==== 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 13-NOV-01 1KDZ . COMPND 2 MOLECULE: SERINE-CARBOXYL PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR A.WLODAWER,M.LI,A.GUSTCHINA,Z.DAUTER,K.UCHIDA,H.OYAMA,N.E.GL . 370 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.4 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 . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 24.3 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 1 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 4 A T 0 0 89 0, 0.0 204,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 138.6 35.2 12.0 35.8 2 5 A A + 0 0 52 202,-0.2 2,-0.3 200,-0.0 265,-0.1 -0.870 360.0 131.8 -94.2 116.3 32.9 11.5 32.9 3 6 A K - 0 0 97 -2,-0.6 200,-0.1 200,-0.5 2,-0.1 -0.970 57.0 -85.6-154.6 167.7 30.2 14.2 32.8 4 7 A G - 0 0 16 -2,-0.3 2,-0.4 263,-0.1 265,-0.2 -0.364 42.4-149.3 -76.6 161.2 28.5 16.6 30.5 5 8 A H B -a 269 0A 2 263,-2.5 265,-2.6 -2,-0.1 5,-0.0 -0.991 18.7-119.4-135.4 135.6 30.0 20.1 29.9 6 9 A N > - 0 0 54 -2,-0.4 3,-2.8 263,-0.2 4,-0.3 -0.566 36.2-123.5 -57.6 131.2 28.9 23.6 29.0 7 10 A P G > S+ 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.757 110.0 71.5 -56.8 -23.0 30.6 24.4 25.7 8 11 A T G 3 S+ 0 0 51 1,-0.2 4,-0.4 2,-0.1 -2,-0.0 0.612 89.4 64.0 -66.7 -10.3 32.0 27.4 27.3 9 12 A E G <> S+ 0 0 51 -3,-2.8 4,-2.2 1,-0.2 3,-0.3 0.636 77.5 85.3 -81.6 -18.0 34.3 24.9 29.2 10 13 A F H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 6,-0.2 0.872 82.7 57.8 -61.9 -35.1 36.0 23.6 26.1 11 14 A P H 4>S+ 0 0 9 0, 0.0 5,-3.1 0, 0.0 6,-0.6 0.944 110.5 43.2 -57.5 -45.1 38.7 26.4 26.1 12 15 A T H >45S+ 0 0 77 -4,-0.4 3,-0.9 -3,-0.3 199,-0.4 0.928 114.5 50.9 -66.3 -38.7 39.9 25.5 29.6 13 16 A I H 3<5S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.896 118.1 37.3 -64.7 -39.2 39.7 21.7 28.8 14 17 A Y T 3<5S- 0 0 0 -4,-2.7 341,-2.6 -5,-0.2 342,-0.3 0.135 115.5-110.2-105.4 22.2 41.8 22.1 25.6 15 18 A D T < 5S+ 0 0 57 -3,-0.9 341,-2.2 -4,-0.3 -3,-0.2 0.886 80.3 122.9 63.4 46.2 44.2 24.8 27.0 16 19 A A > < + 0 0 0 -5,-3.1 3,-1.6 339,-0.2 -4,-0.2 0.328 32.8 104.1-115.4 5.2 42.9 27.8 24.9 17 20 A S T 3 S+ 0 0 82 -6,-0.6 -5,-0.1 1,-0.3 -1,-0.1 0.774 83.1 51.7 -65.2 -26.4 41.9 30.2 27.7 18 21 A S T 3 S+ 0 0 95 -7,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.553 94.5 88.7 -90.1 -3.4 45.1 32.3 26.9 19 22 A A S < S- 0 0 11 -3,-1.6 278,-0.1 1,-0.1 337,-0.1 -0.524 89.5 -96.5 -83.6 157.7 44.5 32.6 23.2 20 23 A P - 0 0 67 0, 0.0 280,-0.2 0, 0.0 -1,-0.1 -0.283 42.8-105.6 -64.1 160.5 42.4 35.4 21.7 21 24 A T - 0 0 47 69,-0.1 3,-0.5 278,-0.1 69,-0.2 -0.264 34.2-103.5 -69.9 