==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-01 1IS9 . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.SCHMIDT,A.GONZALEZ,R.J.MORRIS,M.COSTABEL,P.M.ALZARI, . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 0 0 1 0 0 1 2 3 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 93 0, 0.0 4,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 141.8 41.2 -17.2 1.9 2 2 A G + 0 0 7 357,-0.2 69,-0.2 3,-0.1 68,-0.1 -0.283 360.0 55.8 74.8-160.8 42.1 -14.0 3.7 3 3 A V S S+ 0 0 11 67,-3.0 2,-0.1 1,-0.2 348,-0.1 -0.345 107.3 37.4 -44.7 140.9 45.6 -12.7 4.3 4 4 A P S S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 347,-0.1 0.286 75.1 173.5 -56.1 122.7 47.4 -12.4 1.8 5 5 A F - 0 0 14 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 0.804 23.9-153.8 -67.9 -30.9 44.3 -11.2 -0.1 6 6 A N + 0 0 132 1,-0.2 2,-0.1 344,-0.1 -1,-0.1 0.638 45.9 138.2 63.3 20.1 46.5 -10.3 -3.2 7 7 A T - 0 0 26 343,-0.4 2,-0.5 352,-0.1 -1,-0.2 -0.397 50.4-134.4 -89.6 162.7 43.9 -7.8 -4.2 8 8 A K - 0 0 163 -2,-0.1 6,-0.1 -3,-0.1 7,-0.1 -0.989 20.3-124.4-119.7 125.2 44.5 -4.3 -5.5 9 9 A Y - 0 0 13 -2,-0.5 247,-0.1 1,-0.1 246,-0.1 -0.440 22.1-129.1 -60.7 142.6 42.5 -1.4 -4.2 10 10 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.685 89.9 35.7 -71.7 -16.3 40.8 0.3 -7.1 11 11 A Y S S+ 0 0 107 244,-1.2 247,-0.1 2,-0.1 248,-0.1 -0.985 110.2 2.4-135.1 148.6 42.1 3.8 -6.1 12 12 A G S S- 0 0 37 -2,-0.3 298,-0.1 298,-0.1 2,-0.1 -0.141 106.1 -17.4 73.3-171.6 45.4 4.9 -4.5 13 13 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.376 47.3-142.0 -69.1 148.7 48.3 2.7 -3.6 14 14 A T S S- 0 0 59 1,-0.3 2,-0.3 -6,-0.1 -5,-0.1 0.799 86.3 -12.4 -72.9 -37.2 47.9 -1.1 -3.4 15 15 A S - 0 0 48 335,-0.1 -1,-0.3 334,-0.1 334,-0.2 -0.942 45.9-154.7-163.8 148.2 50.3 -1.1 -0.4 16 16 A I 0 0 14 332,-2.5 305,-0.2 -2,-0.3 333,-0.2 0.162 360.0 360.0-111.2 10.4 52.7 1.3 1.3 17 17 A A 0 0 52 331,-0.4 -1,-0.1 304,-0.1 332,-0.1 0.864 360.0 360.0 -65.6 360.0 54.9 -1.5 2.8 18 ! 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 19 23 A V > 0 0 81 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.9 54.8 -8.5 5.0 20 24 A T H > + 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 360.0 47.2 -58.1 -45.1 52.5 -11.5 4.9 21 25 A A H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 112.7 50.4 -64.1 -40.5 54.7 -13.4 7.3 22 26 A M H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 109.9 49.8 -63.2 -45.2 55.0 -10.4 9.6 23 27 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.914 110.6 49.4 -60.5 -45.0 51.2 -9.9 9.6 24 28 A K H X S+ 0 0 111 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.904 111.5 49.4 -63.6 -37.7 50.6 -13.6 10.5 25 29 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.897 111.6 48.5 -67.1 -40.5 53.1 -13.4 13.3 26 30 A E