==== 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 1GA6 . 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) . 13015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 69.8 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 . 26 7.0 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 0 105 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 171.2 40.9 8.5 36.1 2 3 A G - 0 0 41 212,-0.1 2,-0.4 204,-0.1 206,-0.2 0.000 360.0 -68.9 78.0-179.1 38.6 11.5 36.3 3 4 A T B -A 207 0A 77 204,-2.7 204,-2.1 2,-0.0 2,-0.6 -0.947 27.2-135.6-124.2 141.3 34.8 11.7 35.9 4 5 A A + 0 0 53 -2,-0.4 2,-0.3 202,-0.2 265,-0.1 -0.860 49.1 131.0 -90.1 116.2 32.4 11.2 33.0 5 6 A K - 0 0 97 -2,-0.6 200,-0.1 200,-0.5 2,-0.1 -0.965 57.4 -83.9-155.6 167.2 29.8 13.9 32.9 6 7 A G - 0 0 6 -2,-0.3 2,-0.4 263,-0.1 265,-0.2 -0.346 42.1-149.7 -72.7 160.0 28.2 16.4 30.6 7 8 A H B -i 271 0B 0 263,-2.5 265,-2.4 -2,-0.1 5,-0.0 -0.989 15.7-121.8-136.0 139.2 29.8 19.8 30.0 8 9 A N > - 0 0 45 -2,-0.4 3,-2.7 263,-0.2 4,-0.4 -0.577 34.4-119.8 -67.8 141.4 28.6 23.2 29.1 9 10 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.792 111.8 68.6 -53.4 -30.7 30.2 24.4 25.8 10 11 A T G 3 S+ 0 0 52 1,-0.3 4,-0.3 2,-0.1 76,-0.0 0.632 91.6 63.5 -65.9 -11.4 31.9 27.3 27.7 11 12 A E G X> S+ 0 0 50 -3,-2.7 4,-2.4 1,-0.2 3,-0.5 0.651 78.2 84.2 -80.0 -20.6 34.0 24.6 29.4 12 13 A F H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.4 6,-0.2 0.863 84.5 56.4 -60.3 -34.6 35.7 23.4 26.2 13 14 A P H 34>S+ 0 0 8 0, 0.0 5,-3.1 0, 0.0 6,-0.8 0.910 111.1 43.9 -59.9 -41.8 38.4 26.2 26.3 14 15 A T H X45S+ 0 0 80 -3,-0.5 3,-1.1 -4,-0.3 199,-0.4 0.937 113.7 51.0 -67.3 -41.3 39.5 25.1 29.8 15 16 A I H 3<5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.899 118.4 36.5 -60.2 -43.9 39.4 21.4 28.9 16 17 A Y T 3<5S- 0 0 0 -4,-2.5 341,-2.5 -5,-0.2 342,-0.3 0.138 113.9-110.2-102.8 21.2 41.5 21.9 25.7 17 18 A D T < 5S+ 0 0 62 -3,-1.1 341,-1.9 -4,-0.2 -3,-0.2 0.867 79.8 124.6 59.1 44.9 43.9 24.6 27.1 18 19 A A > < + 0 0 0 -5,-3.1 3,-1.8 339,-0.2 -4,-0.2 0.391 35.1 99.9-111.3 -2.3 42.5 27.4 25.0 19 20 A S T 3 S+ 0 0 68 -6,-0.8 -1,-0.1 1,-0.3 -5,-0.1 0.818 82.5 52.7 -56.7 -33.9 41.6 30.0 27.7 20 21 A S T 3 S+ 0 0 98 -7,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.522 95.7 87.6 -80.9 -8.1 44.9 31.9 27.2 21 22 A A S < S- 0 0 11 -3,-1.8 278,-0.1 1,-0.2 337,-0.1 -0.488 90.2 -92.9 -84.6 158.7 44.3 32.3 23.4 22 23 A P - 0 0 64 0, 0.0 280,-0.2 0, 0.0 -1,-0.2 -0.279 44.5-109.8 -56.1 157.8 42.3 35.1 21.7 23 24 A T - 0 0 47 69,-0.1 3,-0.5 278,-0.1 69,-0.2 -0.249 32.4-101.7 -73.8 176.8 38.7 34.4 21.1 24 25 A A E > S+b 95 0A 0 67,-1.4 3,-2.4 70,-1.1 72,-1.4 0.172 82.7 123.7 -86.9 23.9 37.4 33.9 17.5 25 26 A A E 3 S+ 0 0 42 70,-0.3 -1,-0.2 1,-0.3 70,-0.2 0.711 75.5 46.8 -58.2 -22.7 36.1 37.5 17.5 26 27 A N E 3 S+ 0 0 105 -3,-0.5 