==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-06 2CIT . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR V.A.MONEY,N.L.SMITH,A.SCAFFIDI,R.V.STICK,H.J.GILBERT, G.J.DA . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 0 0 0 0 0 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 9 A L 0 0 70 0, 0.0 243,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 105.6 15.8 17.6 0.5 2 10 A K E -a 244 0A 95 241,-2.7 243,-2.7 26,-0.1 2,-0.5 -0.578 360.0-138.2 -77.1 141.0 18.9 17.8 2.6 3 11 A I E +a 245 0A 0 -2,-0.2 25,-2.0 241,-0.2 26,-1.6 -0.901 32.5 161.6-106.6 127.3 18.4 17.6 6.4 4 12 A G E -ab 246 29A 0 241,-2.7 243,-2.2 -2,-0.5 2,-0.3 -0.847 13.6-173.6-136.2 172.1 20.5 19.9 8.5 5 13 A A E -ab 247 30A 0 24,-1.3 26,-2.6 241,-0.3 2,-0.6 -0.957 34.7-130.2-160.1 149.6 20.6 21.5 12.0 6 14 A W E -a 248 0A 21 241,-2.3 243,-2.2 -2,-0.3 26,-0.1 -0.915 37.2-149.9 -82.3 122.7 22.3 23.8 14.3 7 15 A V - 0 0 15 -2,-0.6 3,-0.1 2,-0.5 241,-0.1 0.256 40.7 -95.0 -91.3 13.4 22.6 21.2 17.1 8 16 A G S S+ 0 0 25 1,-0.1 2,-0.3 242,-0.1 243,-0.1 0.287 103.1 37.3 96.9 -4.2 22.4 23.8 20.0 9 17 A T S S- 0 0 80 3,-0.1 -2,-0.5 241,-0.0 -1,-0.1 -0.925 110.4 -57.5-160.9 168.9 26.1 24.2 20.5 10 18 A Q - 0 0 40 -2,-0.3 2,-2.2 1,-0.1 5,-0.2 -0.364 66.5-105.0 -57.8 138.5 29.2 24.3 18.3 11 19 A P + 0 0 0 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.419 50.8 170.2 -79.8 73.4 29.3 21.1 16.3 12 20 A S > - 0 0 48 -2,-2.2 4,-2.5 1,-0.1 5,-0.3 -0.281 54.1 -96.6 -61.1 165.3 32.0 19.0 18.0 13 21 A E H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 127.6 48.0 -51.1 -45.5 32.2 15.4 16.8 14 22 A S H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.866 109.3 51.5 -68.7 -36.7 30.1 14.3 19.8 15 23 A A H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 112.2 46.9 -66.6 -39.9 27.5 17.0 19.3 16 24 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.949 115.4 45.7 -61.4 -50.9 27.1 16.0 15.6 17 25 A K H X S+ 0 0 99 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.912 111.3 52.0 -64.2 -37.4 26.9 12.3 16.5 18 26 A S H X S+ 0 0 70 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.886 110.7 47.3 -65.0 -42.1 24.5 12.9 19.3 19 27 A F H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 6,-0.2 0.901 111.6 51.4 -69.6 -39.4 22.1 14.8 17.2 20 28 A Q H X>S+ 0 0 31 -4,-2.5 5,-1.4 2,-0.2 4,-1.1 0.921 112.0 46.3 -58.8 -45.6 22.3 12.2 14.4 21 29 A E H ><5S+ 0 0 156 -4,-2.6 3,-0.9 -5,-0.2 -2,-0.2 0.971 112.7 51.8 -59.2 -50.3 21.5 9.5 16.9 22 30 A L H 3<5S+ 0 0 38 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.887 114.5 39.9 -51.6 -50.8 18.6 11.7 18.3 23 31 A Q H 3<5S- 0 0 