H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.868 111.4 51.0 -68.1 -35.6 51.5 -10.2 14.7 27 31 A W H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.924 108.4 50.6 -65.0 -46.1 48.1 -11.9 14.4 28 32 A E H X S+ 0 0 101 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.911 112.9 47.6 -59.6 -37.8 49.3 -14.9 16.4 29 33 A D H X S+ 0 0 47 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 113.3 46.4 -66.9 -47.0 50.7 -12.6 19.0 30 34 A W H X S+ 0 0 11 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.925 113.2 50.1 -61.2 -46.8 47.5 -10.6 19.3 31 35 A K H X S+ 0 0 42 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.929 109.8 50.5 -57.8 -45.2 45.4 -13.7 19.4 32 36 A S H < S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.929 120.2 34.9 -60.2 -45.1 47.5 -15.2 22.2 33 37 A K H < S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.874 125.8 35.2 -77.7 -39.7 47.3 -12.1 24.3 34 38 A R H < S+ 0 0 4 -4,-3.2 13,-3.1 -5,-0.2 2,-0.5 0.648 97.7 78.5 -96.9 -24.3 43.8 -10.8 23.6 35 39 A I E < +A 46 0A 23 -4,-1.9 2,-0.3 -5,-0.4 11,-0.2 -0.809 53.8 160.8 -94.9 132.7 41.5 -13.9 23.1 36 40 A T E -A 45 0A 20 9,-2.2 9,-2.4 -2,-0.5 7,-0.1 -0.997 41.4-153.7-146.0 153.4 40.3 -15.8 26.1 37 41 A S > + 0 0 70 -2,-0.3 3,-2.0 7,-0.2 5,-0.5 0.560 69.7 108.7 -91.7 -16.7 37.6 -18.3 27.1 38 42 A N T 3 S+ 0 0 126 1,-0.3 64,-0.1 2,-0.1 7,-0.1 -0.500 96.2 1.5 -66.2 126.0 37.7 -17.1 30.7 39 43 A G T 3 S+ 0 0 24 -2,-0.3 -1,-0.3 62,-0.1 5,-0.1 0.689 101.5 115.9 71.3 20.4 34.5 -15.1 31.4 40 44 A A S X S- 0 0 1 -3,-2.0 3,-1.7 3,-0.2 -2,-0.1 0.250 80.7-119.4-109.6 12.8 33.3 -15.8 27.9 41 45 A G T 3 S- 0 0 50 1,-0.3 3,-0.1 -4,-0.2 -3,-0.1 0.688 80.1 -43.2 64.6 23.3 30.2 -17.9 28.7 42 46 A G T 3 S+ 0 0 69 -5,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.231 133.3 71.3 103.5 -5.3 31.4 -21.0 26.8 43 47 A Y S < S- 0 0 84 -3,-1.7 2,-0.3 -6,-0.1 -1,-0.3 0.082 88.2 -86.1-113.4-144.5 32.6 -19.0 23.8 44 48 A K - 0 0 70 35,-1.0 39,-0.4 -4,-0.1 2,-0.3 -0.979 34.8-170.5-134.2 152.0 35.6 -16.6 23.3 45 49 A R E -A 36 0A 4 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.7 -0.934 28.8-115.6-136.9 161.6 36.0 -12.9 23.9 46 50 A V E -A 35 0A 1 -2,-0.3 11,-0.3 -11,-0.2 2,-0.3 -0.889 38.5-157.0 -92.5 115.6 38.5 -10.2 23.2 47 51 A Q - 0 0 31 -13,-3.1 9,-0.2 -2,-0.7 8,-0.1 -0.719 9.0-132.3 -93.0 149.2 39.8 -9.0 26.6 48 52 A R - 0 0 51 7,-3.2 -1,-0.1 -2,-0.3 2,-0.1 0.034 41.3 -84.5 -75.1-168.0 41.3 -5.6 27.2 49 53 A D > > - 0 0 7 5,-0.1 5,-2.3 4,-0.1 3,-1.6 -0.264 42.7 -82.3-100.9-174.2 44.6 -5.4 29.1 50 54 A A G > 5S+ 0 0 29 281,-0.5 3,-1.7 1,-0.3 283,-0.1 0.800 117.7 71.8 -58.4 -32.2 45.9 -5.4 32.7 51 55 A S G 3 5S+ 0 0 44 281,-1.5 -1,-0.3 1,-0.3 282,-0.1 0.728 112.1 28.1 -62.0 -22.3 45.2 -1.7 33.0 52 56 A T G X 5S- 0 0 50 -3,-1.6 3,-0.9 3,-0.1 -1,-0.3 -0.022 118.5-105.4-125.5 27.5 41.4 -2.4 33.0 53 57 A N T < 5 - 0 0 118 -3,-1.7 47,-0.3 1,-0.2 -3,-0.2 0.819 66.6 -65.5 52.0 42.0 41.6 -5.9 34.6 54 58 A Y T 3 > -B 97 0B 6 -2,-0.4 4,-1.2 -11,-0.3 3,-1.0 -0.931 32.4-120.9-117.7 149.8 34.3 -3.7 25.5 58 62 A S H 3> S+ 0 0 0 38,-2.0 4,-2.1 -2,-0.4 3,-0.3 0.858 111.8 62.8 -58.8 -31.9 32.1 -4.1 22.4 59 63 A E H 3> S+ 0 0 30 37,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.860 99.9 54.0 -60.0 -36.9 34.6 -2.2 20.3 60 64 A G H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.838 105.4 52.9 -66.0 -35.8 37.2 -5.0 21.0 61 65 A M H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.897 108.4 51.1 -63.1 -42.1 34.8 -7.6 19.8 62 66 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 111.6 46.9 -59.1 -46.4 34.4 -5.6 16.6 63 67 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.926 112.3 50.1 -61.3 -46.1 38.2 -5.5 16.2 64 68 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.877 111.3 47.6 -63.7 -37.6 38.6 -9.2 16.9 65 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.912 111.6 50.0 -69.4 -41.8 35.9 -10.1 14.4 66 70 A L H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.912 117.0 42.3 -60.5 -43.0 37.4 -7.9 11.7 67 71 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.933 111.4 53.9 -68.9 -45.5 40.8 -9.5 12.4 68 72 A A H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.896 111.0 45.0 -61.3 -40.3 39.6 -13.0 12.7 69 73 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.8 3,-0.2 -1,-0.2 0.938 112.2 51.4 -70.4 -40.1 37.8 -13.0 9.3 70 74 A C H 3<5S+ 0 0 1 -4,-1.7 -67,-3.0 1,-0.3 -2,-0.2 0.837 112.2 47.7 -65.2 -28.7 40.8 -11.3 7.5 71 75 A F T 3<5S- 0 0 20 -4,-2.2 -1,-0.3 -69,-0.2 -2,-0.2 0.214 116.1-116.2 -95.3 15.4 43.1 -14.0 9.0 72 76 A N T < 5 + 0 0 74 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.909 63.3 148.4 53.8 49.9 40.8 -16.8 7.9 73 77 A E >< + 0 0 48 -5,-2.8 4,-2.7 1,-0.2 -1,-0.2 -0.688 10.3 163.4-113.4 74.9 40.0 -18.0 11.5 74 78 A Q H > S+ 0 0 75 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.908 71.2 50.2 -66.3 -44.6 36.4 -19.2 11.2 75 79 A A H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 115.6 44.6 -61.4 -42.7 36.1 -21.3 14.4 76 80 A L H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 111.3 53.2 -66.2 -46.2 37.4 -18.4 16.4 77 81 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.918 108.8 50.3 -52.1 -48.2 35.2 -15.9 14.6 78 82 A D H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.900 111.1 47.3 -62.5 -40.3 32.2 -18.0 15.3 79 83 A D H X S+ 0 0 37 -4,-1.9 4,-1.8 2,-0.2 -35,-1.0 0.896 112.2 50.2 -68.4 -38.4 33.0 -18.2 19.0 80 84 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.922 111.7 48.7 -62.2 -43.4 33.6 -14.5 19.2 81 85 A Y H X S+ 0 0 3 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.888 105.5 57.0 -67.8 -34.8 30.3 -13.8 17.5 82 86 A R H X S+ 0 0 84 