==== 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 3EWC . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR V.L.SCHRAMM,S.C.ALMO,M.B.CASSERA,M.C.HO . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.8 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 1 1 2 0 2 1 4 2 1 0 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 1 1 1 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 0 160 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.9 -12.7 53.5 1.4 2 8 A I - 0 0 36 1,-0.1 2,-1.3 26,-0.0 110,-0.0 -0.435 360.0-156.4 -73.1 122.4 -14.6 51.3 -1.1 3 9 A D - 0 0 99 -2,-0.4 -1,-0.1 27,-0.0 26,-0.1 -0.680 21.4-155.0 -96.3 84.2 -18.1 52.7 -2.1 4 10 A F - 0 0 31 -2,-1.3 26,-0.2 1,-0.1 25,-0.1 -0.299 17.3-109.9 -66.3 138.2 -19.8 49.5 -3.1 5 11 A L - 0 0 3 24,-2.6 2,-0.3 21,-0.2 -1,-0.1 -0.381 29.7-148.4 -61.6 140.4 -22.7 49.5 -5.5 6 12 A K >> - 0 0 61 1,-0.1 3,-1.2 -2,-0.1 4,-0.8 -0.813 26.3-112.3-108.0 154.3 -26.1 48.8 -4.0 7 13 A K G >4 S+ 0 0 88 -2,-0.3 3,-1.0 349,-0.3 4,-0.4 0.890 117.7 58.1 -52.5 -43.3 -28.9 47.1 -6.0 8 14 A E G 34 S+ 0 0 128 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.793 105.1 50.7 -49.7 -37.7 -30.9 50.3 -6.0 9 15 A E G X4 S+ 0 0 67 -3,-1.2 3,-1.9 1,-0.2 4,-0.4 0.610 83.1 88.2 -84.8 -15.8 -28.1 52.2 -7.7 10 16 A L G X< S+ 0 0 9 -3,-1.0 3,-1.1 -4,-0.8 -1,-0.2 0.806 81.3 60.6 -61.0 -31.0 -27.5 49.8 -10.6 11 17 A K G 3 S+ 0 0 159 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.745 98.4 60.9 -65.4 -22.0 -30.0 51.5 -12.8 12 18 A N G < S+ 0 0 121 -3,-1.9 2,-0.5 -4,-0.1 -1,-0.2 0.559 86.8 88.3 -83.3 -11.0 -28.0 54.8 -12.6 13 19 A I < - 0 0 38 -3,-1.1 2,-0.6 -4,-0.4 315,-0.1 -0.773 53.8-170.0 -94.7 130.2 -24.9 53.4 -14.2 14 20 A D > - 0 0 80 -2,-0.5 3,-1.6 1,-0.1 4,-0.1 -0.851 3.5-177.8-117.6 97.5 -24.4 53.5 -17.9 15 21 A L G > S+ 0 0 14 -2,-0.6 3,-2.0 1,-0.3 -1,-0.1 0.776 75.9 72.0 -62.9 -31.0 -21.4 51.3 -18.8 16 22 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.692 93.0 58.8 -60.8 -17.7 -21.6 52.1 -22.5 17 23 A Q G < S+ 0 0 146 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.443 95.0 87.4 -86.9 -2.5 -20.4 55.7 -21.6 18 24 A M < - 0 0 42 -3,-2.0 2,-0.1 -4,-0.1 -3,-0.0 -0.729 69.6-129.1-110.9 148.5 -17.1 54.5 -20.0 19 25 A S > - 0 0 61 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.326 42.0 -99.8 -76.4 171.3 -13.6 53.7 -21.1 20 26 A K H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.956 126.4 50.8 -60.3 -50.0 -12.1 50.4 -20.0 21 27 A K H > S+ 0 0 182 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.887 112.0 50.3 -52.3 -40.2 -10.1 52.0 -17.2 22 28 A E H >> S+ 0 0 95 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.904 104.6 54.0 -66.5 -44.4 -13.4 53.6 -16.2 23 29 A R H 3X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.3 3,-0.3 0.867 100.4 64.5 -60.2 -33.3 -15.3 50.4 -16.2 24 30 A Y H 3X S+ 0 0 54 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.858 