1 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.559 105.4-127.4 -83.0 -7.8 16.9 12.3 15.0 24 32 A G T <<5S+ 0 0 63 -4,-1.1 2,-0.3 -3,-0.9 -3,-0.2 0.743 76.0 78.4 73.6 25.8 17.6 8.7 13.8 25 33 A R S - c 0 62A 50 -2,-0.3 3,-0.8 26,-0.2 0, 0.0 -0.230 33.6 -96.3 -99.5-175.7 31.7 36.0 14.5 36 44 A W T 3 S+ 0 0 1 26,-0.8 43,-0.1 1,-0.2 25,-0.0 0.093 117.9 60.6 -98.1 23.6 34.2 38.3 12.7 37 45 A S T 3 S+ 0 0 80 2,-0.1 2,-0.5 42,-0.0 -1,-0.2 -0.013 85.7 95.0-126.4 25.9 36.8 37.9 15.4 38 46 A T < - 0 0 20 -3,-0.8 2,-0.2 3,-0.0 -4,-0.0 -0.969 63.0-152.2-116.3 122.9 37.1 34.2 14.9 39 47 A D >> - 0 0 52 -2,-0.5 3,-1.6 1,-0.1 4,-1.2 -0.476 30.4-105.2 -90.0 167.4 39.8 32.8 12.7 40 48 A F H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.803 114.6 70.3 -62.9 -27.5 39.6 29.6 10.7 41 49 A S H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.841 101.3 47.2 -58.9 -29.1 42.0 27.9 13.1 42 50 A W H <4 S+ 0 0 113 -3,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.830 113.8 48.0 -77.0 -33.8 39.2 28.0 15.7 43 51 A V H >X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 3,-1.2 0.848 92.9 83.4 -68.4 -35.8 36.7 26.6 13.1 44 52 A R H 3X S+ 0 0 146 -4,-2.8 4,-3.2 1,-0.3 5,-0.2 0.774 85.7 49.3 -47.6 -48.1 39.0 23.8 12.0 45 53 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.869 115.3 46.7 -63.1 -34.5 38.3 21.1 14.6 46 54 A Y H <> S+ 0 0 53 -3,-1.2 4,-2.5 -4,-0.4 -2,-0.2 0.932 112.8 48.6 -68.4 -45.6 34.6 21.6 14.0 47 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.939 109.5 53.1 -59.5 -42.5 35.0 21.5 10.2 48 56 A D H X S+ 0 0 38 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.923 109.7 48.7 -60.8 -41.8 37.1 18.4 10.5 49 57 A A H X S+ 0 0 14 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.922 112.3 48.4 -62.6 -41.8 34.4 16.7 12.5 50 58 A V H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.3 0.956 115.6 42.6 -62.1 -50.7 31.7 17.7 10.0 51 59 A Y H ><5S+ 0 0 36 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.862 110.2 56.0 -68.6 -35.2 33.6 16.5 7.0 52 60 A N H 3<5S+ 0 0 133 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.820 106.3 52.8 -64.8 -29.2 34.8 13.3 8.7 53 61 A N T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.551 120.2-112.5 -75.7 -10.5 31.1 12.6 9.3 54 62 A G T < 5S+ 0 0 48 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.777 74.7 128.8 78.6 30.4 30.3 13.1 5.6 55 63 A S < - 0 0 4 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.699 60.2-115.3-108.4 167.9 28.3 16.3 6.1 56 64 A I E -c 29 0A 35 -28,-2.5 -26,-2.7 -2,-0.2 2,-0.5 -0.854 27.1-133.5 -99.9 135.6 28.5 19.8 4.6 57 65 A L E -cd 30 94A 0 36,-0.6 38,-2.8 -2,-0.4 2,-0.5 -0.804 18.5-170.3 -88.9 124.6 29.4 22.7 6.9 58 66 A M E -cd 31 95A 0 -28,-2.6 -26,-2.6 -2,-0.5 2,-0.5 -0.979 7.8-164.4-110.0 125.6 27.2 25.8 6.6 59 67 A I E -cd 32 96A 0 36,-2.8 38,-3.2 -2,-0.5 2,-0.6 -0.939 14.1-152.4-112.2 122.4 28.6 28.7 8.6 60 68 A T E -cd 33 97A 0 -28,-2.9 -26,-2.5 -2,-0.5 2,-0.8 -0.862 20.9-154.8 -88.1 117.3 26.5 31.8 9.4 61 69 A W E -cd 34 98A 0 36,-1.8 38,-1.7 -2,-0.6 -26,-0.2 -0.873 8.7-164.6-111.2 102.2 29.3 34.4 9.6 62 70 A E E -c 35 0A 25 -28,-3.1 2,-2.0 -2,-0.8 -26,-0.8 -0.774 11.8-156.7-100.6 108.6 28.1 37.2 11.9 63 71 A P > + 0 0 1 0, 0.0 3,-1.4 0, 0.0 -28,-0.1 -0.341 35.6 148.4 -87.1 67.9 30.0 40.6 11.8 64 72 A W T 3 S+ 0 0 128 -2,-2.0 3,-0.1 1,-0.2 -29,-0.0 0.824 77.0 56.8 -57.4 -25.7 29.2 41.9 15.2 65 73 A E T 3 S+ 0 0 67 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.497 112.4 33.3 -87.1 -8.4 32.6 43.5 14.9 66 74 A Y < - 0 0 59 -3,-1.4 -1,-0.2 10,-0.0 2,-0.0 -0.941 68.3-146.3-151.3 128.1 32.1 45.4 11.6 67 75 A N > - 0 0 42 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.217 41.6 -93.7 -85.8 179.1 29.1 47.1 10.1 68 76 A T H > S+ 0 0 0 40,-0.3 4,-2.8 2,-0.2 5,-0.2 0.818 126.2 53.2 -69.1 -23.0 28.5 47.3 6.3 69 77 A V H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.953 110.5 47.3 -71.1 -48.1 30.2 50.7 6.0 70 78 A D H 4>S+ 0 0 56 1,-0.2 5,-2.2 2,-0.2 6,-0.5 0.923 117.2 43.5 -52.5 -48.9 33.3 49.3 7.7 71 79 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 5,-0.2 0.948 112.2 49.5 -70.2 -46.1 33.2 46.2 5.5 72 80 A K H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.2 53.8 -63.4 -29.8 32.5 47.9 2.1 73 81 A N T 3<5S- 0 0 100 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.457 119.1-109.6 -85.3 -1.7 35.3 50.4 2.8 74 82 A G T X 5S+ 0 0 21 -3,-1.7 3,-1.8 -4,-0.3 4,-0.3 0.498 77.2 131.8 93.0 7.5 37.8 47.6 3.4 75 83 A K T 3 S+ 0 0 0 -6,-0.5 4,-2.6 -5,-0.2 3,-0.4 0.235 82.3 111.4-101.2 10.1 37.9 44.2 7.7 77 85 A D H <> S+ 0 0 42 -3,-1.8 4,-2.9 1,-0.3 5,-0.2 0.812 70.6 54.9 -68.4 -29.4 40.0 43.2 4.8 78 86 A A H > S+ 0 0 72 -4,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.938 113.6 43.3 -62.2 -45.0 42.9 41.7 6.7 79 87 A Y H > S+ 0 0 8 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.920 115.5 48.0 -65.5 -44.2 40.5 39.4 8.6 80 88 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 111.3 51.1 -60.4 -45.1 38.5 38.6 5.4 81 89 A T H X S+ 0 0 41 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.906 109.1 49.9 -62.1 -42.7 41.7 37.8 3.4 82 90 A R H X S+ 0 0 89 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.933 111.7 49.2 -64.2 -40.8 43.0 35.5 6.1 83 91 A M