2,-0.4 271,-0.2 -1,-0.3 0.232 101.7 78.9-104.3 14.8 38.2 38.3 14.4 27 28 A T E < - 0 0 0 -3,-2.4 69,-2.1 99,-0.0 70,-0.6 -0.982 68.7-139.5-128.2 131.4 37.3 35.1 12.4 28 29 A T E -b 97 0A 8 -2,-0.4 99,-2.1 97,-0.3 100,-1.0 -0.734 23.1-162.6 -88.3 133.1 34.1 34.4 10.4 29 30 A V E -bc 98 128A 0 68,-2.5 70,-2.7 -2,-0.4 2,-0.3 -0.940 3.0-153.4-120.8 137.5 32.9 30.8 10.8 30 31 A G E -bc 99 129A 0 98,-2.7 100,-2.8 -2,-0.4 2,-0.4 -0.790 3.8-162.1-107.1 156.3 30.4 28.8 8.6 31 32 A I E -bc 100 130A 0 68,-2.6 70,-2.6 -2,-0.3 2,-0.5 -0.993 15.8-139.9-132.7 125.5 28.1 25.9 9.4 32 33 A I E +b 101 0A 0 98,-2.5 100,-0.4 -2,-0.4 2,-0.3 -0.745 30.2 178.0 -81.9 129.5 26.6 23.7 6.6 33 34 A T E -b 102 0A 0 68,-2.5 70,-2.6 -2,-0.5 2,-0.6 -0.873 33.2-129.4-128.0 161.3 23.0 22.9 7.3 34 35 A I E S-b 103 0A 16 -2,-0.3 39,-0.4 68,-0.2 70,-0.1 -0.963 82.0 -22.9-106.4 110.7 20.2 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 -0.285 105.5 -18.3 78.5-166.9 17.3 23.3 5.5 36 37 A G B -k 72 0C 1 35,-2.4 37,-0.5 66,-0.1 -2,-0.1 -0.071 34.5-153.8 -80.3 174.4 16.5 26.2 7.8 37 38 A V > + 0 0 3 33,-0.2 4,-2.4 35,-0.1 5,-0.2 -0.028 49.9 125.7-135.2 26.6 17.7 27.4 11.2 38 39 A S H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.951 84.4 37.8 -63.8 -47.3 14.9 29.4 12.6 39 40 A Q H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.932 112.8 60.0 -65.9 -40.8 14.6 27.5 15.8 40 41 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.873 102.0 52.8 -53.3 -40.5 18.4 27.1 16.0 41 42 A L H X S+ 0 0 47 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.852 109.4 48.3 -67.5 -32.0 18.8 30.9 16.1 42 43 A Q H X S+ 0 0 127 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.917 111.9 49.5 -69.3 -42.9 16.3 31.2 19.0 43 44 A D H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.847 108.4 54.5 -63.6 -32.6 18.2 28.4 20.8 44 45 A L H X S+ 0 0 5 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.889 107.4 49.3 -68.1 -39.9 21.5 30.3 20.1 45 46 A Q H X S+ 0 0 108 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.907 110.1 51.1 -63.4 -41.9 20.0 33.5 21.7 46 47 A Q H X S+ 0 0 63 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.936 111.9 49.5 -57.6 -47.0 19.0 31.3 24.7 47 48 A F H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 6,-0.2 0.948 114.4 40.8 -57.0 -56.9 22.6 30.0 24.8 48 49 A T H <>S+ 0 0 3 -4,-2.9 5,-2.5 1,-0.2 4,-0.4 0.944 118.1 47.7 -63.9 -41.3 24.4 33.4 24.6 49 50 A S H ><5S+ 0 0 70 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.941 111.3 49.2 -65.2 -45.1 22.0 35.0 27.0 50 51 A A H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.882 113.9 47.0 -61.6 -37.3 22.1 32.2 29.6 51 52 A N T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.418 112.6-119.7 -86.7 3.5 25.9 32.2 29.6 52 53 A G T < 5 + 0 0 68 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.2 0.753 61.9 150.6 