==== 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 14-JUL-09 3IAR . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,Y.ZHANG,E.HAPKA,W.W.YUE,J.E.BRAY,J.MUNIZ,N.BURGE . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.1 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 2 1 1 1 2 2 1 1 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 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 5 A P 0 0 106 0, 0.0 3,-0.4 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 155.8 -12.5 13.2 -8.7 2 6 A A + 0 0 17 1,-0.3 2,-0.3 299,-0.2 299,-0.0 0.857 360.0 15.1 -63.4 -38.8 -14.4 10.0 -8.6 3 7 A F - 0 0 4 2,-0.1 2,-0.9 315,-0.0 -1,-0.3 -0.807 68.6-176.8-138.4 92.6 -15.2 10.3 -4.9 4 8 A D + 0 0 126 -3,-0.4 86,-0.1 -2,-0.3 3,-0.0 -0.197 55.5 95.9 -87.5 45.5 -14.5 13.9 -3.7 5 9 A K S S- 0 0 69 -2,-0.9 -2,-0.1 1,-0.1 342,-0.1 -0.826 88.9 -61.7-128.5 167.1 -15.4 13.0 -0.1 6 10 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.170 56.7-166.6 -54.7 138.2 -13.4 12.0 3.0 7 11 A K E -a 91 0A 6 83,-1.9 85,-2.9 -3,-0.0 86,-1.2 -0.913 17.6-143.3-126.8 156.2 -11.4 8.8 2.6 8 12 A V E -a 93 0A 0 -2,-0.3 2,-0.4 83,-0.2 280,-0.4 -0.969 14.5-164.5-118.4 130.3 -9.6 6.4 4.8 9 13 A E E +a 94 0A 0 84,-2.3 86,-2.3 -2,-0.4 3,-0.1 -0.983 17.0 166.7-119.8 126.1 -6.4 4.7 3.6 10 14 A L + 0 0 0 -2,-0.4 2,-0.4 84,-0.2 -1,-0.1 0.496 66.5 53.3-112.0 -11.6 -5.0 1.6 5.4 11 15 A H + 0 0 0 277,-0.1 280,-2.0 246,-0.1 2,-0.3 -0.818 66.6 119.7-136.7 91.3 -2.4 0.2 3.0 12 16 A V B -f 291 0B 0 83,-0.4 85,-2.7 -2,-0.4 2,-0.5 -0.949 49.8-134.4-154.8 134.6 0.3 2.6 1.8 13 17 A H B > -b 97 0A 16 278,-3.2 3,-1.0 -2,-0.3 85,-0.2 -0.775 5.1-147.5-100.0 129.4 4.1 2.4 2.2 14 18 A L G > S+ 0 0 1 83,-2.8 3,-1.6 -2,-0.5 84,-0.2 0.912 102.5 50.6 -58.8 -45.7 6.0 5.5 3.3 15 19 A D G 3 S+ 0 0 9 82,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.586 109.6 52.5 -72.8 -9.3 9.0 4.5 1.3 16 20 A G G < S+ 0 0 0 -3,-1.0 278,-2.8 275,-0.2 279,-0.6 0.127 107.4 52.9-103.1 16.7 6.8 4.0 -1.7 17 21 A S S < S+ 0 0 23 -3,-1.6 -2,-0.2 276,-0.2 -1,-0.1 0.210 72.5 137.1-137.8 16.5 5.2 7.5 -1.4 18 22 A I - 0 0 6 -3,-0.2 60,-0.0 -4,-0.1 -3,-0.0 -0.339 59.1-109.0 -74.4 145.0 8.2 9.9 -1.4 19 23 A K >> - 0 0 62 1,-0.1 4,-2.2 -2,-0.1 3,-0.6 -0.535 18.7-136.6 -72.2 133.6 8.1 13.1 -3.4 20 24 A P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 105.4 55.6 -59.1 -35.9 10.4 13.0 -6.4 21 25 A E H 3> S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.854 107.0 50.7 -64.3 -33.7 11.6 16.6 -5.7 22 26 A T H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.922 109.8 49.5 -70.1 -42.2 12.6 15.5 -2.2 23 27 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.947 113.4 47.3 -53.2 -50.7 14.6 12.5 -3.6 24 28 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.932 111.3 51.2 -60.5 -46.4 16.3 14.9 -6.0 25 29 A Y H X S+ 0 0 90 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.931 114.2 41.3 -59.4 -49.4 17.1 17.4 -3.3 26 30 A Y H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.846 110.3 56.9 -72.4 -34.6 18.7 14.9 -0.9 27 31 A G H X>S+ 0 0 3 -4,-2.6 5,-2.3 -5,-0.3 4,-0.8 0.960 114.6 40.2 -57.1 -44.7 20.6 13.0 -3.6 28 32 A R H ><5S+ 0 0 163 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.933 115.6 50.0 -68.3 -45.4 22.2 16.3 -4.5 29 33 A R H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.804 119.2 37.9 -64.6 -32.2 22.7 17.5 -0.9 30 34 A R H 3<5S- 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.445 107.8-119.5 -98.6 -4.7 24.3 14.2 0.2 31 35 A G T <<5 + 0 0 70 -4,-0.8 2,-0.6 -3,-0.6 -3,-0.2 0.853 61.9 148.6 69.7 34.7 26.3 13.6 -3.0 32 36 A I < - 0 0 45 -5,-2.