==== 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 HYDROLASE/HYDROLASE INHIBITOR 29-NOV-00 1GA4 . COMPND 2 MOLECULE: SERINE-CARBOXYL PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR A.WLODAWER,M.LI,Z.DAUTER,A.GUSTCHINA,K.UCHIDA . 371 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.2 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 0 0 0 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 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 PARALLEL BRIDGES PER LADDER . 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 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 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 87 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 144.9 41.0 8.6 36.3 2 3 A G - 0 0 44 212,-0.1 2,-0.4 204,-0.1 206,-0.2 -0.042 360.0 -71.9 79.3 177.2 38.7 11.6 36.3 3 4 A T B -A 207 0A 75 204,-2.9 204,-2.0 2,-0.0 2,-0.6 -0.933 25.5-136.1-122.2 141.1 34.9 11.8 35.8 4 5 A A + 0 0 54 -2,-0.4 2,-0.3 202,-0.2 265,-0.1 -0.868 49.4 131.5 -92.4 115.7 32.6 11.2 32.9 5 6 A K - 0 0 96 -2,-0.6 200,-0.1 200,-0.5 2,-0.1 -0.963 57.1 -83.0-156.1 168.3 29.9 13.9 32.8 6 7 A G - 0 0 10 -2,-0.3 2,-0.4 263,-0.1 265,-0.2 -0.355 42.2-151.4 -72.8 158.0 28.2 16.4 30.6 7 8 A H B -i 271 0B 1 263,-2.5 265,-2.3 -2,-0.1 5,-0.0 -0.989 17.3-121.9-135.9 138.7 29.8 19.9 29.9 8 9 A N > - 0 0 50 -2,-0.4 3,-2.6 263,-0.2 4,-0.4 -0.585 35.2-120.4 -64.6 136.0 28.6 23.3 29.0 9 10 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.795 111.2 69.5 -51.3 -28.7 30.3 24.3 25.7 10 11 A T G 3 S+ 0 0 51 1,-0.3 4,-0.3 2,-0.1 76,-0.0 0.636 90.1 64.3 -67.8 -9.0 31.9 27.2 27.5 11 12 A E G <> S+ 0 0 52 -3,-2.6 4,-2.3 1,-0.2 3,-0.5 0.660 77.9 85.0 -80.2 -21.8 34.0 24.7 29.3 12 13 A F H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.4 -1,-0.2 0.876 83.8 56.3 -59.7 -35.9 35.8 23.5 26.1 13 14 A P H 4>S+ 0 0 7 0, 0.0 5,-3.1 0, 0.0 6,-0.8 0.916 110.5 45.6 -59.6 -41.2 38.5 26.2 26.2 14 15 A T H >45S+ 0 0 82 -3,-0.5 3,-1.2 -4,-0.3 199,-0.4 0.942 113.7 49.5 -61.3 -46.9 39.5 25.1 29.7 15 16 A I H 3<5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.889 118.1 37.7 -61.6 -41.9 39.5 21.5 28.8 16 17 A Y T 3<5S- 0 0 0 -4,-2.5 341,-2.4 -5,-0.2 342,-0.3 0.090 114.3-109.6-104.6 23.3 41.6 21.9 25.6 17 18 A D T < 5S+ 0 0 54 -3,-1.2 341,-2.1 339,-0.2 -3,-0.2 0.876 79.7 124.6 60.0 45.9 44.0 24.6 27.0 18 19 A A > < + 0 0 0 -5,-3.1 3,-1.8 339,-0.2 -4,-0.2 0.371 32.8 102.1-113.7 -0.7 42.7 27.5 24.9 19 20 A S T 3 S+ 0 0 76 -6,-0.8 -1,-0.1 1,-0.3 -5,-0.1 0.801 82.3 51.9 -58.3 -30.8 41.7 30.0 27.6 20 21 A S T 3 S+ 0 0 99 -7,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.500 94.6 88.6 -86.8 -4.1 44.9 32.1 27.0 21 22 A A S < S- 0 0 11 -3,-1.8 278,-0.1 1,-0.1 337,-0.1 -0.533 90.4 -93.8 -84.6 160.2 44.4 32.4 23.3 22 23 A P - 0 0 62 0, 0.0 280,-0.2 0, 0.0 -1,-0.1 -0.258 43.8-109.6 -59.1 157.4 42.3 35.1 21.6 23 24 A T - 0 0 48 69,-0.1 3,-0.5 278,-0.1 69,-0.2 -0.283 33.5-100.9 -74.1 175.2 38.7 34.4 21.0 24 25 A A E > S+b 95 0A 0 67,-1.4 3,-2.3 70,-1.2 72,-1.3 0.111 82.3 124.4 -85.8 26.5 37.5 34.0 17.4 25 26 A A E 3 S+ 0 0 41 70,-0.3 -1,-0.2 1,-0.3 70,-0.2 0.735 75.3 47.3 -59.8 -26.7 36.1 37.5 17.3 26 27 A N E 3 S+ 0 0 102 -3,-0.5 2,-0.4 271,-0.2 -1,-0.3 0.219 101.5 78.5-104.0 15.2 38.2 38.3 14.3 27 28 A T E < - 0 0 0 -3,-2.3 69,-2.2 99,-0.0 70,-0.6 -0.980 68.4-139.6-127.7 132.1 37.3 35.2 12.3 28 29 A T E -b 97 0A 8 -2,-0.4 99,-2.1 97,-0.3 100,-0.9 -0.734 23.1-163.7 -88.4 134.4 34.2 34.4 10.3 29 30 A V E -bc 98 128A 0 68,-2.5 70,-2.5 -2,-0.4 2,-0.3 -0.939 3.7-153.1-123.1 138.7 32.9 30.8 10.7 30 31 A G E -bc 99 129A 0 98,-2.7 100,-2.8 -2,-0.4 2,-0.4 -0.785 3.8-161.3-110.6 156.7 30.5 28.8 8.6 31 32 A I E -bc 100 130A 0 68,-2.5 70,-2.5 -2,-0.3 2,-0.5 -0.995 16.1-139.8-131.7 123.6 28.2 25.9 9.3 32 33 A I E +b 101 0A 0 98,-2.5 100,-0.4 -2,-0.4 2,-0.3 -0.760 30.9 179.0 -82.8 126.6 26.7 23.7 6.6 33 34 A T E -b 102 0A 0 68,-2.6 70,-2.5 -2,-0.5 2,-0.6 -0.884 33.2-129.5-124.2 163.1 23.1 22.9 7.3 34 35 A I E S-b 103 0A 49 -2,-0.3 39,-0.4 68,-0.2 70,-0.1 -0.965 81.7 -23.8-108.5 112.2 20.3 20.9 5.6 35 36 A G S S- 0 0 0 68,-2.0 37,-0.2 -2,-0.6 68,-0.2 -0.296 105.1 -19.3 78.1-167.2 17.3 23.2 5.5 36 37 A G B -k 72 0C 2 35,-2.2 37,-0.5 66,-0.1 -2,-0.1 -0.055 35.4-152.4 -81.0 174.7 16.6 26.2 7.8 37 38 A V > + 0 0 4 33,-0.2 4,-2.4 35,-0.1 5,-0.2 -0.029 50.1 126.2-135.2 27.5 17.8 27.3 11.1 38 39 A S H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.950 83.9 37.7 -64.0 -46.3 14.9 29.4 12.6 39 40 A Q H >> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.925 112.7 60.1 -69.7 -38.7 14.6 27.5 15.8 40 41 A T H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.862 101.9 52.7 -53.8 -40.9 18.4 27.1 16.0 41 42 A L H 3X S+ 0 0 49 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.859 109.5 48.6 -67.4 -31.4 18.8 30.9 16.0 42 43 A Q H S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 4,-0.4 0.942 118.1 48.7 -67.1 -41.8 24.5 33.4 24.6 49 50 A S H ><5S+ 0 0 68 -4,-2.6 3,-1.3 -5,-0.2 -1,-0.2 0.930 110.7 48.8 -63.2 -45.2 22.0 35.1 26.9 50 51 A A H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.872 113.4 48.3 -61.8 -35.2 22.1 32.3 29.6 51 52 A N T 3<5S- 0 0 44 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.401 113.4-118.7 -88.4 5.1 26.0 32.3 29.5 52 53 A G T < 5 + 0 0 68 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.755 63.9 146.5 69.9 24.0 26.1 36.1 29.8 53 54 A L < - 0 0 50 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.629 57.4 -96.9 -94.9 154.7 27.8 36.5 26.5 54 55 A A - 0 0 82 -2,-0.2 -1,-0.1 39,-0.2 -5,-0.0 -0.251 56.6 -93.7 -57.5 146.4 27.6 39.2 23.8 55 56 A S - 0 0 81 