95.3 55.8 -58.6 -36.0 -12.7 49.0 -13.8 25 31 A K H < S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.929 107.6 55.2 -62.6 -42.3 -16.1 46.3 -11.4 28 34 A K H 3< S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.850 104.6 53.1 -58.9 -33.9 -14.1 47.1 -8.2 29 35 A R H 3< S+ 0 0 64 -4,-1.0 -24,-2.6 -3,-0.2 -1,-0.2 0.527 81.5 103.5 -87.6 -5.9 -17.3 48.5 -6.5 30 36 A I S << S- 0 0 2 -3,-1.2 2,-1.0 -4,-0.7 -24,-0.1 -0.631 84.8-120.5 -64.4 125.1 -19.3 45.4 -7.2 31 37 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 84,-0.2 -0.615 39.6-151.1 -76.0 108.9 -19.4 43.7 -3.8 32 38 A K E -a 115 0A 0 82,-2.4 84,-2.8 -2,-1.0 85,-2.0 -0.647 25.5-169.0 -97.2 133.0 -17.7 40.4 -4.8 33 39 A C E -a 117 0A 1 -2,-0.4 2,-0.5 83,-0.2 268,-0.2 -0.959 18.1-168.7-107.6 105.4 -18.1 37.0 -3.3 34 40 A E E +a 118 0A 1 83,-2.8 85,-2.4 -2,-0.6 3,-0.1 -0.883 16.0 171.6-104.9 127.1 -15.4 34.8 -4.9 35 41 A L E + 0 0 0 -2,-0.5 2,-0.5 266,-0.3 -1,-0.1 0.604 64.5 54.5-105.5 -17.0 -15.6 31.0 -4.3 36 42 A H E + 0 0 0 265,-0.2 268,-2.0 234,-0.1 267,-0.4 -0.806 63.6 126.4-131.6 91.9 -12.8 29.6 -6.5 37 43 A C E -ab 120 304A 0 82,-0.6 84,-2.3 -2,-0.5 2,-0.9 -0.930 48.7-135.3-150.6 123.6 -9.3 30.9 -6.1 38 44 A H E > -a 121 0A 19 266,-3.4 3,-2.0 -2,-0.3 84,-0.2 -0.673 12.1-163.9 -81.3 106.0 -6.1 29.0 -5.4 39 45 A L G > S+ 0 0 2 82,-2.4 3,-1.9 -2,-0.9 83,-0.2 0.876 88.1 59.7 -55.9 -42.2 -4.2 30.8 -2.7 40 46 A D G 3 S+ 0 0 6 81,-0.7 -1,-0.3 1,-0.3 82,-0.1 0.574 114.6 36.3 -67.1 -6.7 -1.0 29.0 -3.6 41 47 A L G < S+ 0 0 7 -3,-2.0 266,-2.3 263,-0.2 267,-0.8 0.007 90.6 111.0-132.1 24.6 -1.1 30.4 -7.1 42 48 A C < + 0 0 6 -3,-1.9 2,-0.3 264,-0.2 64,-0.1 -0.833 44.1 111.1-108.4 96.8 -2.5 33.8 -6.2 43 49 A F - 0 0 8 -2,-0.8 2,-0.2 268,-0.1 267,-0.2 -0.980 59.1-110.2-157.0 163.1 0.0 36.6 -6.7 44 50 A S > - 0 0 44 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.638 36.9-110.1 -91.2 162.7 0.9 39.6 -8.8 45 51 A A H > S+ 0 0 29 -2,-0.2 4,-2.5 2,-0.2 5,-0.3 0.883 119.3 54.5 -53.2 -44.1 3.8 39.7 -11.2 46 52 A D H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 110.1 46.5 -61.8 -45.9 5.7 42.1 -9.0 47 53 A F H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 112.4 50.1 -60.4 -42.7 5.3 39.7 -6.0 48 54 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.949 111.9 46.2 -64.0 -50.0 6.4 36.7 -8.0 49 55 A V H X S+ 0 0 18 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.910 109.2 56.9 -58.6 -42.4 9.5 38.3 -9.5 50 56 A S H X S+ 0 0 76 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.920 107.7 48.2 -55.6 -41.4 10.4 39.6 -5.9 51 57 A C H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 110.7 50.0 -66.5 -41.9 10.3 36.0 -4.7 52 58 A I H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 6,-0.3 0.968 116.7 41.0 -60.2 -52.5 12.5 34.7 -7.5 53 59 A R H ><5S+ 0 0 82 -4,-2.9 3,-1.3 3,-0.2 -2,-0.2 0.875 107.8 62.8 -63.3 -38.5 15.1 37.4 -6.9 54 60 A K H 