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.903 48.3-118.6-109.5 119.0 24.4 10.3 -3.6 33 37 A A - 0 0 94 -2,-0.6 34,-0.1 -3,-0.1 -5,-0.0 -0.255 29.5-170.0 -65.9 140.2 24.0 9.4 -7.3 34 38 A L - 0 0 37 2,-0.1 30,-0.1 32,-0.1 29,-0.1 -0.887 33.3-115.7-123.4 161.5 20.5 9.1 -8.8 35 39 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.412 96.9 28.1 -85.4 4.1 19.5 7.7 -12.2 36 40 A A - 0 0 24 8,-0.0 -2,-0.1 1,-0.0 6,-0.0 -0.967 64.8-139.1-155.0 163.3 18.1 11.1 -13.4 37 41 A N S S+ 0 0 133 -2,-0.3 2,-0.3 5,-0.0 3,-0.1 0.317 84.1 44.5-113.6 10.1 18.7 14.7 -12.7 38 42 A T S > S- 0 0 66 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.947 84.2-112.5-141.0 163.6 15.1 16.0 -12.6 39 43 A A H > S+ 0 0 14 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.909 118.6 53.4 -61.9 -42.7 11.9 14.8 -11.0 40 44 A E H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 110.8 46.3 -57.6 -44.6 10.4 14.1 -14.4 41 45 A G H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 110.2 53.6 -68.4 -37.1 13.4 12.0 -15.3 42 46 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.923 108.2 49.5 -60.3 -46.0 13.3 10.2 -11.9 43 47 A L H X S+ 0 0 54 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 106.1 57.6 -63.2 -33.6 9.6 9.3 -12.6 44 48 A N H < S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.860 116.8 34.4 -60.7 -35.4 10.6 8.0 -16.0 45 49 A V H < S+ 0 0 43 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.888 127.2 35.1 -82.4 -44.9 13.0 5.6 -14.4 46 50 A I H < S+ 0 0 2 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.796 100.8 86.5 -87.0 -30.9 11.2 4.7 -11.2 47 51 A G < - 0 0 10 -4,-2.2 2,-0.4 -5,-0.4 249,-0.2 -0.192 65.4-138.9 -75.1 161.3 7.6 4.7 -12.3 48 52 A M + 0 0 7 247,-2.3 216,-0.1 1,-0.1 -3,-0.0 -0.990 24.4 169.6-122.6 124.5 5.7 1.8 -13.9 49 53 A D S S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.1 247,-0.0 0.617 73.7 36.0 -98.0 -20.7 3.3 2.2 -16.9 50 54 A K S S- 0 0 156 214,-0.1 -1,-0.1 215,-0.0 2,-0.1 -0.910 95.2 -86.6-135.0 157.0 2.8 -1.5 -17.5 51 55 A P + 0 0 47 0, 0.0 214,-0.2 0, 0.0 213,-0.2 -0.338 48.3 159.0 -65.4 137.3 2.6 -4.7 -15.4 52 56 A L - 0 0 79 212,-2.5 2,-0.3 1,-0.1 213,-0.1 0.046 45.4 -75.9-118.3-119.2 5.7 -6.4 -14.5 53 57 A T > - 0 0 62 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.908 39.6-100.9-138.4 168.0 6.2 -8.8 -11.6 54 58 A L H > S+ 0 0 8 211,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.942 122.0 49.0 -63.2 -44.4 6.5 -8.2 -7.9 55 59 A P H > S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.921 110.2 50.9 -62.3 -38.8 10.3 -8.6 -7.9 56 60 A D H 4 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.899 112.1 48.8 -62.8 -40.2 10.6 -6.2 -10.8 57 61 A F H >< S+ 0 0 7 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.940 108.5 52.5 -57.1 -49.2 8.5 -3.8 -8.8 58 62 A L H >< S+ 0 0 53 -4,-2.9 3,-1.1 1,-0.3 4,-0.3 0.811 99.7 64.6 -62.5 -29.5 10.6 -4.2 -5.6 59 63 A A G >< S+ 0 0 47 