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 107.5 49.9 -60.6 -38.8 28.5 -16.2 19.9 83 87 A Y H < S+ 0 0 0 -4,-1.8 4,-0.2 -39,-0.4 -2,-0.2 0.940 110.2 49.7 -62.8 -46.5 29.9 -14.0 22.7 84 88 A V H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 11,-0.2 0.947 111.4 48.2 -53.3 -51.7 28.6 -10.9 21.0 85 89 A K H >< S+ 0 0 106 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.856 103.9 60.5 -62.3 -31.9 25.1 -12.4 20.5 86 90 A S T 3< S+ 0 0 58 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.477 110.6 44.1 -69.1 -6.2 25.1 -13.4 24.1 87 91 A H T < S+ 0 0 13 -3,-2.1 8,-2.9 -4,-0.2 -1,-0.3 0.172 76.7 132.1-125.8 13.9 25.4 -9.7 24.9 88 92 A F B < -D 94 0C 47 -3,-1.4 6,-0.2 6,-0.2 -3,-0.0 -0.493 48.5-140.2 -67.0 136.7 22.9 -8.1 22.5 89 93 A N > - 0 0 12 4,-3.1 3,-2.1 -2,-0.2 23,-0.1 -0.057 37.8 -75.7 -85.1-172.4 20.7 -5.6 24.3 90 94 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.637 133.7 51.3 -63.1 -16.7 17.0 -5.0 23.9 91 95 A N T 3 S- 0 0 35 2,-0.2 -1,-0.3 63,-0.0 63,-0.1 0.280 120.7-105.5-100.7 6.6 17.7 -3.1 20.7 92 96 A G S < S+ 0 0 15 -3,-2.1 2,-0.3 1,-0.3 58,-0.1 0.724 84.5 117.7 76.7 24.0 19.8 -5.8 19.2 93 97 A L S S- 0 0 0 57,-0.1 -4,-3.1 -6,-0.1 -1,-0.3 -0.909 71.9 -93.4-125.5 147.1 23.1 -4.0 19.8 94 98 A M B -D 88 0C 0 -2,-0.3 20,-0.4 -6,-0.2 -6,-0.2 -0.371 35.2-111.2 -71.0 135.2 26.0 -5.2 22.0 95 99 A H - 0 0 24 -8,-2.9 18,-0.2 -11,-0.2 16,-0.2 -0.348 31.8-139.3 -50.2 132.2 26.2 -4.2 25.6 96 100 A W S S+ 0 0 74 16,-2.6 -38,-2.0 14,-0.6 2,-0.4 0.769 76.9 37.9 -76.8 -27.5 29.3 -1.9 25.5 97 101 A H E +B 57 0B 19 13,-1.2 8,-2.0 15,-0.2 2,-0.4 -0.976 57.2 168.0-137.3 122.4 31.0 -3.0 28.7 98 102 A I E -BC 56 104B 0 -42,-2.7 -42,-3.0 -2,-0.4 6,-0.2 -0.981 28.2-129.4-129.0 136.6 31.3 -6.4 30.3 99 103 A D > - 0 0 50 4,-2.9 3,-2.1 -2,-0.4 -45,-0.1 -0.254 37.2 -93.7 -79.4 174.7 33.7 -7.3 33.2 100 104 A A T 3 S+ 0 0 29 -47,-0.3 -1,-0.1 1,-0.3 -45,-0.1 0.619 125.2 59.0 -65.2 -14.5 36.0 -10.3 33.3 101 105 A N T 3 S- 0 0 131 2,-0.2 -1,-0.3 -61,-0.1 -62,-0.1 0.273 120.5-106.0 -98.0 11.6 33.3 -12.4 35.0 102 106 A N S < S+ 0 0 41 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.677 76.6 134.3 72.6 24.5 30.8 -11.8 32.1 103 107 A N - 0 0 94 3,-0.0 -4,-2.9 1,-0.0 -1,-0.3 -0.867 61.3-116.8-102.8 133.0 28.6 -9.4 34.0 104 108 A V B -C 98 0B 50 -2,-0.5 -6,-0.3 -6,-0.2 7,-0.1 -0.450 45.1-105.3 -61.8 137.9 27.5 -6.2 32.3 105 109 A T > - 0 0 28 -8,-2.0 5,-0.7 5,-0.1 6,-0.3 -0.324 28.1-135.2 -76.3 151.2 29.0 -3.3 34.2 106 110 A S T 5S+ 0 0 72 1,-0.2 -1,-0.1 3,-0.1 -3,-0.0 -0.645 76.8 20.8 -99.6 155.0 27.2 -1.0 36.5 107 111 A H T 5S+ 0 0 201 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.436 110.4 70.4 68.5 3.3 27.3 2.8 36.8 108 112 A D T 5S- 0 0 61 -3,-0.2 -1,-0.1 -11,-0.1 -2,-0.1 0.103 111.2-102.8-133.5 24.7 28.7 3.4 33.3 109 113 