173.5 38.8 34.7 21.0 22 25 A A E > S+c 93 0B 0 67,-1.3 3,-2.4 70,-1.3 72,-1.3 0.070 81.1 126.5 -85.8 24.0 37.7 34.2 17.3 23 26 A A E 3 S+ 0 0 42 70,-0.3 -1,-0.2 1,-0.3 70,-0.2 0.728 74.8 47.2 -56.6 -21.3 36.3 37.7 17.3 24 27 A N E 3 S+ 0 0 106 -3,-0.5 2,-0.4 68,-0.2 -1,-0.3 0.278 101.4 78.4-103.6 11.8 38.4 38.4 14.2 25 28 A T E < - 0 0 0 -3,-2.4 69,-2.1 99,-0.0 70,-0.7 -0.977 68.3-139.9-124.7 131.9 37.5 35.3 12.2 26 29 A T E -c 95 0B 10 -2,-0.4 99,-2.0 97,-0.3 100,-0.9 -0.736 23.3-165.1 -89.6 134.9 34.4 34.4 10.2 27 30 A V E -cd 96 126B 0 68,-2.3 70,-2.6 -2,-0.4 2,-0.3 -0.950 3.4-152.7-122.0 140.0 33.2 30.8 10.6 28 31 A G E -cd 97 127B 0 98,-2.8 100,-2.9 -2,-0.4 2,-0.4 -0.801 4.2-160.5-109.9 155.4 30.7 28.8 8.5 29 32 A I E -cd 98 128B 0 68,-2.4 70,-2.4 -2,-0.3 2,-0.5 -0.993 15.8-139.6-130.9 124.5 28.4 25.9 9.3 30 33 A I E +c 99 0B 0 98,-2.5 100,-0.4 -2,-0.4 2,-0.3 -0.723 31.3 178.4 -80.5 126.2 26.9 23.7 6.6 31 34 A T E -c 100 0B 0 68,-2.6 70,-2.6 -2,-0.5 2,-0.6 -0.875 33.2-128.8-124.9 162.5 23.3 22.9 7.3 32 35 A I E S-c 101 0B 58 -2,-0.3 39,-0.4 68,-0.2 70,-0.1 -0.974 81.0 -25.2-106.4 112.9 20.5 20.9 5.6 33 36 A G S S- 0 0 0 68,-2.0 37,-0.2 -2,-0.6 68,-0.2 -0.315 105.8 -17.1 77.6-165.6 17.5 23.3 5.5 34 37 A G B -j 70 0C 3 35,-2.0 37,-0.5 66,-0.1 -2,-0.1 -0.074 35.0-155.1 -82.7 169.6 16.8 26.2 7.8 35 38 A V > + 0 0 4 33,-0.2 4,-2.3 35,-0.1 5,-0.2 -0.038 49.6 125.9-134.7 27.8 18.0 27.3 11.2 36 39 A S H > S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.949 83.5 39.1 -60.5 -48.2 15.2 29.5 12.6 37 40 A Q H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.921 112.4 58.9 -66.4 -40.1 14.8 27.6 15.8 38 41 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.872 102.4 53.2 -54.1 -40.4 18.6 27.2 16.0 39 42 A L H X S+ 0 0 46 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.860 109.3 48.6 -67.1 -33.6 19.0 31.0 16.0 40 43 A Q H X S+ 0 0 126 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.914 112.1 49.2 -69.0 -40.7 16.5 31.3 18.9 41 44 A D H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.849 108.7 53.8 -64.1 -34.7 18.5 28.6 20.8 42 45 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.902 107.0 50.6 -70.4 -37.1 21.7 30.5 20.0 43 46 A Q H X S+ 0 0 100 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.917 110.3 50.0 -59.7 -44.8 20.2 33.6 21.6 44 47 A Q H X S+ 0 0 64 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.935 111.5 50.7 -58.8 -47.4 19.3 31.6 24.7 45 48 A F H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 6,-0.2 0.955 114.4 39.6 -58.1 -53.2 22.9 30.3 24.7 46 49 A T H <>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-0.4 0.949 