3<5S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.937 115.2 31.9 -52.8 -45.7 14.8 37.0 -3.1 55 61 A Y T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.296 107.4-123.5 -97.7 12.6 16.1 33.5 -3.4 56 62 A N T < 5 + 0 0 127 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.910 58.1 152.4 47.8 48.3 18.3 34.1 -6.4 57 63 A L < + 0 0 43 -5,-2.4 -4,-0.1 1,-0.2 -1,-0.1 0.761 68.1 23.3 -82.3 -26.9 16.5 31.4 -8.3 58 64 A Q > + 0 0 36 -6,-0.3 3,-2.2 1,-0.1 -1,-0.2 -0.378 62.5 156.9-137.0 62.9 17.0 32.8 -11.9 59 65 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.741 77.5 55.7 -67.9 -15.2 20.0 35.0 -12.0 60 66 A N T 3 S+ 0 0 155 -3,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.567 97.2 84.3 -85.8 -6.8 20.4 34.4 -15.8 61 67 A L < - 0 0 34 -3,-2.2 -3,-0.1 4,-0.0 2,-0.0 -0.828 68.2-140.6-109.5 132.4 16.9 35.5 -16.5 62 68 A S > - 0 0 57 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.275 40.8 -97.2 -68.0 170.1 15.4 39.0 -17.0 63 69 A D H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 124.3 51.2 -58.7 -46.3 12.0 39.8 -15.5 64 70 A E H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 111.0 50.1 -59.3 -38.1 10.1 39.1 -18.8 65 71 A E H > S+ 0 0 95 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.873 105.9 54.7 -72.0 -38.5 11.8 35.8 -19.0 66 72 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.965 110.5 46.0 -56.9 -51.5 11.0 34.8 -15.5 67 73 A L H X S+ 0 0 39 -4,-2.1 4,-2.0 1,-0.2 6,-0.3 0.859 115.5 47.3 -59.9 -39.6 7.3 35.4 -16.1 68 74 A D H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 113.5 47.0 -66.7 -44.9 7.5 33.5 -19.4 69 75 A Y H < S+ 0 0 101 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.930 125.2 27.0 -64.5 -46.4 9.4 30.6 -18.0 70 76 A Y H < S+ 0 0 0 -4,-2.6 19,-0.3 -5,-0.2 -3,-0.2 0.841 112.0 58.6 -88.8 -35.8 7.2 30.1 -14.9 71 77 A L < - 0 0 3 -4,-2.0 3,-0.1 -5,-0.4 238,-0.1 -0.298 62.6-134.8-108.3-176.8 3.7 31.4 -15.7 72 78 A F > + 0 0 4 236,-2.7 3,-1.9 235,-0.1 237,-0.1 -0.121 57.3 126.7-126.7 25.9 0.8 30.9 -18.1 73 79 A A T 3 S+ 0 0 40 -6,-0.3 -1,-0.1 1,-0.3 236,-0.1 0.764 80.8 43.4 -66.5 -26.2 -0.1 34.5 -18.9 74 80 A K T 3 S- 0 0 150 1,-0.3 -1,-0.3 -3,-0.1 235,-0.1 0.203 117.9-121.1-100.5 13.4 0.0 33.9 -22.6 75 81 A G < - 0 0 21 -3,-1.9 -1,-0.3 7,-0.0 2,-0.2 0.114 28.2-140.0 71.7 173.5 -1.8 30.7 -22.2 76 82 A G - 0 0 8 201,-1.8 3,-0.1 -4,-0.1 -4,-0.0 -0.805 31.6 -71.6-156.1-165.6 -0.8 27.2 -23.1 77 83 A K S S- 0 0 173 -2,-0.2 2,-0.3 1,-0.1 201,-0.1 0.831 89.4 -40.6 -73.1 -38.6 -1.9 23.9 -24.6 78 84 A S > - 0 0 33 1,-0.1 4,-2.0 146,-0.0 3,-0.2 -0.973 66.4 -71.5-174.1 174.2 -4.0 22.4 -21.9 79 85 A L H > S+ 0 0 8 -2,-0.3 4,-2.0 199,-0.3 5,-0.1 0.794 127.6 61.5 -57.1 -27.8 -4.8 21.6 -18.2 80 86 A G H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.901 103.6 42.6 -70.1 -45.6 -1.8 19.3 -18.8 81 87 A E H > S+ 0 0 79 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.829 111.1 59.6 -68.1 -32.3 0.7 