A G T > 5 + 0 0 52 1,-0.1 3,-1.7 2,-0.1 -13,-0.3 0.833 58.9 164.0 60.0 36.8 25.7 2.5 31.2 110 114 A G T 3 < + 0 0 1 -5,-0.7 -13,-1.2 1,-0.3 -14,-0.6 0.707 67.3 63.7 -58.9 -24.6 27.2 -0.8 30.3 111 115 A D T 3 S+ 0 0 71 -6,-0.3 -1,-0.3 -16,-0.2 -21,-0.1 0.772 90.3 81.3 -68.5 -33.1 23.8 -2.1 29.0 112 116 A G S < S- 0 0 15 -3,-1.7 -16,-2.6 -17,-0.1 -15,-0.2 -0.370 81.2-121.1 -71.6 160.9 23.8 0.5 26.3 113 117 A A - 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0 0 19 -6,-1.6 4,-1.6 1,-0.2 -1,-0.2 -0.338 18.1-158.9 -64.1 116.7 35.8 9.2 -2.7 260 264 A Q H > S+ 0 0 121 -2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.755 89.8 59.3 -71.2 -23.0 37.4 12.5 -3.4 261 265 A R H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 104.5 51.3 -68.2 -42.0 36.1 14.0 -0.1 262 266 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 111.9 46.9 -59.5 -44.4 37.9 11.3 1.8 263 267 A K H X S+ 0 0 46 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.928 110.3 51.3 -64.1 -45.4 41.1 12.1 -0.1 264 268 A A H X S+ 0 0 48 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.936 116.5 41.3 -58.8 -43.0 40.8 15.9 0.4 265 269 A N H X S+ 0 0 8 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 115.9 46.8 -71.8 -46.1 40.3 15.4 4.1 266 270 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.855 107.5 57.7 -68.8 -31.8 42.9 12.7 4.7 267 271 A D H X S+ 0 0 33 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.900 106.2 50.9 -61.5 -40.3 45.5 14.7 2.7 268 272 A M H X S+ 0 0 53 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.922 112.1 45.8 -61.0 -47.8 45.0 17.6 5.1 269 273 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -50,-0.3 -2,-0.2 0.940 113.7 48.5 -60.6 -46.3 45.5 15.3 8.2 270 274 A T H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.935 109.3 53.3 -61.8 -43.8 48.6 13.6 6.7 271 275 A K H X S+ 0 0 126 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.883 105.9 54.0 -59.1 -40.0 50.1 17.0 5.7 272 276 A F H >< S+ 0 0 11 -4,-1.9 3,-1.5 -54,-0.3 4,-0.4 0.945 109.2 47.4 -58.8 -49.0 49.7 18.2 9.3 273 277 A F H >X S+ 0 0 5 -4,-2.0 4,-1.6 1,-0.3 3,-0.7 0.789 99.3 69.4 -67.4 -23.0 51.6 15.1 10.6 274 278 A A H 3< S+ 0 0 28 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.711 82.2 76.1 -65.5 -18.1 54.3 15.7 8.0 275 279 A R T << S+ 0 0 158 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.936 114.1 18.3 -58.2 -46.8 55.3 18.8 10.0 276 280 A D T <4 S- 0 0 73 -3,-0.7 4,-0.3 -4,-0.4 -1,-0.2 0.571 110.2-131.1-100.1 -13.3 57.0 16.7 12.7 277 281 A G >< - 0 0 22 -4,-1.6 3,-1.1 1,-0.2 4,-0.4 -0.055 39.5 -56.8 85.8 174.2 57.4 13.5 10.7 278 282 A A G > S+ 0 0 10 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.862 133.9 52.8 -61.0 -40.8 56.6 9.9 11.6 279 283 A K G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.708 103.7 60.4 -68.4 -20.9 