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.652 84.0 75.4 -66.9 -17.0 13.7 -3.5 -7.5 60 64 A K G X S+ 0 0 33 -3,-1.8 3,-1.4 -4,-0.4 4,-0.5 0.833 83.5 66.9 -64.7 -29.0 12.5 0.1 -8.2 61 65 A F G X> S+ 0 0 16 -3,-1.1 4,-2.7 -4,-0.4 3,-1.0 0.805 86.2 69.4 -60.4 -32.2 13.3 1.0 -4.6 62 66 A D G <4 S+ 0 0 98 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.778 91.5 61.9 -60.1 -25.1 17.1 0.5 -5.3 63 67 A Y G <4 S+ 0 0 105 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.812 122.2 11.4 -70.3 -33.2 17.1 3.7 -7.5 64 68 A Y T X> S+ 0 0 0 -3,-1.0 3,-1.3 -4,-0.5 4,-0.6 0.662 101.3 83.8-124.9 -22.7 16.1 6.1 -4.8 65 69 A M H >X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 3,-1.5 0.851 85.5 65.1 -59.0 -32.6 16.2 4.7 -1.3 66 70 A P H 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.856 97.7 56.1 -56.1 -33.5 20.0 5.4 -1.0 67 71 A A H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.1 -37,-0.1 0.739 119.8 28.6 -71.0 -17.7 19.2 9.2 -1.2 68 72 A I H X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.6 7,-0.2 0.802 96.8 91.1-112.4 -44.5 16.9 9.0 1.8 69 73 A A T 3< S+ 0 0 0 -4,-2.9 35,-0.2 1,-0.2 34,-0.1 -0.238 92.2 22.9 -55.0 141.0 18.0 6.2 4.0 70 74 A G T 3 S+ 0 0 10 33,-2.8 2,-0.6 1,-0.1 -1,-0.2 0.367 95.6 108.2 85.7 -5.9 20.5 7.2 6.7 71 75 A C <> - 0 0 21 -3,-1.8 4,-2.3 32,-0.2 5,-0.2 -0.902 50.9-163.6-112.1 112.4 19.5 10.8 6.8 72 76 A R H > S+ 0 0 79 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.823 91.5 49.7 -57.9 -38.6 17.6 12.0 9.9 73 77 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 111.1 47.4 -69.6 -43.0 16.4 15.1 8.3 74 78 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.882 110.4 54.2 -64.0 -40.8 15.1 13.4 5.1 75 79 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 -7,-0.2 -2,-0.2 0.965 110.7 43.0 -60.6 -54.2 13.3 10.7 7.2 76 80 A K H X S+ 0 0 55 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.910 114.7 53.7 -58.9 -40.0 11.3 13.1 9.3 77 81 A R H X S+ 0 0 82 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.884 103.3 52.8 -65.5 -42.5 10.6 15.2 6.2 78 82 A I H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.883 110.1 50.5 -64.1 -32.1 9.2 12.4 4.1 79 83 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.929 113.2 44.8 -64.3 -48.1 6.8 11.6 7.0 80 84 A Y H X S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.937 115.7 47.1 -58.8 -50.8 5.7 15.3 7.2 81 85 A E H X S+ 0 0 20 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.830 104.5 62.3 -64.3 -30.5 5.3 15.6 3.4 82 86 A F H X S+ 0 0 8 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.921 106.2 44.2 -61.5 -43.4 3.4 12.3 3.3 83 87 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.927 112.1 53.0 -67.2 -44.5 0.6 13.7 5.4 84 88 A E H X S+ 0 0 57 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.910 112.1 44.9 -57.5 -42.9 0.6 17.0 3.5 85 89 A M H >< S+ 0 0 72 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.880 109.3 54.2 -73.5 -35.3 0.2 15.1 0.2 86 90 A K H ><>S+ 0 0 6 -4,-2.2 5,-1.7 1,-0.2 3,-1.6 0.842 98.3 64.2 -68.6 -28.1 -2.5 12.7 1.4 87 91 A A H ><5S+ 0 0 36 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.889 96.0 60.8 -56.4 -34.6 -4.6 15.7 2.5 88 92 A K T <<5S+ 0 0 148 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.641 98.3 56.7 -71.5 -12.4 -4.8 16.6 -1.2 89 93 A E T < 