68.1 23.5 26.0 36.0 29.8 53 54 A L < - 0 0 46 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.585 55.5 -96.7 -90.7 152.9 27.9 36.3 26.5 54 55 A A - 0 0 79 39,-0.2 -1,-0.1 -2,-0.2 -5,-0.0 -0.249 57.4 -91.7 -56.6 146.0 27.8 39.1 24.0 55 56 A S - 0 0 89 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.296 39.1-120.9 -65.3 149.1 25.3 38.4 21.3 56 57 A V - 0 0 22 -3,-0.1 2,-0.5 38,-0.1 40,-0.1 -0.813 15.8-129.4 -94.8 130.1 26.6 36.5 18.1 57 58 A N - 0 0 98 -2,-0.5 41,-2.6 38,-0.4 2,-0.3 -0.646 36.8-176.1 -74.0 123.9 26.2 38.2 14.7 58 59 A T E -d 98 0A 51 -2,-0.5 2,-0.3 39,-0.2 41,-0.2 -0.863 19.0-171.6-121.7 157.7 24.6 35.6 12.3 59 60 A Q E -d 99 0A 95 39,-2.0 41,-2.8 -2,-0.3 2,-0.4 -0.984 12.3-149.5-141.5 145.6 23.6 35.4 8.7 60 61 A T E -d 100 0A 69 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.941 13.3-159.8-114.9 137.3 21.6 32.7 6.9 61 62 A I E -d 101 0A 27 39,-2.9 41,-2.5 -2,-0.4 2,-0.9 -0.967 15.0-146.9-124.2 119.2 22.3 31.9 3.3 62 63 A Q E -d 102 0A 107 -2,-0.5 41,-0.1 1,-0.2 39,-0.1 -0.741 20.8-172.2 -78.1 107.7 19.9 30.2 0.9 63 64 A T + 0 0 3 39,-2.0 -1,-0.2 -2,-0.9 40,-0.1 0.637 59.0 33.8 -86.7 -11.9 22.5 28.4 -1.2 64 65 A G S S- 0 0 31 38,-0.3 -2,-0.1 1,-0.3 38,-0.0 -0.080 109.4 -13.2-113.7-148.2 20.3 27.0 -3.9 65 66 A S > - 0 0 61 1,-0.1 3,-1.7 -2,-0.1 -1,-0.3 -0.133 53.8-131.7 -51.3 139.1 17.2 28.1 -5.8 66 67 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.746 112.5 56.5 -68.1 -14.9 15.3 31.1 -4.4 67 68 A N T 3 S+ 0 0 145 2,-0.1 -1,-0.3 37,-0.0 -2,-0.1 0.326 90.1 117.8 -91.4 5.1 12.3 28.9 -4.8 68 69 A G S < S- 0 0 17 -3,-1.7 2,-0.8 1,-0.1 36,-0.0 -0.074 74.7 -99.3 -71.7 173.6 13.9 26.1 -2.7 69 70 A D + 0 0 61 1,-0.1 36,-2.4 2,-0.0 38,-0.1 -0.822 45.6 158.8 -99.4 104.0 12.7 24.7 0.6 70 71 A Y + 0 0 24 -2,-0.8 -33,-0.2 34,-0.2 -1,-0.1 0.010 27.8 137.8-112.1 25.3 14.6 26.2 3.5 71 72 A S - 0 0 66 1,-0.1 -35,-2.4 -36,-0.1 2,-0.3 -0.265 65.1 -87.7 -64.7 159.5 12.0 25.3 6.1 72 73 A D B -k 36 0C 44 -37,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.509 27.3-143.0 -70.2 132.6 13.3 24.0 9.4 73 74 A D > - 0 0 69 -37,-0.5 4,-1.6 -39,-0.4 -39,-0.1 -0.882 17.5-146.3 -87.2 120.6 13.9 20.3 9.7 74 75 A Q H >> S+ 0 0 146 -2,-0.6 3,-0.7 1,-0.2 4,-0.6 0.946 96.0 40.6 -64.5 -50.1 12.8 19.7 13.3 75 76 A Q H >> S+ 0 0 181 1,-0.2 3,-1.3 2,-0.2 4,-0.7 0.897 110.0 61.7 -60.6 -39.5 15.3 17.0 14.1 76 77 A G H >> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.828 88.4 70.9 -56.3 -33.9 18.0 18.9 12.2 77 78 A Q H S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.4 0.919 115.7 46.5 -65.5 -40.5 30.8 29.6 20.2 89 90 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 0.947 114.7 46.1 -61.1 -48.7 31.6 28.1 23.5 90 91 A S H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.847 106.0 61.6 -64.3 -32.6 34.9 26.6 22.2 91 92 A A T 3<5S- 0 0 0 -4,-2.4 -67,-1.4 -5,-0.2 -1,-0.3 0.456 124.8-101.1 -70.7 -1.9 35.8 29.9 20.6 92 93 A G T < 5S- 0 0 30 -3,-1.6 -3,-0.2 -69,-0.2 -2,-0.1 0.695 72.6 -57.7 84.7 19.3 35.8 31.6 24.0 93 94 A G S - 0 0 15 8,-0.3 3,-0.8 -2,-0.3 -34,-0.2 -0.555 21.7-154.3 -65.6 124.9 17.8 23.4 -0.4 105 106 A Q T 3 S+ 0 0 42 -36,-2.4 -1,-0.1 -2,-0.3 -35,-0.1 0.543 89.2 56.4 -81.5 -9.1 15.7 20.4 0.7 106 107 A S T 3 S+ 0 0 78 -37,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.376 80.4 110.5-106.0 5.1 13.8 20.1 -2.5 107 108 A A S < S- 0 0 31 -3,-0.8 5,-0.2 -38,-0.1 6,-0.1 -0.492 81.0 -91.8 -71.8 150.2 16.9 19.8 -4.7 108 109 A S S > S- 0 0 89 -2,-0.2 3,-2.5 3,-0.1 4,-0.3 -0.305 76.7 -39.1 -64.2 138.7 17.5 16.3 -6.3 109 110 A G T 3 S- 0 0 69 1,-0.3 3,-0.3 2,-0.1 4,-0.2 -0.096 122.4 -23.5 49.1-123.1 19.6 13.7 -4.5 110 111 A N T 3> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.301 107.9 106.3 -99.9 12.5 22.6 15.3 -2.8 111 112 A T H <> S+ 0 0 71 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.831 75.1 55.4 -67.2 -28.7 22.7 18.4 -5.1 112 113 A G H > S+ 0 0 5 -4,-0.3 4,-1.7 -3,-0.3 -8,-0.3 0.934 111.1 44.5 -64.7 -44.9 21.3 20.7 -2.4 113 114 A L H > S+ 0 0 5 258,-0.4 4,-2.3 2,-0.2 5,-0.2 0.935 111.8 52.5 -64.2 -43.5 24.1 19.8 -0.1 114 115 A T H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.920 108.3 51.2 -56.7 -43.2 26.7 20.1 -2.8 115 116 A Q H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.834 106.1 55.6 -65.4 -32.8 25.4 23.6 -3.6 116 117 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.943 110.6 44.4 -65.7 -45.5 25.8 24.5 0.1 117 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.941 113.3 52.2 -57.6 -45.8 29.4 23.5 0.1 118 119 A N H X S+ 0 0 62 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.895 107.4 51.0 -59.5 -43.2 29.9 25.3 -3.3 119 120 A Q H X S+ 0 0 48 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.896 108.4 51.6 -64.0 -41.8 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 0.887 115.5 42.3 -61.9 -37.8 30.7 28.6 1.1 121 122 A V H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.920 114.6 49.4 -74.9 -43.6 33.7 28.1 -1.2 122 123 A S H < S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.929 113.2 46.9 -61.3 -46.4 32.6 30.6 -3.8 123 124 A D H < S- 0 0 65 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.873 85.5-167.6 -63.2 -43.1 31.8 33.3 -1.3 124 125 A N < + 0 0 76 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.871 48.1 116.8 55.1 46.1 35.1 32.7 0.4 125 126 A V + 0 0 82 -5,-0.5 2,-0.4 1,-0.1 -97,-0.3 0.699 54.2 73.4-110.1 -32.6 34.2 34.7 3.5 126 127 A A - 0 0 1 -6,-0.4 -97,-0.2 1,-0.1 3,-0.1 -0.736 59.9-163.6 -83.7 130.7 34.3 32.0 6.2 127 128 A K S S+ 0 0 38 -99,-2.1 35,-2.5 -2,-0.4 2,-0.4 0.797 80.5 28.8 -78.7 -33.0 37.8 30.9 7.2 128 129 A V E S-ce 29 162A 0 -100,-1.0 -98,-2.7 33,-0.2 2,-0.4 -0.994 71.1-167.1-133.6 135.3 36.6 27.8 