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.313 38.8-117.4 -65.9 152.7 25.2 38.2 21.1 56 57 A V - 0 0 22 -3,-0.1 2,-0.5 -12,-0.1 -1,-0.1 -0.755 17.6-126.7 -93.5 132.8 26.6 36.5 18.0 57 58 A N - 0 0 94 -2,-0.4 41,-2.5 38,-0.4 2,-0.3 -0.649 39.1-176.7 -74.4 122.3 26.2 38.1 14.6 58 59 A T E -d 98 0A 45 -2,-0.5 2,-0.3 39,-0.2 41,-0.2 -0.854 18.4-171.8-123.1 155.0 24.6 35.5 12.3 59 60 A Q E -d 99 0A 96 39,-1.9 41,-2.9 -2,-0.3 2,-0.4 -0.981 12.2-149.0-140.0 145.7 23.6 35.3 8.6 60 61 A T E -d 100 0A 62 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.948 13.0-159.9-115.4 137.0 21.6 32.7 6.9 61 62 A I E -d 101 0A 24 39,-3.0 41,-2.4 -2,-0.4 2,-0.8 -0.970 15.1-146.4-125.4 118.3 22.3 31.9 3.2 62 63 A Q E -d 102 0A 107 -2,-0.5 41,-0.1 1,-0.1 39,-0.1 -0.726 21.2-172.7 -76.7 110.7 20.0 30.2 0.8 63 64 A T + 0 0 3 39,-2.0 -1,-0.1 -2,-0.8 40,-0.1 0.642 59.1 30.4 -88.1 -11.0 22.5 28.3 -1.2 64 65 A G S S- 0 0 31 1,-0.4 -2,-0.0 38,-0.3 38,-0.0 -0.102 110.7 -7.4-121.0-145.7 20.3 26.9 -4.0 65 66 A S > - 0 0 67 1,-0.1 3,-2.4 -2,-0.1 -1,-0.4 -0.169 55.4-132.5 -51.0 135.6 17.2 27.9 -5.9 66 67 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.671 113.6 52.6 -66.7 -14.8 15.4 30.9 -4.4 67 68 A N T 3 S+ 0 0 140 2,-0.1 -1,-0.3 37,-0.0 -2,-0.1 0.188 90.6 118.0 -98.4 12.9 12.3 28.8 -4.7 68 69 A G S < S- 0 0 17 -3,-2.4 2,-0.8 1,-0.1 36,-0.0 -0.084 75.4 -95.5 -74.3 175.1 14.0 25.9 -2.8 69 70 A D + 0 0 61 1,-0.1 36,-2.4 2,-0.0 38,-0.1 -0.841 48.0 158.6 -99.1 107.2 12.8 24.5 0.6 70 71 A Y + 0 0 24 -2,-0.8 -33,-0.2 34,-0.2 -1,-0.1 -0.018 27.1 138.3-116.8 25.0 14.6 26.1 3.4 71 72 A S - 0 0 65 1,-0.1 -35,-2.2 -36,-0.1 2,-0.2 -0.254 65.5 -88.7 -60.4 155.2 12.0 25.2 6.1 72 73 A D B -k 36 0C 53 -37,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.484 28.9-141.4 -68.0 133.8 13.4 24.0 9.4 73 74 A D > - 0 0 52 -37,-0.5 4,-1.7 -39,-0.4 -39,-0.1 -0.889 16.2-145.7 -87.6 119.6 14.0 20.3 9.7 74 75 A Q H >> S+ 0 0 133 -2,-0.6 4,-0.6 1,-0.2 3,-0.6 0.937 97.0 40.4 -61.5 -50.1 12.9 19.7 13.3 75 76 A Q H >> S+ 0 0 152 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.869 110.5 62.2 -64.2 -34.1 15.5 16.9 14.1 76 77 A G H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.816 88.6 69.4 -60.0 -32.7 18.1 18.9 12.1 77 78 A Q H S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-0.4 0.924 115.5 46.7 -65.5 -39.4 30.8 29.6 20.0 89 90 A G H ><5S+ 0 0 1 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 0.947 114.2 46.6 -60.3 -48.5 31.7 28.1 23.4 90 91 A S H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.4 61.5 -63.3 -33.2 35.0 26.6 22.1 91 92 A A T 3<5S- 0 0 0 -4,-2.4 -67,-1.4 -5,-0.2 -1,-0.3 0.425 124.7-100.7 -70.3 -2.5 35.8 29.9 20.4 92 93 A G T < 5S- 0 0 31 -3,-1.7 -3,-0.2 -69,-0.2 -2,-0.1 0.649 72.8 -58.7 86.0 18.2 35.8 31.6 23.9 93 94 A G S - 0 0 15 8,-0.3 3,-0.6 -2,-0.3 -34,-0.2 -0.527 