118.6 48.5 -68.5 -37.7 24.7 33.6 24.6 47 50 A S H ><5S+ 0 0 69 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.941 111.0 49.3 -65.9 -44.3 22.2 35.3 26.9 48 51 A A H 3<5S+ 0 0 61 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.8 46.9 -62.4 -37.6 22.3 32.5 29.5 49 52 A N T 3<5S- 0 0 48 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.417 113.4-118.2 -86.0 4.9 26.1 32.6 29.5 50 53 A G T < 5 + 0 0 69 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.772 64.0 146.1 68.4 26.6 26.2 36.4 29.7 51 54 A L < - 0 0 54 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.631 57.9 -98.7 -97.8 152.9 28.0 36.8 26.4 52 55 A A - 0 0 85 -2,-0.3 -1,-0.1 1,-0.1 -5,-0.0 -0.297 57.0 -93.5 -55.0 147.1 27.7 39.5 23.8 53 56 A S - 0 0 83 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.256 38.1-116.5 -67.6 157.3 25.4 38.4 21.0 54 57 A V - 0 0 22 -3,-0.1 2,-0.5 -12,-0.1 -1,-0.1 -0.804 18.5-125.2 -98.1 130.7 26.7 36.7 18.0 55 58 A N - 0 0 92 -2,-0.5 41,-2.8 38,-0.4 2,-0.3 -0.650 38.8-176.4 -70.8 120.0 26.4 38.2 14.5 56 59 A T E -e 96 0B 46 -2,-0.5 2,-0.3 39,-0.2 41,-0.2 -0.860 18.6-172.4-119.8 153.4 24.8 35.6 12.2 57 60 A Q E -e 97 0B 93 39,-2.2 41,-2.6 -2,-0.3 2,-0.4 -0.988 12.5-149.6-135.4 145.4 23.8 35.4 8.6 58 61 A T E -e 98 0B 70 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.953 13.1-158.8-112.2 138.2 21.8 32.7 6.8 59 62 A I E -e 99 0B 29 39,-3.2 41,-2.5 -2,-0.4 2,-0.9 -0.974 14.6-146.7-120.9 121.6 22.6 31.9 3.2 60 63 A Q E -e 100 0B 105 -2,-0.5 41,-0.1 1,-0.1 39,-0.1 -0.755 21.9-171.3 -79.8 106.9 20.2 30.2 0.8 61 64 A T + 0 0 6 39,-1.9 -1,-0.1 -2,-0.9 40,-0.1 0.639 59.0 27.9 -86.7 -10.5 22.8 28.3 -1.2 62 65 A G S S- 0 0 25 1,-0.4 -2,-0.1 38,-0.3 48,-0.0 -0.062 111.6 -3.7-118.5-137.6 20.7 26.9 -4.1 63 66 A S > - 0 0 60 1,-0.2 3,-1.4 2,-0.1 -1,-0.4 -0.170 55.3-131.9 -53.7 144.4 17.5 28.0 -5.9 64 67 A S T 3 S+ 0 0 99 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.709 113.3 53.3 -64.9 -18.5 15.7 31.1 -4.5 65 68 A N T 3 S+ 0 0 151 2,-0.1 -1,-0.2 37,-0.0 -2,-0.1 0.262 88.0 114.7 -98.6 8.2 12.7 28.7 -4.8 66 69 A G S < S- 0 0 17 -3,-1.4 2,-0.9 1,-0.1 36,-0.0 -0.081 76.2 -92.5 -76.5 176.0 14.1 25.8 -2.8 67 70 A D + 0 0 64 1,-0.1 36,-2.5 2,-0.0 38,-0.1 -0.803 48.0 158.6 -95.2 101.1 13.0 24.4 0.5 68 71 A Y + 0 0 24 -2,-0.9 -33,-0.2 34,-0.2 -1,-0.1 -0.039 27.6 137.7-110.7 28.3 14.9 26.0 3.4 69 72 A S - 0 0 64 -36,-0.1 -35,-2.0 1,-0.1 2,-0.2 -0.272 65.1 -87.2 -64.3 157.5 12.3 25.2 6.1 70 73 A D B -j 34 0C 53 -37,-0.2 2,-0.6 -35,-0.0 -1,-0.1 -0.502 28.8-144.0 -67.2 132.2 13.6 23.9 9.4 71 74 A D > - 0 0 63 -37,-0.5 4,-1.7 -39,-0.4 -39,-0.1 -0.891 15.6-145.9 -88.0 122.2 14.2 20.2 9.8 72 75 A Q H >> S+ 0 0 131 -2,-0.6 4,-0.7 1,-0.2 3,-0.6 0.947 97.1 40.6 -63.0 -48.6 13.2 19.6 13.4 73 76 A Q H >> S+ 0 0 171 1,-0.3 3,-1.0 2,-0.2 4,-0.8 0.897 110.0 62.6 -64.7 -34.1 15.8 17.0 14.1 74 77 A G H >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.855 88.8 69.1 -57.4 -34.5 18.3 19.0 12.2 75 78 A Q H S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 6,-0.4 0.935 115.9 47.4 -67.3 -40.2 31.0 29.8 19.9 87 90 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 0.946 114.2 46.1 -61.4 -47.3 31.9 28.2 23.3 88 91 A S H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 105.7 61.5 -65.8 -30.7 35.2 26.8 22.0 89 92 A A T 3<5S- 0 0 0 -4,-2.4 -67,-1.3 -5,-0.2 3,-0.3 0.423 125.6 -99.9 -72.8 -1.5 36.0 30.1 20.4 90 93 A G T < 5S- 0 0 31 -3,-1.6 -3,-0.2 -69,-0.2 -2,-0.1 0.653 72.9 -59.7 88.2 13.5 36.0 31.8 23.8 91 94 A G S - 0 0 13 8,-0.3 3,-0.6 -2,-0.3 -34,-0.2 -0.560 21.7-157.0 -64.7 128.8 18.1 23.3 -0.4 103 106 A Q T 3 S+ 0 0 61 -36,-2.5 -1,-0.1 -2,-0.2 -35,-0.1 0.479 87.7 58.7 -85.9 -4.6 16.0 20.3 0.7 104 107 A S T 3 S+ 0 0 74 -37,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.272 81.9 112.2-105.9 7.3 14.0 20.1 -2.5 105 108 A A S < S- 0 0 29 -3,-0.6 5,-0.2 -38,-0.1 6,-0.1 -0.458 76.0 -93.8 -83.1 152.3 17.0 19.7 -4.8 106 109 A S S > S- 0 0 92 -2,-0.1 3,-2.4 2,-0.1 4,-0.3 -0.368 78.7 -33.2 -71.9 145.4 17.7 16.4 -6.7 107 110 A G T 3 S- 0 0 74 1,-0.3 3,-0.3 2,-0.1 4,-0.2 -0.153 121.1 -30.3 50.4-131.4 20.0 13.7 -5.3 108 111 A N T 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.197 106.8 111.0-101.1 15.4 22.8 15.2 -3.2 109 112 A T H <> + 0 0 54 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 0.810 69.4 59.1 -67.2 -25.9 22.9 18.4 -5.2 110 113 A G H > S+ 0 0 4 -3,-0.3 4,-1.6 -4,-0.3 -8,-0.3 0.964 110.0 43.6 -64.8 -44.9 21.5 20.6 -2.4 111 114 A L H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 112.7 52.3 -63.8 -44.8 24.4 19.6 -0.1 112 115 A T H X S+ 0 0 25 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.934 108.6 50.3 -57.6 -46.0 27.0 20.0 -2.9 113 116 A Q H X S+ 0 0 70 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.818 106.3 56.6 -63.3 -30.7 25.7 23.5 -3.7 114 117 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.949 110.3 43.5 -66.2 -46.5 26.0 24.4 0.0 115 118 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.940 113.7 52.9 -57.1 -43.7 29.7 23.4 -0.0 116 119 A N H X S+ 0 0 80 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.908 107.0 50.9 -62.5 -41.0 30.2 25.2 -3.3 117 120 A Q H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.918 107.7 52.4 -65.2 -40.9 28.7 28.5 -2.1 118 121 