21.9 -19.6 82 88 A F H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.954 102.4 50.6 -58.2 -52.2 -0.7 24.1 -16.8 83 89 A V H X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.882 107.9 54.3 -55.4 -41.8 0.1 21.4 -14.1 84 90 A E H X S+ 0 0 110 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.833 111.5 43.1 -63.9 -35.1 3.7 21.1 -15.4 85 91 A K H X S+ 0 0 32 -4,-1.5 4,-2.2 -3,-0.5 -1,-0.2 0.827 106.9 60.6 -81.1 -30.8 4.3 24.9 -15.0 86 92 A A H X S+ 0 0 9 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.911 102.2 55.6 -56.4 -41.4 2.6 24.9 -11.6 87 93 A I H >< S+ 0 0 39 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.886 106.5 48.4 -58.4 -42.7 5.3 22.5 -10.6 88 94 A K H >< S+ 0 0 73 -4,-1.0 3,-2.4 1,-0.2 -1,-0.2 0.919 104.7 60.2 -61.6 -43.3 8.0 24.9 -11.6 89 95 A V H >< S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.3 -1,-0.2 0.762 83.7 78.3 -58.9 -23.4 6.3 27.7 -9.7 90 96 A A G X< + 0 0 0 -4,-0.9 3,-2.0 -3,-0.5 -1,-0.3 0.649 68.3 91.1 -68.8 -7.1 6.7 25.7 -6.5 91 97 A D G < S+ 0 0 30 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.730 80.5 59.6 -50.2 -23.8 10.3 27.0 -6.7 92 98 A I G < S+ 0 0 0 -3,-2.6 2,-2.4 1,-0.2 3,-0.4 0.633 76.4 87.8 -85.0 -9.7 8.9 29.9 -4.6 93 99 A F < + 0 0 2 -3,-2.0 38,-0.3 1,-0.2 -1,-0.2 -0.236 52.6 141.0 -85.9 52.8 7.7 27.8 -1.6 94 100 A H - 0 0 66 -2,-2.4 2,-0.3 -3,-0.1 -1,-0.2 0.793 65.1 -19.0 -71.3 -34.3 11.2 28.2 -0.2 95 101 A D S > S- 0 0 36 -3,-0.4 4,-1.1 38,-0.0 -1,-0.1 -0.925 73.0 -87.0-162.2-180.0 10.3 28.6 3.5 96 102 A Y H > S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.727 115.7 64.5 -76.9 -20.4 7.5 29.6 5.9 97 103 A E H > S+ 0 0 132 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.963 103.1 43.3 -66.9 -54.2 8.2 33.3 5.7 98 104 A V H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 112.1 57.2 -59.5 -33.2 7.4 33.7 1.9 99 105 A I H X S+ 0 0 7 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.953 108.9 43.5 -67.2 -43.6 4.3 31.5 2.5 100 106 A E H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.897 113.8 52.9 -64.7 -38.9 2.9 33.8 5.2 101 107 A D H X S+ 0 0 67 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.882 107.0 51.7 -61.7 -42.1 3.9 36.8 3.0 102 108 A L H X S+ 0 0 7 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.929 107.4 52.3 -60.3 -45.6 2.0 35.3 0.0 103 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.915 112.6 45.9 -59.7 -40.7 -1.2 34.9 2.2 104 110 A K H X S+ 0 0 53 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.931 113.3 48.2 -65.6 -47.0 -1.0 38.5 3.2 105 111 A H H X S+ 0 0 33 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.938 113.4 48.6 -59.0 -48.3 -0.3 39.8 -0.3 106 112 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.904 113.4 44.7 -62.1 -47.8 -3.2 37.7 -1.6 107 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.937 113.5 51.0 -62.0 -44.8 -5.8 38.8 1.0 108 114 A F H X S+ 0 0 84 