21.2-155.4 -66.4 126.5 17.8 23.3 -0.4 105 106 A Q T 3 S+ 0 0 57 -36,-2.4 -1,-0.1 -2,-0.3 -35,-0.1 0.516 87.8 57.7 -84.8 -6.2 15.8 20.3 0.7 106 107 A S T 3 S+ 0 0 78 -37,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.310 81.2 111.9-107.9 8.3 13.8 20.0 -2.5 107 108 A A S < S- 0 0 33 -3,-0.6 5,-0.1 -38,-0.1 2,-0.1 -0.431 78.3 -91.3 -78.0 155.1 16.9 19.6 -4.8 108 109 A S S > S- 0 0 89 -2,-0.1 3,-2.6 2,-0.1 4,-0.3 -0.357 78.7 -37.4 -67.3 140.7 17.5 16.3 -6.6 109 110 A G T 3 S- 0 0 75 1,-0.3 3,-0.3 2,-0.2 4,-0.2 -0.090 120.8 -26.4 50.2-130.0 19.8 13.8 -4.9 110 111 A N T 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.192 107.3 109.5 -99.8 17.4 22.6 15.2 -2.9 111 112 A T H <> S+ 0 0 67 -3,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.835 70.7 57.8 -69.7 -26.4 22.7 18.3 -5.1 112 113 A G H > S+ 0 0 7 -4,-0.3 4,-1.6 -3,-0.3 -8,-0.3 0.943 110.4 44.4 -62.6 -45.5 21.3 20.6 -2.4 113 114 A L H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 111.3 53.1 -65.6 -43.8 24.2 19.7 -0.1 114 115 A T H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.906 108.2 50.6 -56.4 -43.7 26.7 20.0 -2.9 115 116 A Q H X S+ 0 0 59 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.819 106.4 55.9 -65.6 -31.7 25.5 23.5 -3.7 116 117 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.944 110.3 44.3 -66.4 -45.5 25.8 24.4 0.0 117 118 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.935 113.2 53.2 -58.6 -46.3 29.5 23.4 0.0 118 119 A N H X S+ 0 0 62 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.904 107.0 50.3 -55.5 -45.3 29.9 25.3 -3.3 119 120 A Q H X S+ 0 0 47 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.903 108.2 52.4 -65.5 -41.0 28.4 28.5 -2.0 120 121 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 5,-0.5 0.884 115.4 41.6 -61.9 -38.6 30.7 28.5 1.0 121 122 A V H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.915 115.0 50.0 -73.2 -42.3 33.8 28.1 -1.2 122 123 A S H < S+ 0 0 83 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.925 113.0 45.6 -61.9 -45.7 32.6 30.5 -3.9 123 124 A D H < S- 0 0 64 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.892 85.9-167.3 -65.3 -40.6 31.8 33.2 -1.4 124 125 A N < + 0 0 74 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.884 48.2 117.5 52.6 47.1 35.2 32.6 0.4 125 126 A V + 0 0 82 -5,-0.5 2,-0.5 1,-0.1 -97,-0.3 0.716 54.1 73.3-109.8 -33.2 34.2 34.7 3.4 126 127 A A - 0 0 1 -6,-0.4 -97,-0.2 1,-0.1 3,-0.1 -0.714 60.0-163.6 -83.4 130.5 34.3 32.0 6.1 127 128 A K S S+ 0 0 40 -99,-2.1 35,-2.4 -2,-0.5 2,-0.4 0.811 80.3 28.3 -77.7 -30.7 37.8 30.9 7.1 128 129 A V E S-ce 29 162A 0 -100,-0.9 -98,-2.7 33,-0.2 2,-0.4 -0.993 70.9-166.7-134.9 133.9 36.6 27.7 8.9 129 130 A I E -ce 30 163A 0 33,-2.6 35,-2.8 -2,-0.4 2,-0.4 -0.994 12.2-140.8-131.4 127.5 33.5 25.8 8.0 130 131 A N E -ce 31 164A 0 -100,-2.8 -98,-2.5 -2,-0.4 2,-0.4 -0.728 15.1-177.5 -87.3 135.2 31.8 23.0 10.1 131 132 A V E + e 0 165A 0 33,-2.4 35,-2.1 -2,-0.4 2,-1.2 -0.843 6.4 175.0-132.2 92.3 30.3 19.9 8.5 132 133 A S + 0 0 0 -100,-0.4 240,-2.0 -2,-0.4 2,-0.3 -0.425 55.1 91.0 -94.9 60.8 28.7 17.7 11.1 133 134 A L + 0 0 7 -2,-1.2 2,-0.3 238,-0.3 59,-0.2 -0.966 41.7 137.9-149.3 154.7 27.4 15.3 8.4 134 135 A G - 0 0 6 -2,-0.3 2,-0.3 57,-0.1 55,-0.1 -0.929 17.4-167.5 171.6 171.4 28.3 12.2 6.5 135 136 A W E -L 190 0D 42 55,-1.9 55,-3.1 -2,-0.3 40,-0.1 -0.955 54.6 -43.5-163.4 168.1 27.4 8.9 5.0 136 137 A a E >> -L 189 0D 7 38,-0.4 4,-1.8 -2,-0.3 3,-0.8 -0.126 46.4-144.4 -43.2 120.5 29.0 5.8 3.4 137 138 A E H 3> S+ 0 0 4 51,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.806 97.9 59.8 -62.6 -29.8 31.7 7.0 1.1 138 139 A A H 3> S+ 0 0 34 50,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.827 104.9 48.8 -68.4 -31.1 30.9 4.2 -1.3 139 140 A D H <> S+ 0 0 95 -3,-0.8 4,-1.3 2,-0.2 6,-0.3 0.921 111.5 49.3 -71.2 -44.5 27.4 5.4 -1.8 140 141 A A H <>S+ 0 0 0 -4,-1.8 6,-2.2 1,-0.2 5,-0.9 0.869 113.3 49.1 -60.6 -37.3 28.7 9.0 -2.4 141 142 A N H ><5S+ 0 0 43 -4,-2.3 3,-1.4 4,-0.2 -1,-0.2 0.906 104.8 57.6 -67.1 -43.3 31.1 7.5 -4.9 142 143 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 112.3 37.9 -64.2 -30.9 28.5 5.4 -6.7 143 144 A D T 3<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.304 115.3-106.6-104.7 8.0 26.2 8.3 -7.7 144 145 A G T <>5S+ 0 0 33 -3,-1.4 4,-2.0 -4,-0.3 5,-0.2 0.374 86.2 119.1 85.6 -0.2 29.0 10.8 -8.4 145 146 A T H > S+ 0 0 5 -6,-2.2 4,-2.9 1,-0.2 5,-0.2 0.952 109.2 45.4 -55.9 -53.1 32.0 12.2 -4.1 147 148 A Q H > S+ 0 0 79 -7,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.922 114.6 48.1 -60.7 -42.0 33.7 13.5 -7.3 148 149 A A H X S+ 0 0 42 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.927 115.9 42.7 -64.7 -45.4 31.5 16.6 -7.4 149 150 A E H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.866 106.7 60.7 -73.0 -33.8 32.1 17.5 -3.8 150 151 A D H X S+ 0 0 26 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.876 100.2 56.9 -63.7 -34.5 35.8 16.8 -3.8 151 152 A R H X S+ 0 0 191 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.899 108.0 47.9 -57.5 -40.8 36.3 19.4 -6.5 152 153 A I H X S+ 0 0 17 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.938 112.0 47.6 -65.9 -48.5 34.7 22.0 -4.2 153 154 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.874 107.8 56.9 -64.2 -35.3 36.8 21.0 -1.2 154 155 A A H X S+ 0 0 40 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.923 107.4 48.3 -59.7 -41.5 40.0 21.1 -3.3 155 156 A T H X S+ 0 0 71 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.922 109.9 53.4 -64.3 -41.3 39.2 24.7 -4.2 156 157 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.952 108.8 47.5 -58.3 -49.6 38.6 25.4 -0.6 157 158 A A H ><5S+ 