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 5,-0.5 0.892 115.6 42.0 -62.1 -37.6 30.9 28.6 1.0 119 122 A V H < S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.912 114.5 49.4 -76.6 -42.1 33.9 28.1 -1.3 120 123 A S H < S+ 0 0 83 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.933 113.4 46.3 -65.2 -40.9 32.8 30.6 -4.0 121 124 A D H < S- 0 0 61 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.907 86.1-167.7 -67.4 -38.6 32.0 33.3 -1.4 122 125 A N < + 0 0 74 -4,-1.5 -3,-0.1 -5,-0.3 -4,-0.1 0.894 48.4 115.9 53.5 45.8 35.4 32.7 0.3 123 126 A V + 0 0 83 -5,-0.5 2,-0.5 1,-0.1 -97,-0.3 0.725 53.8 74.0-111.9 -31.6 34.5 34.7 3.4 124 127 A A - 0 0 1 -6,-0.3 -97,-0.2 1,-0.1 3,-0.1 -0.701 60.2-163.4 -82.2 127.8 34.5 32.0 6.1 125 128 A K S S+ 0 0 40 -99,-2.0 35,-2.4 -2,-0.5 2,-0.4 0.833 80.0 28.4 -76.0 -30.9 38.0 31.0 7.0 126 129 A V E S-df 27 160B 0 -100,-0.9 -98,-2.8 33,-0.2 2,-0.4 -0.986 71.4-165.7-135.2 133.3 36.8 27.8 8.8 127 130 A I E -df 28 161B 0 33,-2.5 35,-2.6 -2,-0.4 2,-0.3 -0.998 12.4-139.5-129.5 126.3 33.7 25.8 7.9 128 131 A N E -df 29 162B 0 -100,-2.9 -98,-2.5 -2,-0.4 2,-0.4 -0.671 16.3-178.4 -86.2 136.6 32.0 23.1 10.0 129 132 A V E + f 0 163B 0 33,-2.2 35,-2.1 -2,-0.3 2,-1.1 -0.807 4.9 174.8-131.5 90.9 30.5 19.9 8.5 130 133 A S + 0 0 0 -100,-0.4 241,-2.1 -2,-0.4 2,-0.3 -0.367 57.1 72.9 -93.0 57.0 29.0 17.7 11.2 131 134 A L B +K 370 0D 4 -2,-1.1 2,-0.3 239,-0.2 239,-0.2 -0.968 45.3 142.5-159.0 167.8 27.6 15.1 8.7 132 135 A G - 0 0 0 237,-1.8 2,-0.3 -2,-0.3 33,-0.1 -0.968 20.5-149.3 172.4 177.5 28.5 12.4 6.3 133 136 A W E -L 188 0E 27 55,-2.1 55,-3.2 -2,-0.3 40,-0.1 -0.956 52.4 -46.8-161.8 173.4 27.6 9.0 4.8 134 137 A a E >> -L 187 0E 7 38,-0.4 4,-1.9 -2,-0.3 3,-0.9 -0.190 47.0-142.8 -48.7 122.7 29.2 5.9 3.4 135 138 A E H 3> S+ 0 0 4 51,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.816 98.7 60.0 -64.3 -26.7 32.0 7.0 1.0 136 139 A A H 3> S+ 0 0 36 50,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.828 105.8 48.4 -69.5 -30.2 31.2 4.1 -1.4 137 140 A D H <> S+ 0 0 92 -3,-0.9 4,-1.3 2,-0.2 6,-0.3 0.915 110.9 49.3 -72.1 -45.5 27.7 5.4 -1.8 138 141 A A H <>S+ 0 0 0 -4,-1.9 6,-2.0 1,-0.2 5,-0.9 0.894 113.5 49.5 -60.0 -36.4 29.0 9.0 -2.4 139 142 A N H ><5S+ 0 0 64 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.916 104.0 57.9 -68.3 -41.8 31.4 7.4 -4.9 140 143 A A H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 111.9 38.7 -64.1 -30.4 28.7 5.4 -6.8 141 144 A D T 3<5S- 0 0 97 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.358 114.4-107.8-107.2 8.7 26.6 8.3 -7.7 142 145 A G T <>5S+ 0 0 36 -3,-1.2 4,-2.1 -4,-0.3 5,-0.2 0.440 86.1 