8.9 129 130 A I E -ce 30 163A 0 33,-2.6 35,-2.7 -2,-0.4 2,-0.4 -0.995 12.0-141.7-132.7 126.0 33.4 25.8 8.1 130 131 A N E -ce 31 164A 0 -100,-2.8 -98,-2.5 -2,-0.4 2,-0.4 -0.734 14.4-176.8 -88.5 138.2 31.8 23.0 10.1 131 132 A V E + e 0 165A 0 33,-2.5 35,-2.0 -2,-0.4 2,-1.2 -0.842 6.3 175.6-133.1 91.5 30.2 19.9 8.5 132 133 A S + 0 0 3 -100,-0.4 2,-0.3 -2,-0.4 154,-0.1 -0.441 53.8 97.5 -92.2 58.6 28.6 17.7 11.2 133 134 A L + 0 0 25 -2,-1.2 2,-0.3 33,-0.1 59,-0.2 -0.978 41.3 152.1-144.5 153.6 27.3 15.4 8.4 134 135 A G + 0 0 11 -2,-0.3 2,-0.3 57,-0.1 35,-0.1 -0.958 12.0 177.9-177.7 158.7 28.3 12.1 6.8 135 136 A W E -L 190 0D 2 55,-1.9 55,-3.1 -2,-0.3 40,-0.1 -0.966 55.0 -50.2-160.3 168.8 27.3 9.0 5.0 136 137 A a E >> -L 189 0D 8 38,-0.4 4,-1.9 -2,-0.3 3,-0.9 -0.141 44.2-144.3 -46.9 123.4 28.9 5.9 3.5 137 138 A E H 3> S+ 0 0 4 51,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.797 97.9 60.0 -64.7 -28.7 31.6 7.0 1.1 138 139 A A H 3> S+ 0 0 34 50,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.834 104.8 49.3 -69.5 -29.2 30.9 4.2 -1.3 139 140 A D H <> S+ 0 0 81 -3,-0.9 4,-1.3 2,-0.2 6,-0.3 0.916 111.3 49.3 -71.5 -45.7 27.3 5.5 -1.8 140 141 A A H <>S+ 0 0 0 -4,-1.9 6,-2.2 1,-0.2 5,-0.8 0.874 113.4 48.0 -59.9 -37.2 28.6 9.0 -2.4 141 142 A N H ><5S+ 0 0 42 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.920 105.8 57.0 -69.4 -42.2 31.1 7.6 -4.9 142 143 A A H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 112.1 39.9 -61.8 -34.2 28.4 5.5 -6.8 143 144 A D T 3<5S- 0 0 96 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.324 115.1-108.0-103.6 7.0 26.2 8.4 -7.6 144 145 A G T <>5S+ 0 0 34 -3,-1.3 4,-2.0 -4,-0.4 5,-0.2 0.356 87.4 117.4 85.7 -3.0 29.0 10.9 -8.4 145 146 A T H > S+ 0 0 6 -6,-2.2 4,-2.8 1,-0.2 5,-0.2 0.959 109.8 44.2 -56.0 -53.7 32.0 12.3 -4.0 147 148 A Q H > S+ 0 0 78 -7,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.914 114.6 48.7 -60.9 -43.1 33.7 13.5 -7.2 148 149 A A H X S+ 0 0 42 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.922 116.6 41.9 -63.5 -45.9 31.5 16.7 -7.4 149 150 A E H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.881 107.1 60.2 -73.1 -34.6 32.1 17.6 -3.8 150 151 A D H X S+ 0 0 24 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.873 101.1 56.0 -61.9 -35.9 35.8 16.8 -3.7 151 152 A R H X S+ 0 0 198 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.898 108.7 47.6 -60.2 -39.9 36.3 19.4 -6.4 152 153 A I H X S+ 0 0 17 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.925 112.3 47.8 -66.3 -48.9 34.7 22.0 -4.2 153 154 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.874 107.8 56.8 -63.1 -35.2 36.7 21.0 -1.1 154 155 A A H X S+ 0 0 40 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.918 107.5 48.0 -59.8 -44.5 39.9 21.1 -3.2 155 156 A T H X S+ 0 0 68 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.922 