5S- 0 0 33 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.356 121.5-104.6 -96.6 5.8 -6.5 13.3 -1.9 90 94 A G T < 5 + 0 0 25 -3,-1.7 -83,-1.9 1,-0.3 2,-0.2 0.665 67.9 157.0 78.8 17.5 -9.3 14.0 0.5 91 95 A V E < +a 7 0A 5 -5,-1.7 -1,-0.3 -85,-0.2 -83,-0.2 -0.538 21.6 174.5 -76.2 141.0 -7.9 11.6 3.1 92 96 A V E S+ 0 0 28 -85,-2.9 51,-2.2 1,-0.4 2,-0.3 0.581 72.3 25.9-117.6 -18.1 -8.9 12.1 6.7 93 97 A Y E +ac 8 143A 0 -86,-1.2 -84,-2.3 49,-0.2 -1,-0.4 -0.970 67.2 174.5-146.3 132.9 -7.2 9.1 8.3 94 98 A V E -ac 9 144A 0 49,-2.2 51,-2.6 -2,-0.3 2,-0.6 -1.000 21.8-157.1-140.4 136.5 -4.2 7.1 7.1 95 99 A E E - c 0 145A 0 -86,-2.3 -83,-0.4 -2,-0.4 2,-0.4 -0.969 22.9-164.2-105.1 119.5 -2.1 4.3 8.4 96 100 A V E - c 0 146A 0 49,-2.6 51,-2.2 -2,-0.6 2,-0.3 -0.918 3.2-158.1-111.1 132.3 1.3 4.5 6.7 97 101 A R E +bc 13 147A 0 -85,-2.7 -83,-2.8 -2,-0.4 -82,-0.4 -0.798 20.0 149.0-114.0 152.7 3.7 1.5 6.8 98 102 A Y E - c 0 148A 0 49,-1.8 51,-2.9 -2,-0.3 79,-0.1 -0.976 45.8-106.0-167.7 162.1 7.4 1.1 6.4 99 103 A S > - 0 0 3 -2,-0.3 3,-0.5 49,-0.2 4,-0.4 -0.901 21.7-160.9 -93.8 116.1 10.5 -1.0 7.4 100 104 A P G >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.868 90.9 61.4 -67.3 -30.7 12.5 1.1 9.9 101 105 A H G >4 S+ 0 0 5 48,-0.3 3,-1.0 1,-0.3 5,-0.1 0.857 96.8 59.0 -57.0 -39.8 15.5 -1.2 9.1 102 106 A L G <4 S+ 0 0 23 -3,-0.5 -1,-0.3 1,-0.2 -33,-0.1 0.561 108.6 45.1 -72.3 -4.0 15.4 -0.1 5.5 103 107 A L G <4 S+ 0 0 0 -3,-1.5 -33,-2.8 -4,-0.4 -1,-0.2 0.460 100.5 85.7-112.2 -2.7 15.9 3.5 6.5 104 108 A A << - 0 0 0 -3,-1.0 17,-0.2 -4,-0.6 3,-0.1 -0.470 54.7-161.3 -95.6 166.5 18.7 3.0 9.0 105 109 A N S S+ 0 0 15 15,-2.4 13,-2.4 -2,-0.1 2,-0.3 0.174 74.9 40.8-131.0 19.0 22.5 2.7 8.6 106 110 A S S S+ 0 0 7 14,-1.1 -1,-0.1 11,-0.2 3,-0.1 -0.969 103.0 31.5-158.8 159.4 23.4 1.0 11.9 107 111 A K S S+ 0 0 154 -2,-0.3 2,-0.4 1,-0.2 16,-0.1 0.832 94.8 107.7 53.2 35.5 22.1 -1.8 14.0 108 112 A V - 0 0 9 13,-0.1 -1,-0.2 14,-0.0 49,-0.0 -0.978 67.5-128.7-140.1 125.6 20.7 -3.4 10.9 109 113 A E S S+ 0 0 137 -2,-0.4 2,-0.1 1,-0.2 47,-0.1 -0.975 96.2 21.7-121.7 121.4 22.2 -6.6 9.4 110 114 A P S S- 0 0 62 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.626 97.4-127.5 -77.6 155.5 22.9 -6.4 6.5 111 115 A I > - 0 0 54 -2,-0.1 3,-0.5 4,-0.1 -6,-0.1 -0.515 34.7-126.3 -70.4 130.0 23.1 -2.7 6.2 112 116 A P G > S+ 0 0 15 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.245 75.8 21.2 -81.2 166.0 20.9 -1.8 3.3 113 117 A W G 3 S- 0 0 56 1,-0.3 -2,-0.0 2,-0.0 -11,-0.0 0.704 119.9 -74.2 59.9 26.5 21.5 0.2 0.1 114 118 A N G < S+ 0 0 163 -3,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.771 84.8 164.0 56.6 28.0 25.2 -0.2 0.2 115 119 A Q < - 0 0 35 -3,-1.9 2,-0.2 -4,-0.1 -1,-0.2 -0.483 40.3-121.9 -70.9 145.7 25.5 2.3 3.0 116 120 A A - 0 0 85 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.572 49.1 -85.1 -70.9 150.3 28.6 2.7 5.2 117 121 A E + 0 0 147 -2,-0.2 -11,-0.2 1,-0.1 2,-0.1 -0.389 62.0 167.4 -60.5 128.8 27.8 2.1 8.9 118 122 A G - 0 0 31 -13,-2.4 -1,-0.1 2,-0.2 -14,-0.0 -0.219 47.8 -89.3-119.4-146.9 26.5 5.3 10.4 119 123 A D S S+ 0 0 109 -49,-0.2 2,-0.6 -2,-0.1 -13,-0.1 0.127 85.5 105.0-121.9 18.9 24.8 6.4 13.6 120 124 A L - 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0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.332 