H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.920 111.7 48.7 -61.7 -43.6 39.7 33.6 6.2 84 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 113.2 47.0 -65.2 -43.6 39.6 33.3 2.4 85 93 A Q H X S+ 0 0 100 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.932 114.7 47.1 -63.2 -43.0 43.2 32.0 2.3 86 94 A D H X S+ 0 0 56 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.9 47.7 -68.0 -39.1 42.6 29.6 5.1 87 95 A M H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.895 111.4 50.7 -68.5 -38.9 39.4 28.3 3.6 88 96 A K H < S+ 0 0 113 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.939 111.7 48.0 -60.2 -48.2 41.0 27.8 0.2 89 97 A A H < S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 107.5 55.5 -58.7 -42.7 43.9 25.9 1.8 90 98 A Y H < S- 0 0 35 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.903 90.7-167.3 -58.5 -43.2 41.3 23.8 3.7 91 99 A G < + 0 0 42 -4,-2.1 -1,-0.1 1,-0.2 -3,-0.1 0.067 36.3 122.6 92.1 -23.5 39.8 23.0 0.3 92 100 A K S S- 0 0 73 -5,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.299 73.9 -92.3 -82.1 155.9 36.5 21.4 1.3 93 101 A E + 0 0 78 49,-0.1 -36,-0.6 -2,-0.0 2,-0.4 -0.585 50.5 179.6 -74.1 116.0 33.1 22.7 0.1 94 102 A I E -de 57 142A 0 47,-1.6 49,-3.0 -2,-0.6 2,-0.6 -0.928 24.0-141.8-119.0 133.9 31.8 25.1 2.7 95 103 A W E -de 58 143A 3 -38,-2.8 -36,-2.8 -2,-0.4 2,-0.5 -0.892 22.6-164.3 -96.1 124.0 28.5 27.0 2.6 96 104 A L E -de 59 144A 0 47,-3.2 49,-2.8 -2,-0.6 -36,-0.2 -0.943 12.8-173.1-121.3 127.7 29.1 30.5 3.9 97 105 A R E -d 60 0A 0 -38,-3.2 -36,-1.8 -2,-0.5 3,-0.4 -0.816 16.1-178.6-122.1 82.7 26.2 32.8 4.9 98 106 A P E +d 61 0A 3 0, 0.0 -36,-0.2 0, 0.0 49,-0.2 -0.556 60.5 8.8 -85.2 149.3 27.5 36.2 5.8 99 107 A L S S- 0 0 0 -38,-1.7 3,-0.5 -2,-0.2 48,-0.2 0.914 86.5-172.5 60.0 47.7 25.5 39.2 7.0 100 108 A H + 0 0 2 -3,-0.4 9,-0.1 1,-0.2 -1,-0.1 -0.189 54.3 24.7 -76.5 166.7 22.3 37.2 7.5 101 109 A A > + 0 0 2 1,-0.1 3,-2.0 2,-0.1 6,-0.3 0.807 67.4 156.0 53.5 39.8 18.8 38.5 8.3 102 110 A A T 3 + 0 0 0 -3,-0.5 9,-2.4 45,-0.4 10,-0.8 0.650 65.5 64.6 -77.0 -13.0 19.6 41.9 6.8 103 111 A N T 3 S+ 0 0 0 44,-0.2 50,-2.7 8,-0.2 -1,-0.3 0.257 97.0 75.2 -89.9 12.6 15.9 42.6 6.2 104 112 A G S < S- 0 0 0 -3,-2.0 8,-1.5 48,-0.2 9,-0.3 -0.338 80.2-131.4-100.7-168.3 15.4 42.5 10.0 105 113 A D S S+ 0 0 70 7,-0.2 9,-0.5 -2,-0.1 -3,-0.1 0.210 83.8 80.9-130.0 14.0 16.3 45.1 12.6 106 114 A W S S+ 0 0 105 -5,-0.3 -4,-0.1 7,-0.1 -5,-0.0 0.646 76.0 69.5-106.8 -15.3 18.2 43.1 15.2 107 115 A Y S > S- 0 0 31 -6,-0.3 3,-2.1 -7,-0.1 6,-0.2 -0.807 80.4-125.9-106.3 146.8 21.7 42.7 13.9 108 116 A P T 3 S+ 0 0 25 0, 0.0 -40,-0.3 0, 0.0 9,-0.1 0.570 