109.9 53.6 -61.3 -42.1 39.2 24.7 -4.1 156 157 A A H <>S+ 0 0 1 -4,-2.2 5,-2.5 1,-0.2 4,-0.5 0.951 109.6 46.8 -55.3 -52.4 38.5 25.5 -0.5 157 158 A A H ><5S+ 0 0 20 -4,-2.6 3,-1.4 1,-0.2 152,-0.6 0.925 110.8 52.4 -59.7 -41.9 41.9 24.1 0.6 158 159 A A H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.3 50.0 -65.0 -30.1 43.7 26.0 -2.2 159 160 A Q T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.449 122.8-104.9 -88.9 2.0 42.1 29.2 -1.1 160 161 A G T < 5S+ 0 0 11 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.613 72.5 140.4 87.6 14.1 43.1 28.7 2.6 161 162 A Q < - 0 0 1 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.675 43.6-141.3 -87.9 145.8 39.7 27.6 4.0 162 163 A T E -e 128 0A 0 -35,-2.5 -33,-2.6 -2,-0.3 2,-0.5 -0.927 12.1-167.7-106.3 111.2 39.4 24.9 6.6 163 164 A F E -e 129 0A 1 -2,-0.6 35,-3.0 33,-0.4 2,-0.4 -0.858 9.4-160.3 -86.9 129.5 36.4 22.5 6.3 164 165 A S E -ef 130 198A 0 -35,-2.7 -33,-2.5 -2,-0.5 2,-0.4 -0.961 9.9-171.4-111.9 129.0 36.1 20.4 9.4 165 166 A V E -ef 131 199A 0 33,-2.9 35,-2.8 -2,-0.4 -33,-0.2 -0.984 27.0-114.7-130.1 132.6 34.0 17.2 9.1 166 167 A S E - f 0 200A 5 -35,-2.0 26,-0.3 -2,-0.4 35,-0.2 -0.354 23.4-137.8 -58.1 136.4 32.8 14.7 11.7 167 168 A S - 0 0 1 33,-2.7 22,-0.6 1,-0.2 34,-0.1 0.670 56.3 -83.7 -75.3 -17.7 34.4 11.3 11.1 168 169 A G - 0 0 5 32,-0.3 65,-2.2 65,-0.1 -1,-0.2 -0.369 17.6-124.4 127.6 156.7 31.2 9.4 11.7 169 170 A D S S+ 0 0 22 63,-0.2 62,-1.1 -2,-0.1 63,-0.1 0.214 94.1 75.4-115.3 11.1 29.1 7.9 14.5 170 171 A E B > S-m 231 0E 2 1,-0.4 3,-2.2 60,-0.2 62,-0.2 0.090 85.8-139.4-111.7 12.4 29.0 4.3 13.3 171 172 A G T 3 S- 0 0 1 60,-2.6 -1,-0.4 1,-0.3 3,-0.4 -0.294 73.9 -24.1 52.8-142.2 32.5 3.2 14.2 172 173 A V T 3 S+ 0 0 0 161,-1.9 15,-2.4 1,-0.2 3,-0.3 0.478 129.6 79.0 -72.1 -3.4 33.9 1.0 11.5 173 174 A Y B X +o 187 0F 1 -3,-2.2 6,-2.1 1,-0.2 3,-1.1 -0.078 48.9 130.9-105.4 39.3 30.4 0.1 10.3 174 175 A E T 3> S+ 0 0 4 13,-0.6 4,-0.8 -3,-0.4 -38,-0.4 0.880 75.5 42.2 -57.5 -44.7 29.5 3.2 8.3 175 176 A a T 34 S+ 0 0 47 -3,-0.3 2,-1.3 2,-0.2 -1,-0.3 0.452 90.2 90.2 -88.3 -2.6 28.3 1.4 5.1 176 177 A N T <> S- 0 0 54 -3,-1.1 4,-2.4 1,-0.2 -1,-0.1 -0.653 127.4 -56.1 -94.8 75.2 26.4 -1.4 6.8 177 178 A N T 4 S- 0 0 126 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.9 -55.5 53.9 41.2 23.0 0.3 7.0 178 179 A R T < S- 0 0 109 -4,-0.8 -1,-0.2 1,-0.2 -4,-0.2 0.952 123.5 -13.6 57.6 61.3 24.6 3.2 8.9 179 180 A G T 4 S+ 0 0 0 -6,-2.1 50,-2.9 1,-0.3 -2,-0.2 0.551 81.3 144.1 104.6 11.2 26.2 1.4 11.8 180 181 A Y < - 0 0 75 -4,-2.4 -1,-0.3 -7,-0.4 48,-0.2 -0.623 63.1 -94.6 -80.0 136.1 25.0 -2.2 12.2 181 182 A P + 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.133 46.3 174.6 -51.0 136.9 27.8 -4.6 13.4 182 183 A D > - 0 0 58 1,-0.4 3,-2.2 3,-0.2 -2,-0.0 -0.029 33.0-127.2-142.2 34.6 29.4 -6.3 10.4 183 184 A G