46.3-102.6 -57.6 156.7 -8.1 2.8 19.9 333 337 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.836 119.3 56.2 -59.0 -37.3 -11.9 2.5 20.1 334 338 A D H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 111.1 43.2 -60.8 -46.5 -12.4 6.2 21.2 335 339 A E H > S+ 0 0 40 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.818 110.7 57.0 -69.3 -31.1 -10.6 7.5 18.2 336 340 A K H X S+ 0 0 23 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.932 107.4 48.1 -58.7 -47.5 -12.4 5.0 16.0 337 341 A R H X S+ 0 0 148 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.902 111.7 50.0 -60.4 -42.2 -15.7 6.5 17.2 338 342 A E H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.892 112.0 47.5 -61.2 -43.8 -14.4 10.0 16.5 339 343 A L H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 112.5 48.9 -65.5 -43.9 -13.3 9.0 13.0 340 344 A L H X S+ 0 0 10 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.911 109.6 52.4 -62.1 -40.8 -16.6 7.4 12.3 341 345 A D H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.910 108.2 51.3 -63.2 -39.0 -18.5 10.4 13.6 342 346 A L H X S+ 0 0 75 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.929 112.6 46.1 -63.6 -42.9 -16.4 12.6 11.2 343 347 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-0.2 0.928 110.5 51.6 -66.5 -44.8 -17.3 10.3 8.3 344 348 A Y H X>S+ 0 0 8 -4,-3.2 5,-2.6 1,-0.2 4,-0.7 0.946 112.5 47.4 -56.3 -46.7 -21.1 10.2 9.2 345 349 A K H ><5S+ 0 0 131 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.925 113.5 46.3 -62.2 -43.4 -21.1 14.0 9.4 346 350 A A H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.8 47.0 -65.5 -33.2 -19.3 14.4 6.0 347 351 A Y H 3<5S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.446 112.3-117.0 -88.2 -4.9 -21.6 11.8 4.4 348 352 A G T <<5 + 0 0 72 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.777 66.3 142.2 69.1 29.0 -24.8 13.3 5.8 349 353 A M < - 0 0 60 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.733 65.9 -93.8 -96.9 152.3 -25.6 10.1 7.8 350 354 A P > - 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.471 37.1-158.3 -70.2 114.7 -27.2 10.6 11.3 351 355 A P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.887 84.9 43.1 -71.0 -36.0 -24.3 10.5 13.6 352 356 A S H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.963 116.9 45.8 -68.9 -53.0 -26.0 9.6 16.9 353 357 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 113.6 50.9 -58.1 -36.5 -28.2 6.9 15.3 354 358 A S H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.919 110.2 48.5 -68.0 -44.6 -25.2 5.5 13.4 355 359 A A H X S+ 0 0 48 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.855 111.1 51.9 -59.6 -38.2 -23.1 5.3 16.6 356 360 A G H >< S+ 0 0 40 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.902 106.2 52.4 -69.1 -39.5 -26.0 3.6 18.4 357 361 A Q H >< S+ 0 0 140 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.891 103.7 60.4 -58.6 -38.3 -26.3 1.0 15.6 358 362 A N H 3< S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 85.0 75.2 -67.3 -21.0 -22.6 0.3 16.1 359 363 A L T << 0 0 157 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.725 360.0 360.0 -60.9 -21.4 -23.1 -0.7 19.7 360 364 A A < 0 0 131 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.794 360.0 360.0 -79.5 360.0 -24.5 -4.0 18.3