.4 208 208 A L H 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -7,-0.1 -2,-0.2 0.561 113.2-120.4 -71.0 -9.3 51.1 51.8 39.4 209 209 A G T X<5S+ 0 0 32 -3,-1.3 3,-1.4 -4,-0.5 -132,-0.3 0.631 72.3 134.6 78.7 14.5 49.1 54.9 39.1 210 210 A L T 3 < + 0 0 0 -5,-2.0 -4,-0.2 1,-0.3 -5,-0.1 0.568 62.3 68.6 -74.1 -7.8 46.0 53.5 40.9 211 211 A N T 3 S+ 0 0 53 -6,-0.5 2,-0.3 -5,-0.2 -80,-0.3 0.350 101.0 55.1 -84.3 -2.2 45.7 56.7 43.0 212 212 A N S < S- 0 0 45 -3,-1.4 -135,-0.4 -82,-0.1 5,-0.1 -0.976 81.3-115.2-136.8 153.1 44.7 58.7 39.9 213 213 A L > - 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