T 3 S- 0 0 25 1,-0.3 -1,-0.4 152,-0.1 152,-0.2 -0.290 83.2 -9.0 64.7-132.4 32.3 -8.3 11.7 184 185 A S T 3 S+ 0 0 85 154,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.350 103.9 112.3 -86.4 6.7 35.5 -7.6 10.0 185 186 A T < - 0 0 78 -3,-2.2 2,-0.3 -12,-0.0 -3,-0.2 -0.761 48.0-176.4 -90.5 108.8 33.9 -5.5 7.3 186 187 A Y + 0 0 75 -2,-0.8 2,-0.3 -13,-0.1 -13,-0.2 -0.839 9.4 163.0-114.1 146.4 35.1 -1.9 7.8 187 188 A S B -o 173 0F 24 -15,-2.4 -13,-0.6 -2,-0.3 47,-0.3 -0.904 21.0-131.6-153.0 172.0 34.2 1.3 5.9 188 189 A V - 0 0 4 -2,-0.3 -51,-2.5 -15,-0.1 -50,-0.3 -0.862 19.1-104.0-136.0 165.7 34.3 5.1 6.3 189 190 A S E > -L 136 0D 2 -22,-0.6 4,-1.5 -2,-0.3 -53,-0.2 -0.666 34.2-110.8 -93.4 142.4 32.2 8.3 6.0 190 191 A W E 4 S+L 135 0D 0 -55,-3.1 -55,-1.9 -2,-0.3 -51,-0.0 -0.897 96.3 24.5-103.1 139.0 32.1 11.0 3.3 191 192 A P T >4 S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.978 117.1 64.7 -91.3 9.8 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 0.827 95.4 62.4 -57.6 -32.0 35.4 13.0 6.2 193 194 A S T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 43,-0.1 44,-0.2 0.601 78.6 108.7 -76.3 -5.0 37.3 10.7 3.8 194 195 A S X - 0 0 0 -3,-1.9 3,-1.0 1,-0.1 5,-0.1 -0.445 67.3-143.9 -64.4 138.9 38.2 13.7 1.5 195 196 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 116,-0.1 0.531 96.8 68.8 -77.1 -3.6 41.9 14.7 1.7 196 197 A N T 3 S+ 0 0 34 2,-0.0 -33,-0.4 115,-0.0 2,-0.3 0.252 97.0 56.2 -99.4 10.3 40.7 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 -0.896 86.0-110.5-131.5 163.2 39.0 18.5 4.8 198 199 A I E -f 164 0A 0 -35,-3.0 -33,-2.9 -2,-0.3 2,-0.5 -0.882 33.2-147.6 -92.3 121.0 40.1 18.0 8.4 199 200 A A E -f 165 0A 0 -2,-0.6 61,-2.5 -35,-0.2 62,-1.5 -0.807 11.4-158.4 -91.8 129.5 38.4 14.8 9.6 200 201 A V E -fg 166 261A 0 -35,-2.8 -33,-2.7 -2,-0.5 -32,-0.3 -0.942 8.1-168.8-119.8 116.1 37.5 15.0 13.3 201 202 A G E - g 0 262A 0 60,-2.6 62,-2.1 -2,-0.5 2,-0.4 -0.132 20.9 -96.7 -92.5-169.9 37.0 11.8 15.4 202 203 A G E - g 0 263A 0 147,-0.6 17,-2.1 60,-0.3 2,-0.3 -0.917 26.4-173.7-129.8 141.6 35.6 11.2 18.8 203 204 A T E - H 0 218A 0 60,-1.9 62,-2.8 -2,-0.4 63,-2.2 -0.752 30.3-121.1-120.9 162.6 36.7 10.7 22.4 204 205 A T E - 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0 0 43 -106,-0.1 -7,-2.0 -2,-0.1 2,-0.4 -0.636 47.8-137.5 -89.7 151.6 40.5 -0.7 15.2 341 342 A N B -R 332 0I 117 -2,-0.3 7,-0.4 -9,-0.2 -9,-0.2 -0.846 15.7-118.9-107.4 143.9 42.3 -0.2 18.5 342 343 A A + 0 0 15 -11,-2.9 2,-0.3 -2,-0.4 -11,-0.2 -0.320 44.7 155.1 -68.6 161.4 43.8 3.0 19.8 343 344 A G - 0 0 25 -15,-0.7 2,-0.1 2,-0.4 -13,-0.1 -0.942 46.2 -35.4-168.0-171.9 47.5 3.0 20.5 344 345 A T S S- 0 0 120 -2,-0.3 2,-0.1 -15,-0.1 -15,-0.1 -0.402 108.1 -15.3 -63.7 133.3 50.6 5.1 20.8 345 346 A G S S+ 0 0 22 -2,-0.1 -2,-0.4 7,-0.1 2,-0.1 -0.372 123.0 8.8 72.1-154.2 50.6 8.0 18.3 346 