0 0 19 -4,-2.7 3,-1.5 1,-0.2 152,-0.6 0.904 109.7 53.5 -59.5 -40.7 41.9 24.1 0.5 158 159 A A H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.4 48.9 -65.2 -30.0 43.7 26.0 -2.3 159 160 A Q T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.451 122.3-105.3 -93.8 7.8 42.2 29.2 -1.1 160 161 A G T < 5S+ 0 0 10 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.620 71.6 140.1 86.8 12.9 43.1 28.6 2.5 161 162 A Q < - 0 0 1 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.702 43.2-141.2 -87.9 144.6 39.7 27.6 3.9 162 163 A T E -e 128 0A 0 -35,-2.4 -33,-2.6 -2,-0.3 2,-0.5 -0.927 11.3-166.3-107.3 110.0 39.5 24.8 6.5 163 164 A F E -e 129 0A 1 -2,-0.6 35,-3.0 33,-0.4 2,-0.4 -0.854 9.2-158.9 -85.8 130.4 36.5 22.5 6.2 164 165 A S E -ef 130 198A 0 -35,-2.8 -33,-2.4 -2,-0.5 2,-0.4 -0.955 11.3-171.9-110.4 125.9 36.1 20.4 9.4 165 166 A V E -ef 131 199A 0 33,-2.9 35,-2.7 -2,-0.4 -33,-0.2 -0.984 26.4-116.6-129.8 130.2 34.1 17.2 9.0 166 167 A S E - f 0 200A 0 -35,-2.1 26,-0.3 -2,-0.4 35,-0.2 -0.331 21.5-139.3 -56.8 137.4 32.9 14.7 11.6 167 168 A S - 0 0 1 33,-2.6 22,-0.6 1,-0.2 34,-0.1 0.681 55.5 -84.9 -78.1 -16.9 34.5 11.3 11.0 168 169 A G - 0 0 0 32,-0.3 65,-2.1 65,-0.1 -1,-0.2 -0.397 15.5-123.4 125.4 159.8 31.3 9.4 11.7 169 170 A D S S+ 0 0 6 63,-0.2 62,-1.1 -2,-0.1 63,-0.2 0.154 94.1 76.4-118.0 12.9 29.2 7.9 14.5 170 171 A E B > S-m 231 0E 1 1,-0.4 3,-2.3 60,-0.2 62,-0.2 0.164 84.4-141.4-113.9 13.4 29.1 4.3 13.2 171 172 A G T 3 S- 0 0 1 60,-2.5 3,-0.4 1,-0.3 -1,-0.4 -0.333 73.5 -23.2 48.7-139.9 32.6 3.2 14.2 172 173 A V T 3 S+ 0 0 0 161,-1.8 15,-2.3 1,-0.2 3,-0.3 0.469 129.7 77.6 -73.1 -1.5 34.1 1.0 11.4 173 174 A Y B X +o 187 0F 1 -3,-2.3 6,-2.3 1,-0.2 3,-1.1 -0.106 49.1 130.8-108.0 38.7 30.6 0.0 10.2 174 175 A E T 3> S+ 0 0 4 13,-0.6 4,-0.9 -3,-0.4 -38,-0.4 0.872 75.4 43.4 -56.1 -42.8 29.6 3.1 8.2 175 176 A a T 34 S+ 0 0 47 -3,-0.3 2,-1.3 2,-0.2 -1,-0.3 0.477 90.0 89.1 -89.0 -4.4 28.5 1.3 5.1 176 177 A N T <> S- 0 0 54 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 -0.651 128.2 -57.0 -94.7 78.5 26.5 -1.5 6.8 177 178 A N T 4 S- 0 0 129 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 105.8 -55.0 46.3 44.7 23.2 0.3 7.0 178 179 A R T < S- 0 0 83 -4,-0.9 -4,-0.2 1,-0.2 -1,-0.2 0.960 123.8 -13.0 57.7 59.5 24.8 3.1 8.9 179 180 A G T 4 S+ 0 0 0 -6,-2.3 50,-2.9 1,-0.3 -2,-0.2 0.573 80.1 144.5 105.4 15.0 26.4 1.3 11.8 180 181 A Y < - 0 0 76 -4,-2.6 -1,-0.3 -7,-0.4 48,-0.2 -0.671 62.7 -96.0 -81.2 135.5 25.2 -2.3 12.2 181 182 A P + 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.171 46.0 173.5 -51.3 136.6 28.0 -4.7 13.3 182 183 A D > - 0 0 62 1,-0.4 3,-2.1 3,-0.2 2,-0.1 -0.084 34.4-127.2-141.4 34.2 29.6 -6.4 10.3 183 184 A G T 3 S- 0 0 24 1,-0.3 -1,-0.4 152,-0.1 152,-0.2 -0.307 83.3 -7.1 62.3-129.5 32.5 -8.4 11.7 184 185 A S T 3 S+ 0 0 84 