110.7 50.5 -71.8 -3.6 24.1 45.6 13.6 109 117 A W T 3 S+ 0 0 0 -42,-0.2 2,-0.1 -9,-0.1 -7,-0.1 0.355 88.4 111.2-104.2 0.3 24.7 45.0 9.9 110 118 A A S X S- 0 0 0 -3,-2.1 3,-1.2 1,-0.1 8,-0.4 -0.447 73.0-128.7 -82.1 151.2 21.0 44.8 9.0 111 119 A I T 3 S+ 0 0 14 -9,-2.4 7,-0.2 1,-0.3 -8,-0.2 0.890 110.8 51.6 -63.6 -36.7 19.2 47.4 6.9 112 120 A G T 3 S+ 0 0 2 -8,-1.5 43,-0.4 -10,-0.8 -1,-0.3 0.560 79.3 125.3 -76.4 -8.9 16.5 47.7 9.6 113 121 A Y X - 0 0 80 -3,-1.2 3,-2.3 -9,-0.3 5,-0.3 -0.307 69.3-123.4 -58.9 139.3 19.0 48.3 12.4 114 122 A S T 3 S+ 0 0 86 -9,-0.5 -1,-0.1 1,-0.3 -8,-0.0 0.551 102.9 71.1 -74.2 -8.4 18.2 51.5 14.2 115 123 A S T 3 S- 0 0 66 1,-0.1 -1,-0.3 -7,-0.0 -2,-0.1 0.688 92.7-142.7 -71.4 -18.9 21.5 53.3 13.8 116 124 A R < + 0 0 135 -3,-2.3 -2,-0.1 -6,-0.2 -1,-0.1 0.479 63.4 124.6 71.9 9.7 20.5 53.6 10.1 117 125 A V + 0 0 44 -4,-0.1 2,-0.5 -9,-0.1 -6,-0.1 0.769 54.2 74.2 -72.5 -24.9 24.1 53.0 9.0 118 126 A N + 0 0 4 -8,-0.4 2,-0.2 -5,-0.3 -2,-0.1 -0.813 58.0 167.3 -99.1 126.5 23.3 50.1 6.8 119 127 A T > - 0 0 55 -2,-0.5 4,-2.6 1,-0.1 5,-0.3 -0.733 52.4 -97.3-122.4 172.8 21.6 50.7 3.4 120 128 A N H > S+ 0 0 54 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 124.7 50.2 -55.8 -40.7 21.0 48.6 0.4 121 129 A E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 111.7 44.1 -69.0 -43.4 24.1 50.1 -1.2 122 130 A T H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 115.2 50.9 -70.4 -35.5 26.4 49.6 1.7 123 131 A Y H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.938 112.5 43.8 -63.1 -52.2 25.1 46.1 2.1 124 132 A I H X S+ 0 0 38 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.928 114.4 50.1 -61.3 -42.1 25.6 45.0 -1.5 125 133 A A H X S+ 0 0 41 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.8 48.3 -65.6 -37.0 29.0 46.7 -1.7 126 134 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.952 113.1 45.9 -63.9 -49.4 30.0 44.8 1.5 127 135 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.947 114.5 47.5 -63.2 -47.9 28.7 41.4 0.4 128 136 A R H X S+ 0 0 89 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.864 109.2 55.4 -61.2 -37.0 30.3 41.8 -3.1 129 137 A H H X S+ 0 0 47 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.921 107.4 48.4 -62.6 -42.7 33.6 42.9 -1.4 130 138 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.950 113.4 47.4 -60.2 -50.8 33.8 39.8 0.7 131 139 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.917 109.2 54.1 -60.5 -42.5 33.1 37.6 -2.3 132 140 A D H X S+ 0 0 76 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.915 108.6 49.0 -57.5 -41.9 35.7 39.4 -4.4 133 141 A I H X S+ 0 0 17 