347 A W S S+ 0 0 25 -2,-0.1 2,-0.3 -4,-0.1 6,-0.2 -0.403 72.5 171.9 -63.2 135.8 48.3 8.2 15.3 347 348 A D B > -S 351 0J 11 4,-1.4 4,-2.6 -88,-0.1 6,-0.2 -0.929 42.7-110.7-141.4 164.5 45.6 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 0.856 110.9 50.6 -70.4 -31.8 42.5 4.7 13.3 349 350 A P T 4 S+ 0 0 0 0, 0.0 -147,-0.6 0, 0.0 -1,-0.2 0.883 132.7 7.9 -69.0 -35.5 39.8 5.5 16.0 350 351 A T T >4 S- 0 0 0 1,-0.3 3,-2.0 -149,-0.1 -149,-0.2 0.416 81.3-147.8-131.1 -0.6 41.2 8.9 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 -0.426 81.0 -15.9 61.8-133.7 44.0 10.0 14.6 352 353 A W T 3 S- 0 0 21 -92,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.545 100.6-124.1 -76.5 -9.6 46.5 12.1 16.6 353 354 A G < - 0 0 0 -3,-2.0 -91,-2.1 -26,-0.2 -1,-0.3 -0.623 52.9 -23.9 93.8-158.8 44.1 12.7 19.5 354 355 A S E -Q 326 0H 0 -28,-1.4 -28,-2.4 -2,-0.2 2,-0.3 -0.572 64.8-112.5 -95.2 152.9 43.0 16.1 20.8 355 356 A L E -Q 325 0H 0 -30,-0.2 2,-0.8 -2,-0.2 -30,-0.2 -0.680 7.9-143.5 -83.6 140.1 44.9 19.4 20.5 356 357 A D > - 0 0 15 -32,-2.7 4,-2.5 -2,-0.3 5,-0.2 -0.882 24.8-160.4 -95.1 102.4 46.4 21.2 23.4 357 358 A I H > S+ 0 0 1 -341,-2.5 4,-2.9 -2,-0.8 -339,-0.2 0.891 80.5 48.1 -65.4 -45.1 45.6 24.7 22.1 358 359 A A H > S+ 0 0 22 -341,-1.9 4,-2.1 -342,-0.3 -1,-0.2 0.883 114.2 49.0 -66.1 -33.7 48.0 26.9 24.0 359 360 A K H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.924 112.5 47.7 -68.6 -41.7 50.9 24.6 23.2 360 361 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -36,-0.2 -2,-0.2 0.917 109.8 53.6 -62.1 -40.2 49.9 24.5 19.5 361 362 A S H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.930 108.4 49.0 -61.7 -43.4 49.6 28.3 19.6 362 363 A A H X S+ 0 0 34 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 110.4 51.9 -60.9 -42.6 53.2 28.6 21.0 363 364 A Y H X S+ 0 0 47 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.918 110.1 48.4 -57.9 -45.3 54.4 26.2 18.3 364 365 A I H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 107.9 54.4 -64.2 -41.3 52.8 28.3 15.6 365 366 A R H < S+ 0 0 176 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 118.4 36.2 -57.6 -39.0 54.3 31.5 17.0 366 367 A S H < S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 135.4 17.2 -79.0 -39.0 57.7 29.9 16.8 367 368 A N H < S- 0 0 103 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.489 93.4-127.7-119.3 -12.6 57.4 27.9 13.6 368 369 A G < 0 0 40 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.176 360.0 360.0 74.5 178.3 54.5 29.1 11.6 369 370 A F 0 0 49 -4,-0.1 -61,-0.3 -5,-0.0 -57,-0.0 -0.946 360.0 360.0-153.2 360.0 51.8 26.8 10.3 370 !* 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 Y 0 0 108 0, 0.0 -258,-0.4 0, 0.0 -259,-0.1 0.000 360.0 360.0 360.0 46.6 22.1 14.3 3.2 372 3 I X 0 0 62 -260,-0.1 -337,-0.1 -259,-0.1 -260,-0.1 0.686 360.0 360.0-176.9 360.0 19.4 15.3 3.2