118.8 85.6 -0.5 29.3 10.8 -8.5 143 146 A T H > S+ 0 0 11 -6,-2.0 4,-2.7 1,-0.2 5,-0.2 0.949 109.5 45.7 -58.5 -51.7 32.3 12.2 -4.1 145 148 A Q H > S+ 0 0 116 -7,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.913 114.9 47.5 -61.5 -43.7 34.0 13.4 -7.3 146 149 A A H X S+ 0 0 42 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.920 116.3 42.7 -64.0 -44.6 31.8 16.6 -7.5 147 150 A E H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 3,-0.3 0.877 106.5 61.1 -74.0 -32.2 32.3 17.6 -3.9 148 151 A D H X S+ 0 0 24 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.892 100.0 56.5 -62.8 -37.3 36.1 16.8 -3.9 149 152 A R H X S+ 0 0 148 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.912 108.0 48.2 -57.2 -40.5 36.6 19.4 -6.6 150 153 A I H X S+ 0 0 18 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.944 111.6 48.2 -67.7 -45.5 35.0 22.0 -4.3 151 154 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.872 108.0 56.4 -64.0 -36.2 37.1 21.0 -1.3 152 155 A A H X S+ 0 0 41 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.925 107.8 47.7 -61.1 -42.1 40.2 21.1 -3.4 153 156 A T H X S+ 0 0 70 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.925 110.1 53.4 -64.1 -41.1 39.4 24.7 -4.3 154 157 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.942 109.4 47.4 -55.9 -51.7 38.8 25.5 -0.6 155 158 A A H ><5S+ 0 0 20 -4,-2.7 3,-1.4 1,-0.2 152,-0.6 0.908 109.4 53.7 -60.4 -40.7 42.2 24.2 0.4 156 159 A A H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.6 48.9 -64.3 -31.0 44.0 26.1 -2.4 157 160 A Q T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.423 122.5-103.8 -95.9 7.0 42.4 29.3 -1.2 158 161 A G T < 5S+ 0 0 10 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.581 72.4 140.0 91.9 11.7 43.3 28.8 2.4 159 162 A Q < - 0 0 1 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.658 42.5-142.9 -88.3 142.9 40.0 27.7 3.8 160 163 A T E -f 126 0B 0 -35,-2.4 -33,-2.5 -2,-0.3 2,-0.5 -0.927 10.2-166.4-105.0 112.3 39.7 24.9 6.4 161 164 A F E -f 127 0B 1 -2,-0.6 35,-3.1 33,-0.4 2,-0.5 -0.863 9.9-158.0 -87.9 131.4 36.7 22.5 6.1 162 165 A S E -fg 128 196B 0 -35,-2.6 -33,-2.2 -2,-0.5 2,-0.4 -0.963 11.7-170.0-109.1 126.2 36.4 20.5 9.3 163 166 A V E -fg 129 197B 0 33,-3.0 35,-2.7 -2,-0.5 -33,-0.2 -0.979 24.1-120.6-129.1 125.8 34.4 17.2 8.9 164 167 A S E - g 0 198B 0 -35,-2.1 26,-0.3 -2,-0.4 35,-0.2 -0.354 20.1-139.8 -55.5 134.5 33.1 14.8 11.5 165 168 A S - 0 0 1 33,-2.6 22,-0.6 1,-0.2 34,-0.1 0.666 53.3 -88.5 -76.8 -16.4 34.6 11.3 10.9 166 169 A G - 0 0 0 32,-0.3 65,-2.3 65,-0.2 -1,-0.2 -0.376 15.8-118.9 123.5 161.4 31.4 9.4 11.7 167 170 A D S S+ 0 0 7 63,-0.2 62,-1.3 -2,-0.1 63,-0.1 0.194 94.5 75.8-117.6 10.8 29.4 7.9 14.6 168 171 A E B > S-m 229 0F 1 1,-0.4 3,-2.3 60,-0.2 62,-0.2 0.108 85.1-139.2-114.3 15.3 29.4 4.2 13.4 169 172 A G T 3 S- 0 0 1 60,-2.5 -1,-0.4 1,-0.3 63,-0.4 -0.362 74.8 -20.7 52.7-138.8 33.0 3.2 14.2 170 173 A V T 3 S+ 0 0 0 161,-1.8 15,-2.3 1,-0.2 2,-0.5 0.484 128.4 79.6 -72.4 -6.5 34.4 1.0 11.5 171 174 A Y B X +o 185 0G 1 -3,-2.3 6,-2.2 1,-0.2 3,-0.6 -0.261 47.3 131.9-105.1 50.5 30.9 0.1 10.3 172 175 A E T 3 S+ 0 0 6 13,-0.6 4,-0.4 -2,-0.5 -38,-0.4 0.872 76.8 41.1 -69.9 -35.4 29.9 3.2 8.2 173 176 A a T 3 S+ 0 0 51 -3,-0.3 2,-1.1 1,-0.1 -1,-0.2 0.482 92.3 92.2 -94.3 -2.2 28.7 1.3 5.1 174 177 A N S <> S- 0 0 51 -3,-0.6 4,-2.4 1,-0.2 -1,-0.1 -0.663 121.9 -61.3 -96.2 78.3 26.8 -1.5 7.0 175 178 A N T 4 S- 0 0 123 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.861 104.4 -55.5 51.5 32.9 23.3 -0.2 7.4 176 179 A R T 4 S- 0 0 94 -4,-0.4 -1,-0.2 1,-0.1 -4,-0.2 0.999 120.9 -16.7 66.2 65.7 24.7 2.7 9.4 177 180 A G T 4 S+ 0 0 0 -6,-2.2 50,-2.7 1,-0.3 -2,-0.2 0.543 82.2 145.5 97.7 3.5 26.6 1.1 12.2 178 181 A Y < - 0 0 76 -4,-2.4 -1,-0.3 -7,-0.3 48,-0.2 -0.656 61.5 -97.6 -76.7 133.2 25.5 -2.5 12.5 179 182 A P + 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.145 44.3 175.4 -49.7 136.5 28.4 -4.8 13.5 180 183 A D > - 0 0 59 1,-0.4 3,-2.2 3,-0.2 -2,-0.0 -0.143 34.9-124.1-144.7 36.5 29.9 -6.5 10.5 181 184 A G T 3 S- 0 0 22 1,-0.3 -1,-0.4 152,-0.1 152,-0.2 -0.249 83.1 -12.0 60.4-130.8 32.9 -8.4 11.8 182 185 A S T 3 S+ 0 0 83 154,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.351 102.4 113.1 -92.1 7.3 36.1 -7.5 10.0 183 186 A T < - 0 0 85 -3,-2.2 2,-0.3 -12,-0.0 -3,-0.2 -0.752 48.5-176.8 -83.6 110.7 34.4 -5.5 7.2 184 187 A Y + 0 0 72 -2,-0.7 2,-0.3 -13,-0.1 -13,-0.2 -0.831 9.4 165.0-118.2 147.0 35.5 -1.8 7.7 185 188 A S B -o 171 0G 25 -15,-2.3 -13,-0.6 -2,-0.3 47,-0.4 -0.922 19.7-132.4-152.7 171.2 34.6 1.4 5.9 186 189 A V - 0 0 5 -2,-0.3 -51,-2.5 -15,-0.1 -50,-0.3 -0.850 19.7-103.5-135.0 167.9 34.7 5.2 6.2 187 190 A S E > -L 134 0E 0 -22,-0.6 4,-1.6 -2,-0.3 -53,-0.2 -0.654 34.4-110.5 -93.3 140.8 32.6 8.3 5.8 188 191 A W E 4 S+L 133 0E 0 -55,-3.2 -55,-2.1 -2,-0.3 -51,-0.0 -0.916 97.1 23.8 -99.5 141.5 32.5 10.9 3.1 189 192 A P T >4 S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.969 116.5 65.2 -89.3 13.7 33.4 13.8 3.1 190 193 A A T 34 S+ 0 0 0 -26,-0.3 -2,-0.2 1,-0.3 5,-0.2 0.850 95.8 61.9 -60.0 -31.6 35.8 13.0 6.0 191 194 A S T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 43,-0.1 44,-0.2 0.588 78.9 108.8 -75.0 -5.8 37.8 10.7 3.7 192 195 A S X - 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