154,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.345 104.0 111.0 -87.3 6.2 35.7 -7.6 10.0 185 186 A T < - 0 0 78 -3,-2.1 2,-0.3 -12,-0.0 -3,-0.2 -0.777 48.6-177.0 -90.1 110.5 34.1 -5.5 7.2 186 187 A Y + 0 0 75 -2,-0.7 2,-0.3 -13,-0.1 -13,-0.2 -0.805 9.1 163.8-116.7 147.6 35.2 -1.9 7.8 187 188 A S B -o 173 0F 22 -15,-2.3 -13,-0.6 -2,-0.3 47,-0.3 -0.925 20.3-132.1-155.0 169.3 34.3 1.3 5.9 188 189 A V - 0 0 5 -2,-0.3 -51,-2.5 -15,-0.1 -50,-0.3 -0.855 19.3-103.7-134.6 166.5 34.4 5.1 6.3 189 190 A S E > -L 136 0D 0 -22,-0.6 4,-1.5 -2,-0.3 -53,-0.2 -0.661 33.9-109.6 -93.6 142.8 32.3 8.2 5.9 190 191 A W E 4 S+L 135 0D 0 -55,-3.1 -55,-1.9 -2,-0.3 -44,-0.0 -0.905 96.8 23.9-101.4 138.9 32.2 10.9 3.2 191 192 A P T >4 S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.979 116.6 65.0 -89.8 14.0 33.0 13.8 3.3 192 193 A A T 34 S+ 0 0 0 -26,-0.3 -2,-0.2 1,-0.3 5,-0.2 0.837 94.8 62.8 -59.4 -32.7 35.5 13.0 6.1 193 194 A S T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 43,-0.1 44,-0.2 0.605 78.5 109.8 -75.0 -5.2 37.5 10.7 3.7 194 195 A S X - 0 0 0 -3,-1.8 3,-1.0 1,-0.2 5,-0.1 -0.449 66.4-145.1 -64.5 137.6 38.3 13.7 1.5 195 196 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 116,-0.1 0.568 96.4 67.6 -77.1 -8.8 42.0 14.7 1.7 196 197 A N T 3 S+ 0 0 34 115,-0.0 -33,-0.4 2,-0.0 2,-0.3 0.331 97.9 56.8 -91.2 5.8 40.9 18.3 1.3 197 198 A V S < S- 0 0 0 -3,-1.0 2,-0.6 -5,-0.2 -33,-0.2 -0.898 85.8-110.7-133.1 163.4 39.1 18.5 4.7 198 199 A I E -f 164 0A 0 -35,-3.0 -33,-2.9 -2,-0.3 2,-0.5 -0.882 32.6-148.1 -92.9 119.6 40.1 18.0 8.3 199 200 A A E -f 165 0A 0 -2,-0.6 61,-2.6 -35,-0.2 62,-1.5 -0.812 10.8-157.7 -92.5 129.5 38.4 14.8 9.6 200 201 A V E -fg 166 261A 0 -35,-2.7 -33,-2.6 -2,-0.5 -32,-0.3 -0.935 8.3-168.6-119.3 114.5 37.6 15.0 13.3 201 202 A G E - g 0 262A 0 60,-2.8 62,-2.0 -2,-0.6 2,-0.4 -0.142 20.6 -96.4 -89.9-169.4 37.1 11.8 15.3 202 203 A G E - g 0 263A 0 147,-0.5 17,-2.1 60,-0.3 2,-0.3 -0.919 26.6-175.0-129.6 139.5 35.7 11.2 18.8 203 204 A T E - H 0 218A 0 60,-1.9 62,-2.9 -2,-0.4 63,-2.3 -0.756 31.2-120.9-120.0 163.9 36.8 10.7 22.3 204 205 A T E - 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0 0 44 -106,-0.1 -7,-1.9 -2,-0.1 2,-0.4 -0.632 48.2-136.7 -87.5 150.7 40.7 -0.7 15.1 341 342 A N B -R 332 0I 116 -2,-0.2 7,-0.4 -9,-0.2 -9,-0.3 -0.853 14.8-120.4-105.9 143.7 42.5 -0.1 18.4 342 343 A A + 0 0 13 -11,-2.9 2,-0.3 -2,-0.4 -11,-0.2 -0.301 44.4 153.3 -70.1 162.7 43.9 3.1 19.7 343 344 A G - 0 0 25 -15,-0.7 2,-0.1 2,-0.4 -13,-0.1 -0.954 47.1 -34.7-169.1-173.0 47.6 3.1 20.5 344 345 A T S S- 0 0 123 -2,-0.3 2,-0.1 -15,-0.1 -15,-0.1 -0.380 108.3 -14.2 -62.7 132.8 50.8 5.2 20.7 345 346 A G S S+ 0 0 22 -2,-0.1 -2,-0.4 7,-0.1 2,-0.1 -0.343 122.8 7.9 72.7-153.2 50.8 8.0 18.2 346 347 A W S S+ 0 0 26 -4,-0.1 2,-0.3 -2,-0.1 6,-0.2 -0.401 72.2 172.1 -64.2 