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.930 111.2 49.0 -67.3 -42.0 38.4 38.8 -1.8 134 142 A F H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.5 0.930 113.1 47.6 -61.6 -45.9 37.5 35.1 -1.5 135 143 A R H ><5S+ 0 0 120 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.890 107.9 55.4 -62.8 -39.6 37.6 34.7 -5.3 136 144 A A H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.6 49.5 -61.8 -27.1 41.0 36.6 -5.5 137 145 A N T <<5S- 0 0 45 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.222 119.6-109.7 -98.7 11.9 42.4 34.0 -3.0 138 146 A G T < 5 + 0 0 34 -3,-1.7 2,-2.4 1,-0.2 3,-0.3 0.583 64.4 151.2 78.8 14.2 41.1 31.1 -5.0 139 147 A A > < + 0 0 3 -5,-2.4 3,-1.8 1,-0.2 -1,-0.2 -0.278 7.8 145.9 -82.6 58.9 38.4 30.0 -2.6 140 148 A T T 3 + 0 0 116 -2,-2.4 -1,-0.2 1,-0.3 -5,-0.1 0.636 63.2 71.1 -65.9 -18.3 36.2 28.5 -5.2 141 149 A N T 3 S+ 0 0 17 -3,-0.3 -47,-1.6 -48,-0.1 2,-0.6 0.558 77.8 90.5 -72.6 -15.5 35.2 25.9 -2.6 142 150 A V E < -e 94 0A 5 -3,-1.8 2,-0.4 -49,-0.2 -47,-0.2 -0.808 65.3-156.6 -90.4 122.0 33.2 28.5 -0.7 143 151 A K E -e 95 0A 58 -49,-3.0 -47,-3.2 -2,-0.6 2,-0.4 -0.863 15.2-129.7-100.7 133.7 29.5 28.7 -1.7 144 152 A W E -e 96 0A 4 -2,-0.4 26,-2.7 -49,-0.2 27,-2.2 -0.709 16.7-161.7 -96.3 128.4 27.7 31.9 -1.0 145 153 A V B -i 171 0B 0 -49,-2.8 27,-0.2 -2,-0.4 2,-0.2 -0.940 1.8-160.2-113.2 118.1 24.3 32.0 0.7 146 154 A F - 0 0 0 25,-2.8 2,-0.4 -2,-0.6 27,-0.1 -0.596 20.5-159.2 -83.8 152.0 22.1 35.0 0.5 147 155 A N - 0 0 2 -2,-0.2 -45,-0.4 -48,-0.2 2,-0.4 -0.990 22.0-175.8-142.2 147.1 19.4 35.3 3.2 148 156 A V E -f 174 0A 0 25,-1.8 27,-1.9 -2,-0.4 2,-0.2 -0.994 28.6-125.0-128.6 146.8 16.2 36.9 4.2 149 157 A N E -f 175 0A 19 -2,-0.4 27,-0.2 25,-0.2 24,-0.0 -0.558 37.7-110.0 -70.6 151.4 14.2 36.7 7.4 150 158 A C S S+ 0 0 8 25,-2.2 2,-0.4 -2,-0.2 49,-0.3 0.796 103.5 39.1 -58.7 -28.1 10.6 35.5 6.6 151 159 A D S S- 0 0 50 24,-0.1 2,-0.6 47,-0.1 -2,-0.2 -0.940 85.3-120.7-122.7 147.3 9.3 39.0 7.5 152 160 A N - 0 0 62 -2,-0.4 2,-0.5 5,-0.1 -48,-0.2 -0.762 38.0-174.3 -82.7 118.6 10.7 42.5 6.7 153 161 A V + 0 0 49 -50,-2.7 -41,-0.2 -2,-0.6 2,-0.1 -0.977 41.9 16.1-125.5 116.3 11.2 44.1 10.1 154 162 A G S > S- 0 0 31 -2,-0.5 3,-1.4 3,-0.1 -41,-0.1 -0.222 97.4 -42.9 109.9 164.5 12.3 47.7 10.5 155 163 A N T 3 S+ 0 0 115 -43,-0.4 -2,-0.1 1,-0.2 -39,-0.1 -0.351 120.7 10.6 -66.0 134.5 12.5 50.8 8.4 156 164 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.447 89.8 141.7 88.2 -0.5 13.8 50.3 4.9 157 165 A T < + 0 0 24 -3,-1.4 2,-0.3 -54,-0.1 -1,-0.2 -0.451 15.8 156.8 -89.8 151.4 13.8 46.5 4.8 158 166 A S - 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