==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-08 3EWD . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR V.L.SCHRAMM,S.C.ALMO,M.B.CASSERA,M.C.HO . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.6 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 3 0 2 1 3 2 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 7 A P 0 0 150 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.0 -25.2 4.8 0.8 2 8 A I - 0 0 36 1,-0.2 2,-1.6 26,-0.0 27,-0.0 0.018 360.0-125.9 -39.0 136.0 -21.7 6.0 -0.2 3 9 A D - 0 0 108 27,-0.0 -1,-0.2 0, 0.0 2,-0.0 -0.661 34.4-153.1 -88.9 83.9 -20.9 9.5 1.1 4 10 A F - 0 0 26 -2,-1.6 26,-0.2 1,-0.1 25,-0.1 -0.323 17.3-109.7 -63.9 136.1 -20.0 10.9 -2.3 5 11 A L - 0 0 1 24,-3.0 2,-0.3 21,-0.2 -1,-0.1 -0.352 30.7-140.2 -63.7 143.1 -17.6 13.8 -2.3 6 12 A K >> - 0 0 58 1,-0.1 3,-1.3 24,-0.1 4,-0.6 -0.766 18.8-116.8-102.7 152.8 -19.0 17.2 -3.3 7 13 A K G >4 S+ 0 0 10 348,-0.3 3,-1.0 -2,-0.3 4,-0.4 0.912 115.3 49.2 -52.3 -46.2 -17.3 19.8 -5.4 8 14 A E G 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.622 108.7 55.4 -70.2 -12.8 -17.2 22.4 -2.6 9 15 A E G X4 S+ 0 0 72 -3,-1.3 3,-1.1 1,-0.1 -1,-0.2 0.487 81.0 86.0 -95.5 -11.8 -15.8 19.8 -0.1 10 16 A L G X< S+ 0 0 10 -3,-1.0 3,-2.1 -4,-0.6 -1,-0.1 0.856 78.8 64.1 -68.4 -36.7 -12.6 18.7 -2.0 11 17 A K G 3 S+ 0 0 122 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.738 96.6 60.3 -58.2 -24.3 -10.4 21.5 -0.7 12 18 A N G < S+ 0 0 120 -3,-1.1 2,-0.5 -4,-0.1 -1,-0.3 0.527 86.6 91.2 -80.6 -5.0 -10.8 20.1 2.8 13 19 A I < - 0 0 40 -3,-2.1 2,-0.8 -4,-0.2 314,-0.1 -0.834 58.1-162.4 -98.1 124.7 -9.3 16.6 1.9 14 20 A D > + 0 0 93 -2,-0.5 3,-1.1 1,-0.2 4,-0.1 -0.821 11.1 176.9-105.1 95.6 -5.5 16.1 2.4 15 21 A L G > S+ 0 0 13 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.735 72.8 70.8 -72.5 -23.3 -4.5 13.1 0.3 16 22 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.709 96.8 51.8 -68.7 -16.5 -0.8 13.5 1.2 17 23 A Q G < S+ 0 0 147 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.349 94.6 98.8 -97.9 9.0 -1.5 12.4 4.8 18 24 A M < - 0 0 45 -3,-1.4 2,-0.1 -4,-0.1 -3,-0.0 -0.654 68.8-125.8-105.9 145.9 -3.4 9.2 3.8 19 25 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.321 39.9-101.6 -70.8 169.0 -2.4 5.6 3.6 20 26 A K H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 125.9 52.7 -58.1 -46.2 -3.1 3.7 0.3 21 27 A K H > S+ 0 0 173 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 109.2 48.6 -56.2 -43.5 -6.1 2.2 1.9 22 28 A E H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.849 108.8 52.8 -68.3 -32.8 -7.4 5.6 3.0 23 29 A R H X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.2 3,-0.3 0.892 105.1 55.3 -66.3 -39.3 -6.9 7.0 -0.5 24 30 A Y H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.848 102.9 56.7 -59.9 -32.1 -8.9 4.1 -2.0 25 31 A K H X S+ 0 0 148 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.2 0.852 109.4 45.3 -65.3 -34.7 -11.7 5.1 0.4 26 32 A I H X S+ 0 0 8 -4,-1.1 4,-0.7 -3,-0.3 -2,-0.2 0.897 109.9 53.2 -73.9 -38.6 -11.5 8.6 -1.2 27 33 A W H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.949 107.5 52.8 -62.3 -42.0 -11.4 7.2 -4.7 28 34 A K H 3< S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 4,-0.2 0.875 105.5 56.2 -54.5 -39.9 -14.6 5.2 -3.9 29 35 A R H 3< S+ 0 0 65 -4,-1.2 -24,-3.0 -5,-0.2 -1,-0.3 0.537 80.7 100.7 -78.9 -7.7 -16.3 8.4 -2.8 30 36 A I S << S- 0 0 1 -3,-1.4 2,-1.4 -4,-0.7 -24,-0.1 -0.703 83.2-124.9 -68.9 124.9 -15.7 10.2 -6.1 31 37 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 84,-0.2 -0.587 40.3-156.3 -73.9 98.8 -19.0 10.0 -8.0 32 38 A K E -a 115 0A 0 82,-2.1 84,-2.7 -2,-1.4 85,-1.8 -0.550 23.6-163.3 -88.9 138.5 -17.5 8.3 -11.1 33 39 A C E -a 117 0A 0 -2,-0.3 2,-0.5 83,-0.2 267,-0.2 -0.973 18.1-166.9-112.4 113.0 -18.9 8.4 -14.7 34 40 A E E +a 118 0A 0 83,-2.6 85,-2.8 -2,-0.6 3,-0.1 -0.895 16.8 174.3-112.5 128.8 -17.2 5.6 -16.6 35 41 A L E + 0 0 0 -2,-0.5 2,-0.4 265,-0.3 -1,-0.1 0.615 66.1 51.9-109.0 -15.4 -17.5 5.5 -20.3 36 42 A H E + 0 0 0 264,-0.2 267,-2.1 233,-0.1 2,-0.3 -0.809 62.1 126.3-136.6 86.7 -15.1 2.6 -21.4 37 43 A C E -ab 120 303A 0 82,-0.6 84,-2.5 -2,-0.4 2,-0.9 -0.937 49.1-137.3-146.9 118.9 -15.5 -0.8 -19.7 38 44 A H E > -a 121 0A 20 265,-3.1 3,-2.0 -2,-0.3 84,-0.2 -0.704 11.7-162.1 -78.8 106.8 -15.9 -4.1 -21.6 39 45 A L G > S+ 0 0 4 82,-2.3 3,-1.7 -2,-0.9 -1,-0.2 0.863 89.9 60.1 -56.2 -37.4 -18.6 -6.0 -19.6 40 46 A D G 3 S+ 0 0 14 81,-0.6 -1,-0.3 1,-0.3 82,-0.1 0.451 113.4 37.8 -75.7 -0.3 -17.5 -9.2 -21.3 41 47 A L G < S+ 0 0 15 -3,-2.0 265,-3.0 262,-0.2 266,-0.8 -0.046 92.7 105.2-133.5 35.0 -14.1 -8.7 -19.8 42 48 A C < + 0 0 7 -3,-1.7 2,-0.3 263,-0.2 64,-0.1 -0.899 47.2 105.6-119.8 99.5 -15.2 -7.3 -16.4 43 49 A F - 0 0 8 -2,-0.6 266,-0.2 267,-0.1 267,-0.2 -0.973 61.9-101.4-158.7 167.6 -14.8 -9.8 -13.6 44 50 A S > - 0 0 44 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.545 37.6-107.8 -84.6 163.8 -12.7 -10.6 -10.5 45 51 A A H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 120.9 54.9 -50.6 -47.5 -10.1 -13.4 -10.3 46 52 A D H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 108.5 47.6 -55.7 -47.4 -12.4 -15.4 -8.1 47 53 A F H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 113.0 48.7 -62.1 -45.9 -15.2 -15.2 -10.8 48 54 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.940 110.4 48.6 -62.8 -51.4 -12.9 -16.2 -13.5 49 55 A