58.7 9.9 14.7 280 284 A G G < S+ 0 0 21 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.463 70.1 123.7 -90.1 -2.6 57.0 13.0 16.0 281 285 A I < - 0 0 1 -3,-1.1 2,-0.2 -4,-0.4 19,-0.1 -0.387 41.5-173.1 -61.2 131.4 53.4 11.7 16.2 282 286 A V - 0 0 12 14,-0.1 14,-0.2 18,-0.1 12,-0.2 -0.739 32.6-104.8-125.6 173.4 52.1 12.2 19.8 283 287 A D S S+ 0 0 8 12,-0.9 -42,-0.2 -2,-0.2 11,-0.2 -0.084 91.4 28.2 -96.8 36.4 49.0 11.2 21.6 284 288 A G + 0 0 0 9,-0.4 8,-2.6 -44,-0.1 9,-1.3 -0.544 53.1 164.6 170.2 127.8 47.0 14.4 21.9 285 289 A Y B -HI 239 291G 0 -46,-2.0 -46,-2.8 6,-0.3 6,-0.2 -0.986 38.5-114.7-139.7 150.6 46.5 17.6 20.0 286 290 A T > - 0 0 37 4,-2.5 3,-2.3 -2,-0.3 -48,-0.1 -0.473 44.9-107.3 -68.1 160.9 43.9 20.4 20.1 287 291 A I T 3 S+ 0 0 4 -50,-0.4 -67,-0.4 1,-0.3 -69,-0.3 0.676 122.1 63.9 -71.3 -8.2 42.1 20.4 16.7 288 292 A Q T 3 S- 0 0 98 2,-0.1 -1,-0.3 -71,-0.1 -73,-0.1 0.476 126.4-100.5 -88.6 -0.5 44.1 23.6 15.9 289 293 A G S < S+ 0 0 15 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.409 72.3 144.2 104.8 0.5 47.3 21.5 16.1 290 294 A S - 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0 0 58 -5,-0.4 4,-2.1 1,-0.1 -1,-0.3 -0.771 58.9-164.1-161.1 105.5 53.2 12.2 -0.0 314 318 A L H > S+ 0 0 95 -3,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.732 93.0 57.5 -70.1 -22.4 53.9 8.5 -0.8 315 319 A N H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 108.6 46.1 -69.8 -45.2 57.4 8.8 0.5 316 320 A F H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 107.9 58.8 -60.6 -39.8 56.1 10.0 3.9 317 321 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.918 104.2 50.6 -55.2 -45.4 53.6 7.1 3.7 318 322 A K H X S+ 0 0 87 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.909 109.7 49.8 -60.6 -42.5 56.4 4.6 3.5 319 323 A E H X S+ 0 0 82 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.884 110.2 51.3 -61.3 -38.7 58.0 6.2 6.5 320 324 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.889 107.5 52.6 -68.2 -37.2 54.7 6.0 8.4 321 325 A Y H X S+ 0 0 24 -4,-2.5 4,-2.2 -305,-0.2 5,-0.2 0.946 110.0 48.6 -58.8 -50.7 54.4 2.3 7.5 322 326 A R H X S+ 0 0 128 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 112.5 48.2 -59.0 -39.8 57.9 1.7 8.9 323 327 A E H X S+ 0 0 45 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.872 107.2 55.9 -68.9 -36.1 57.0 3.6 12.1 324 328 A T H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 112.2 43.1 -60.6 -44.7 53.7 1.6 12.4 325 329 A V H < S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 114.0 52.1 -64.6 -45.5 55.7 -1.6 12.4 326 330 A A H < S+ 0 0 72 -4,-2.3 2,-0.8 -5,-0.2 -2,-0.2 0.804 97.6 68.4 -65.8 -32.8 58.4 -0.3 14.7 327 331 A V < + 0 0 25 -4,-2.0 2,-0.4 -5,-0.1 -1,-0.1 -0.795 55.7 161.7-102.6 107.7 56.2 1.0 17.6 328 332 A K - 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