135.0 48.4 8.2 15.3 347 348 A D B > -S 351 0J 10 4,-1.4 4,-2.6 -88,-0.1 6,-0.2 -0.939 42.6-110.8-139.7 164.9 45.7 5.5 15.3 348 349 A Y T 4 S+ 0 0 36 -7,-0.4 -113,-0.3 -2,-0.3 -6,-0.1 0.835 110.7 50.4 -70.2 -33.8 42.6 4.8 13.3 349 350 A P T 4 S+ 0 0 0 0, 0.0 -147,-0.5 0, 0.0 -1,-0.2 0.910 132.9 7.8 -65.6 -36.6 40.0 5.5 15.9 350 351 A T T >4 S- 0 0 0 1,-0.3 3,-2.0 -149,-0.1 -149,-0.2 0.397 81.5-148.3-129.7 -2.8 41.3 9.0 16.9 351 352 A G B 3< S-S 347 0J 0 -4,-2.6 -4,-1.4 1,-0.3 -1,-0.3 -0.439 80.4 -15.9 61.2-131.6 44.1 10.0 14.5 352 353 A W T 3 S- 0 0 20 -92,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.526 100.4-125.1 -78.2 -6.7 46.6 12.2 16.5 353 354 A G < - 0 0 0 -3,-2.0 -91,-2.1 -26,-0.2 -1,-0.3 -0.629 52.0 -22.8 92.9-159.2 44.2 12.8 19.4 354 355 A S E -Q 326 0H 0 -28,-1.5 -28,-2.4 -2,-0.2 2,-0.3 -0.576 64.8-112.9 -94.3 154.0 43.1 16.1 20.7 355 356 A L E -Q 325 0H 0 -30,-0.2 2,-0.9 -2,-0.2 -30,-0.2 -0.657 7.8-143.2 -85.6 138.8 45.0 19.4 20.4 356 357 A D > - 0 0 14 -32,-2.7 4,-2.5 -2,-0.3 5,-0.2 -0.881 23.9-160.9 -92.4 103.3 46.5 21.3 23.3 357 358 A I H > S+ 0 0 1 -341,-2.4 4,-3.0 -2,-0.9 -339,-0.2 0.878 80.4 48.7 -68.8 -43.8 45.7 24.7 21.9 358 359 A A H > S+ 0 0 23 -341,-2.1 4,-2.0 -342,-0.3 -1,-0.2 0.881 114.4 48.2 -63.8 -35.0 48.1 26.9 23.9 359 360 A K H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 112.5 48.0 -69.1 -39.7 50.9 24.6 23.1 360 361 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 -36,-0.2 -2,-0.2 0.918 109.9 53.7 -64.2 -41.1 50.0 24.6 19.4 361 362 A S H X S+ 0 0 28 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.922 108.5 48.4 -60.8 -42.1 49.7 28.4 19.4 362 363 A A H X S+ 0 0 56 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.895 110.2 52.4 -65.3 -39.2 53.2 28.7 20.8 363 364 A Y H X S+ 0 0 47 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.897 110.0 48.7 -57.8 -46.8 54.5 26.3 18.2 364 365 A I H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 107.8 54.1 -63.7 -41.3 52.8 28.4 15.5 365 366 A R H < S+ 0 0 223 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.891 118.4 36.4 -59.4 -37.3 54.3 31.6 16.9 366 367 A S H < S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.890 135.2 17.2 -80.0 -38.8 57.8 30.0 16.7 367 368 A N H < S- 0 0 102 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.500 93.5-129.5-115.3 -12.1 57.5 28.0 13.5 368 369 A G < 0 0 39 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.170 360.0 360.0 73.0-179.6 54.6 29.2 11.5 369 370 A F 0 0 55 -4,-0.1 -61,-0.3 -5,-0.0 -57,-0.0 -0.929 360.0 360.0-153.4 360.0 51.9 26.8 10.1 370 !* 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 0.0 371 2 I X 0 0 93 0, 0.0 -238,-0.3 0, 0.0 -85,-0.1 0.000 360.0 360.0 360.0 144.3 23.7 14.1 10.8 372 3 I X 0 0 6 -240,-2.0 -86,-2.4 -87,-0.1 -85,-0.4 0.507 360.0 360.0-118.6 360.0 26.6 13.1 13.0