V H X S+ 0 0 20 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.920 109.7 53.5 -57.4 -45.9 -11.3 -19.2 -11.8 50 56 A S H X S+ 0 0 72 -4,-2.5 4,-3.4 -5,-0.2 -1,-0.2 0.922 106.5 53.1 -50.1 -47.6 -14.8 -20.6 -10.8 51 57 A C H X S+ 0 0 5 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.931 108.8 49.0 -57.1 -41.9 -15.9 -20.4 -14.4 52 58 A I H <>S+ 0 0 0 -4,-1.7 5,-3.2 1,-0.2 6,-0.4 0.893 115.9 42.6 -67.2 -40.0 -12.8 -22.4 -15.5 53 59 A R H ><5S+ 0 0 85 -4,-2.4 3,-2.8 3,-0.2 -1,-0.2 0.920 106.1 63.0 -69.6 -43.1 -13.5 -25.1 -12.8 54 60 A K H 3<5S+ 0 0 104 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.841 114.7 33.8 -52.2 -39.0 -17.3 -25.1 -13.5 55 61 A Y T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.151 109.1-121.5-105.7 19.8 -16.5 -26.3 -17.0 56 62 A N T < 5 + 0 0 139 -3,-2.8 -3,-0.2 1,-0.1 -2,-0.1 0.876 58.4 153.1 43.0 49.8 -13.4 -28.4 -16.1 57 63 A L < + 0 0 41 -5,-3.2 -4,-0.1 1,-0.2 -1,-0.1 0.760 65.3 22.9 -82.7 -25.7 -11.4 -26.3 -18.6 58 64 A Q > + 0 0 40 -6,-0.4 3,-1.9 3,-0.1 -1,-0.2 -0.383 59.2 160.1-140.6 65.5 -7.9 -26.6 -17.0 59 65 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.689 78.8 55.1 -66.3 -15.6 -7.4 -29.7 -14.8 60 66 A N T 3 S+ 0 0 147 2,-0.1 2,-0.4 0, 0.0 -2,-0.0 0.601 96.3 79.5 -90.3 -9.1 -3.6 -29.5 -15.1 61 67 A L S < S- 0 0 44 -3,-1.9 -3,-0.1 4,-0.0 2,-0.0 -0.817 70.3-134.9-107.2 137.1 -3.3 -25.8 -13.9 62 68 A S > - 0 0 57 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.271 44.2 -95.9 -67.0 166.3 -3.3 -24.4 -10.4 63 69 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.947 127.5 53.2 -51.3 -47.1 -5.4 -21.2 -9.9 64 70 A E H > S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 107.6 48.5 -60.3 -40.8 -2.3 -19.1 -10.4 65 71 A E H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.797 109.5 54.5 -69.7 -29.8 -1.3 -20.8 -13.7 66 72 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.4 5,-0.5 0.953 110.1 45.7 -66.2 -53.6 -4.9 -20.3 -15.0 67 73 A L H X S+ 0 0 31 -4,-2.4 4,-2.1 -5,-0.2 6,-0.3 0.924 115.3 47.9 -51.6 -45.1 -4.8 -16.6 -14.3 68 74 A D H < S+ 0 0 69 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 114.7 45.2 -65.2 -42.9 -1.3 -16.5 -16.0 69 75 A Y H < S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.901 126.2 27.1 -68.4 -42.4 -2.4 -18.5 -19.0 70 76 A Y H < S+ 0 0 0 -4,-2.9 19,-0.3 -5,-0.2 -3,-0.2 0.861 113.4 53.6 -91.9 -38.7 -5.7 -16.6 -19.7 71 77 A L < - 0 0 4 -4,-2.1 236,-0.1 -5,-0.5 237,-0.1 -0.130 65.5-132.4 -99.9-170.3 -5.4 -13.1 -18.3 72 78 A F > + 0 0 5 235,-2.7 3,-2.0 234,-0.2 236,-0.1 -0.007 54.6 131.7-134.2 28.0 -3.0 -10.1 -18.6 73 79 A A T 3 S+ 0 0 42 -6,-0.3 -1,-0.1 1,-0.3 235,-0.1 0.739 80.1 41.3 -64.0 -25.0 -2.4 -9.1 -15.0 74 80 A K T 3 S- 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 234,-0.1 0.292 117.5-114.3-101.6 3.5 1.4 -8.8 -15.4 75 81 A G < - 0 0 29 -3,-2.0 -1,-0.3 202,-0.0 2,-0.2 -0.035 33.0-140.7 87.0 168.0 1.1 -7.2 -18.8 76 82 A G - 0 0 15 200,-2.8 3,-0.1 -4,-0.1 -4,-0.0 -0.792 29.8 -71.4-151.7-161.0 2.2 -8.4 -22.2 77 83 A K S S- 0 0 150 -2,-0.2 2,-0.3 1,-0.2 3,-0.1 0.735 88.6 -49.1 -73.6 -36.3 3.7 -7.7 -25.5 78 84 A S > - 0 0 28 1,-0.1 4,-2.0 198,-0.1 -1,-0.2 -0.974 61.6 -73.5 173.4 172.5 1.1 -5.6 -27.3 79 85 A L H > S+ 0 0 5 -2,-0.3 4,-3.0 198,-0.2 5,-0.2 0.889 125.6 62.4 -63.3 -42.3 -2.5 -5.2 -28.2 80 86 A G H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 107.0 41.7 -46.5 -52.8 -1.9 -8.0 -30.7 81 87 A E H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 111.3 57.7 -63.9 -36.9 -1.1 -10.4 -27.9 82 88 A F H X S+ 0 0 20 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.937 104.0 50.8 -59.7 -44.9 -4.0 -9.0 -25.9 83 89 A V H X S+ 0 0 16 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.888 108.7 54.4 -59.5 -36.3 -6.4 -9.8 -28.7 84 90 A E H X S+ 0 0 96 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.874 108.9 45.8 -65.7 -40.5 -4.9 -13.4 -28.7 85 91 A K H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.785 106.4 59.1 -72.8 -29.0 -5.6 -13.9 -24.9 86 92 A A H X S+ 0 0 8 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.911 102.9 54.4 -62.5 -42.3 -9.2 -12.5 -25.3 87 93 A I H < S+ 0 0 56 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.907 109.8 47.1 -57.1 -40.7 -9.8 -15.3 -27.7 88 94 A K H >< S+ 0 0 58 -4,-1.2 3,-2.5 1,-0.2 -2,-0.2 0.914 105.6 57.3 -66.8 -47.0 -8.6 -17.8 -25.0 89 95 A V H >< S+ 0 0 0 -4,-2.6 3,-2.5 -19,-0.3 -1,-0.2 0.790 86.7 78.6 -55.1 -26.9 -10.7 -16.2 -22.3 90 96 A A G >< + 0 0 0 -4,-1.4 3,-1.2 1,-0.3 -1,-0.3 0.621 69.6 89.0 -64.8 -4.9 -13.8 -16.9 -24.6 91 97 A D G < S+ 0 0 29 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.805 83.1 56.4 -53.9 -29.1 -13.3 -20.5 -23.2 92 98 A I G < S+ 0 0 1 -3,-2.5 2,-2.1 1,-0.2 3,-0.3 0.605 76.8 90.2 -85.4 -12.2 -15.7 -19.3 -20.4 93 99 A F < + 0 0 4 -3,-1.2 38,-0.3 1,-0.2 -1,-0.2 -0.357 50.8 141.8 -78.8 62.7 -18.7 -18.2 -22.5 94 100 A H - 0 0 77 -2,-2.1 2,-0.2 36,-0.1 -1,-0.2 0.767 65.3 -16.4 -79.2 -35.1 -20.1 -21.7 -22.3 95 101 A D S > S- 0 0 31 -3,-0.3 4,-1.0 38,-0.0 -1,-0.1 -0.878 72.8 -90.2-159.4-179.4 -23.8 -20.9 -21.9 96 102 A Y H > S+ 0 0 67 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.685 113.9 64.7 -85.6 -18.5 -26.2 -18.0 -21.1 97 103 A E H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 102.7 47.8 -64.2 -49.6 -26.3 -18.7 -17.3 98 104 A V H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 