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.860 111.0 47.9 -64.9 -37.2 -4.8 42.5 0.7 109 115 A N H X S+ 0 0 40 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.851 108.4 52.9 -72.2 -34.8 -5.1 42.4 -3.1 110 116 A K H X>S+ 0 0 3 -4,-1.8 5,-2.0 -5,-0.2 4,-0.5 0.921 109.7 51.2 -64.9 -41.7 -8.5 40.7 -3.0 111 117 A Y H ><5S+ 0 0 43 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.922 108.5 50.2 -57.6 -46.3 -9.6 43.5 -0.6 112 118 A K H 3<5S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.9 57.9 -66.1 -24.1 -8.4 46.2 -3.0 113 119 A E H 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.597 123.2-102.4 -79.9 -12.0 -10.3 44.6 -5.8 114 120 A G T <<5 + 0 0 0 -3,-1.3 -82,-2.4 -4,-0.5 2,-0.5 0.738 66.9 152.8 94.7 26.4 -13.6 44.9 -4.0 115 121 A V E < +a 32 0A 1 -5,-2.0 -1,-0.3 -84,-0.2 -82,-0.2 -0.804 16.5 174.4 -89.0 128.3 -14.0 41.3 -2.8 116 122 A V E S+ 0 0 0 -84,-2.8 42,-2.2 -2,-0.5 2,-0.4 0.649 71.9 36.5-104.6 -23.6 -16.1 41.1 0.4 117 123 A L E S+ac 33 158A 0 -85,-2.0 -83,-2.8 40,-0.2 2,-0.5 -0.981 70.8 177.6-137.5 118.8 -16.3 37.3 0.8 118 124 A M E -ac 34 159A 0 40,-2.9 42,-2.4 -2,-0.4 2,-0.7 -0.967 16.4-170.1-133.7 114.8 -13.4 35.2 -0.2 119 125 A E E - 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0 0 31 -5,-1.4 2,-0.3 -6,-0.2 -1,-0.2 -0.657 53.9-143.8-126.0-177.1 -5.0 38.7 -13.8 312 318 A N >> - 0 0 35 -2,-0.2 3,-1.6 -3,-0.1 4,-0.8 -0.919 40.6 -88.6-141.6 171.4 -7.4 39.6 -11.0 313 319 A I H >> S+ 0 0 0 -2,-0.3 4,-1.4 1,-0.3 3,-0.6 0.808 120.9 61.6 -52.1 -33.7 -11.1 39.0 -10.4 314 320 A N H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.737 94.6 62.7 -73.1 -20.6 -12.1 42.3 -12.1 315 321 A D H <> S+ 0 0 32 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.879 100.4 53.5 -63.6 -39.2 -10.5 41.1 -15.4 316 322 A D H S+ 0 0 55 -4,-2.3 4,-2.6 2,-0.2 5,-0.6 0.916 111.6 50.3 -61.9 -42.1 -14.4 40.0 -20.1 320 326 A L H X5S+ 0 0 0 -4,-2.4 6,-1.6 1,-0.2 4,-1.4 0.932 115.0 43.4 -62.8 -44.9 -17.9 38.9 -19.2 321 327 A Y H X5S+ 0 0 51 -4,-2.9 4,-0.8 4,-0.2 -2,-0.2 0.938 120.1 41.5 -62.4 -46.8 -19.3 42.5 -19.9 322 328 A T H <5S+ 0 0 57 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.843 127.1 24.9 -76.5 -39.7 -17.3 43.0 -23.1 323 329 A H H <5S+ 0 0 70 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.730 133.1 29.7 -99.8 -25.8 -17.6 39.7 -24.9 324 330 A L H < - 0 0 56 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.684 23.8-106.3-114.2 167.8 -25.1 43.3 -17.1 328 334 A L H > S+ 0 0 8 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.898 122.6 56.3 -56.4 -37.1 -24.5 44.9 -13.6 329 335 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 105.4 50.1 -62.4 -43.1 -27.8 43.2 -12.6 330 336 A D H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 110.3 50.7 -57.0 -50.1 -26.4 39.7 -13.7 331 337 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.839 109.1 49.3 -61.7 -37.8 -23.2 40.3 -11.7 332 338 A M H X S+ 0 0 7 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.872 112.5 50.3 -68.0 -32.9 -25.1 41.3 -8.5 333 339 A K H X S+ 0 0 101 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.925 109.7 48.1 -71.4 -45.2 -27.2 38.2 -8.9 334 340 A M H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 111.1 52.5 -60.4 -40.1 -24.3 35.8 -9.4 335 341 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.871 108.9 48.5 -68.4 -36.6 -22.6 37.3 -6.4 336 342 A E H X S+ 0 0 24 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.893 110.3 51.3 -69.3 -39.7 -25.6 36.8 -4.2 337 343 A W H X S+ 0 0 42 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.908 109.6 51.7 -55.3 -46.5 -25.9 33.2 -5.4 338 344 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.893 110.1 47.6 -62.0 -39.9 -22.3 32.8 -4.5 339 345 A L H >< S+ 0 0 6 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.919 112.9 49.6 -64.1 -42.0 -23.0 34.1 -1.0 340 346 A E H 3< S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.6 41.2 -63.5 -41.1 -26.0 31.8 -0.7 341 347 A K H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.488 89.5 122.7 -85.3 -3.7 -23.8 28.8 -1.8 342 348 A S << - 0 0 7 -4,-0.9 -3,-0.1 -3,-0.5 -307,-0.0 -0.171 61.5-139.2 -57.1 150.7 -20.8 29.9 0.3 343 349 A F + 0 0 26 -308,-0.1 -1,-0.1 -127,-0.0 3,-0.1 0.383 65.8 116.9 -93.2 2.0 -19.4 27.3 2.9 344 350 A M S S- 0 0 14 1,-0.2 5,-0.1 -5,-0.1 -184,-0.0 -0.317 82.2 -77.4 -68.9 153.8 -18.8 30.1 5.5 345 351 A D > - 0 0 88 1,-0.1 4,-1.9 3,-0.1 -1,-0.2 -0.113 42.6-123.5 -48.3 141.0 -20.7 30.2 8.8 346 352 A S H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.804 107.6 60.2 -70.3 -25.4 -24.2 31.5 8.3 347 353 A N H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 108.4 45.7 -59.3 -50.5 -23.9 34.4 10.8 348 354 A I H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 111.7 52.7 -54.7 -42.8 -21.0 35.7 8.7 349 355 A K H X S+ 0 0 37 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.884 107.0 52.5 -66.1 -35.1 -23.2 35.1 5.6 350 356 A D H X S+ 0 0 88 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.925 107.7 50.8 -63.2 -45.8 -26.1 37.1 7.2 351 357 A K H X S+ 0 0 109 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.942 110.0 50.1 -57.7 -48.4 -23.8 40.1 7.9 352 358 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.5 0.889 111.0 48.5 -60.8 -39.1 -22.6 40.2 4.4 353 359 A K H X S+ 0 0 102 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.917 113.2 47.3 -66.5 -44.2 -26.1 40.0 3.0 354 360 A N H < S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.966 116.3 45.7 -56.3 -51.6 -27.2 42.8 5.4 355 361 A L H < S+ 0 0 87 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.898 132.8 7.9 -60.9 -47.1 -24.1 44.9 4.4 356 362 A Y H < 0 0 31 -4,-2.7 -349,-0.3 -5,-0.2 -3,-0.2 0.684 360.0 360.0-115.8 -18.0 -24.2 44.5 0.6 357 363 A F < 0 0 32 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.1 0.220 360.0 360.0-124.3 360.0 -27.2 42.8 -0.7