111.3 53.1 -60.1 -43.3 -22.6 -17.8 -16.9 99 105 A I H X S+ 0 0 7 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.879 109.1 47.2 -53.1 -45.1 -23.2 -14.6 -19.1 100 106 A E H X S+ 0 0 33 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 112.1 50.0 -68.3 -43.4 -26.1 -13.5 -16.9 101 107 A D H X S+ 0 0 64 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 108.5 54.8 -53.4 -45.9 -24.0 -14.1 -13.7 102 108 A L H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 109.3 46.6 -56.7 -49.6 -21.2 -12.1 -15.3 103 109 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.886 111.7 49.4 -63.9 -42.7 -23.4 -9.1 -15.9 104 110 A K H X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.947 114.6 45.8 -58.9 -46.5 -25.0 -9.1 -12.4 105 111 A H H X S+ 0 0 41 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.874 110.8 52.3 -66.2 -38.4 -21.5 -9.3 -10.8 106 112 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 112.9 43.7 -69.6 -48.3 -20.0 -6.6 -13.0 107 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.876 112.7 52.8 -61.4 -43.8 -22.8 -4.1 -12.2 108 114 A F H X S+ 0 0 83 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.932 109.8 48.0 -60.2 -42.5 -22.7 -5.0 -8.5 109 115 A N H X S+ 0 0 50 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.851 109.6 52.5 -70.3 -34.4 -19.0 -4.4 -8.3 110 116 A K H X>S+ 0 0 2 -4,-2.0 5,-2.3 2,-0.2 4,-0.7 0.884 107.3 53.6 -61.8 -39.3 -19.2 -1.1 -10.1 111 117 A Y H ><5S+ 0 0 59 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.965 108.8 47.7 -61.8 -47.1 -21.9 -0.0 -7.6 112 118 A K H 3<5S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.662 106.5 58.8 -69.0 -16.9 -19.6 -0.8 -4.6 113 119 A E H 3<5S- 0 0 26 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.585 120.8-107.5 -86.4 -12.5 -16.7 1.1 -6.3 114 120 A G T <<5 + 0 0 0 -3,-1.6 -82,-2.1 -4,-0.7 2,-0.5 0.723 63.4 154.6 88.8 28.7 -18.8 4.3 -6.4 115 121 A V E < +a 32 0A 2 -5,-2.3 -1,-0.3 -84,-0.2 -82,-0.2 -0.773 16.1 177.9 -81.7 132.2 -19.6 4.4 -10.1 116 122 A V E S+ 0 0 0 -84,-2.7 42,-2.0 -2,-0.5 2,-0.4 0.651 71.8 34.2-107.0 -25.5 -22.9 6.4 -10.6 117 123 A L E S+ac 33 158A 0 -85,-1.8 -83,-2.6 40,-0.2 2,-0.5 -0.984 71.5 179.7-133.7 126.4 -23.0 6.3 -14.3 118 124 A M E -ac 34 159A 0 40,-2.6 42,-2.4 -2,-0.4 2,-0.8 -0.959 16.6-167.9-135.2 113.3 -21.7 3.3 -16.2 119 125 A E E - c 0 160A 0 -85,-2.8 -82,-0.6 -2,-0.5 2,-0.3 -0.896 19.3-167.4 -96.8 105.8 -21.7 2.7 -19.9 120 126 A F E -ac 37 161A 0 40,-2.8 42,-2.0 -2,-0.8 2,-0.3 -0.726 1.2-164.9 -84.2 147.4 -20.8 -0.9 -20.4 121 127 A R E +ac 38 162A 0 -84,-2.5 -82,-2.3 -2,-0.3 -81,-0.6 -0.946 10.9 170.5-127.7 154.1 -19.9 -2.2 -23.8 122 128 A Y E - c 0 163A 0 40,-1.8 42,-2.7 -2,-0.3 -84,-0.0 -0.985 32.5-122.8-155.4 161.7 -19.7 -5.8 -25.1 123 129 A S > - 0 0 4 -2,-0.3 4,-2.8 40,-0.2 5,-0.2 -0.899 19.3-171.1-112.5 104.4 -19.2 -7.6 -28.4 124 130 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.933 87.3 47.8 -61.0 -47.5 -22.1 -10.0 -29.1 125 131 A T H > S+ 0 0 26 39,-0.3 4,-1.0 1,-0.2 8,-0.1 0.876 114.6 49.4 -68.8 -31.6 -20.6 -11.7 -32.1 126 132 A F H >> S+ 0 0 43 38,-0.3 3,-1.4 2,-0.2 4,-0.6 0.992 109.7 47.9 -59.9 -60.6 -17.4 -12.1 -30.1 127 133 A V H 3< S+ 0 0 3 -4,-2.8 4,-0.3 1,-0.3 -2,-0.2 0.709 114.8 51.4 -53.0 -27.1 -19.1 -13.5 -27.0 128 134 A A H 3X>S+ 0 0 9 -4,-1.7 5,-2.1 -5,-0.2 4,-0.7 0.746 89.6 76.7 -82.7 -26.2 -21.0 -15.9 -29.3 129 135 A F H <<5S+ 0 0 84 -3,-1.4 3,-0.5 -4,-1.0 -2,-0.1 0.841 84.5 58.8 -65.5 -39.6 -18.2 -17.5 -31.5 130 136 A K T <5S+ 0 0 63 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.903 126.7 14.3 -62.2 -45.7 -16.6 -20.0 -29.1 131 137 A Y T 45S- 0 0 76 -3,-0.3 -1,-0.3 -38,-0.3 -2,-0.2 0.192 105.7-113.6-113.4 15.6 -19.7 -22.1 -28.5 132 138 A N T <5 + 0 0 144 -4,-0.7 -3,-0.2 -3,-0.5 2,-0.1 0.953 52.1 179.3 48.4 57.1 -21.8 -20.7 -31.3 133 139 A L < - 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0 0 24 -5,-1.5 2,-0.3 -267,-0.2 -1,-0.2 -0.799 55.0-141.9-136.6 174.8 -8.1 -4.3 -11.4 311 317 A N >> - 0 0 44 -2,-0.3 3,-1.5 -3,-0.1 4,-0.9 -0.865 40.2 -88.8-136.7 177.2 -11.1 -2.0 -10.9 312 318 A I H 3> S+ 0 0 0 1,-0.3 4,-1.5 -2,-0.3 3,-0.5 0.823 121.5 60.8 -60.8 -33.9 -11.8 1.7 -11.8 313 319 A N H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.786 95.4 62.7 -68.2 -23.4 -10.3 3.0 -8.5 314 320 A D H <> S+ 0 0 30 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.902 99.9 53.6 -62.5 -42.0 -7.0 1.5 -9.4 315 321 A D H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.5 -2,-0.2 0.948 109.5 47.9 -56.5 -46.5 -6.8 3.8 -12.4 316 322 A Y H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.892 110.3 52.9 -57.4 -43.9 -7.4 6.8 -10.1 317 323 A E H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.947 109.8 47.2 -59.2 -49.9 -4.7 5.6 -7.7 318 324 A E H X>S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.873 111.8 50.2 -58.9 -42.7 -2.1 5.3 -10.5 319 325 A L H X5S+ 0 0 0 -4,-2.2 6,-1.6 -5,-0.2 4,-1.3 0.887 115.5 42.6 -64.1 -42.7 -3.0 8.7 -11.9 320 326 A Y H X5S+ 0 0 49 -4,-2.2 4,-1.2 4,-0.2 -2,-0.2 0.969 119.8 42.8 -64.5 -55.6 -2.7 10.4 -8.4 321 327 A T H <5S+ 0 0 61 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.906 127.3 26.0 -63.0 -42.2 0.5 8.5 -7.4 322 328 A H H <5S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.760 133.1 27.5 -94.2 -30.1 2.4 8.7 -10.7 323 329 A L H < - 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