==== 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 09-APR-07 2PGF . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR E.T.LARSON,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PRO . 359 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.7 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 38.4 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 1 1 2 0 2 2 3 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 5 A Q 0 0 237 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 161.0 14.8 -1.6 15.7 2 6 A E - 0 0 98 2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.721 360.0 -95.7-117.0 169.7 16.7 -0.1 18.6 3 7 A P S S+ 0 0 106 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 0.905 109.7 57.0 -54.6 -43.7 16.0 -0.6 22.3 4 8 A I S S- 0 0 23 26,-0.1 2,-1.2 1,-0.0 -2,-0.2 -0.803 71.7-150.3 -96.5 125.6 14.1 2.6 22.7 5 9 A D - 0 0 108 -2,-0.5 26,-0.1 -4,-0.1 -1,-0.0 -0.750 29.9-144.1 -88.7 88.5 11.0 3.2 20.4 6 10 A F - 0 0 27 -2,-1.2 26,-0.2 1,-0.1 2,-0.2 -0.167 15.9-106.2 -61.5 143.4 11.3 7.0 20.3 7 11 A L - 0 0 0 24,-3.6 2,-0.3 21,-0.2 -1,-0.1 -0.481 29.5-147.1 -69.6 137.8 8.1 9.1 20.3 8 12 A K >> - 0 0 69 -2,-0.2 3,-1.6 1,-0.1 4,-0.8 -0.801 24.3-115.3-101.7 150.4 7.1 10.8 17.0 9 13 A K G >4 S+ 0 0 74 349,-0.3 3,-0.8 -2,-0.3 4,-0.4 0.846 116.5 54.9 -50.7 -38.5 5.3 14.1 16.9 10 14 A E G 34 S+ 0 0 142 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.753 105.0 53.9 -69.4 -25.8 2.2 12.4 15.4 11 15 A E G X4 S+ 0 0 71 -3,-1.6 3,-1.3 1,-0.2 4,-0.4 0.637 84.2 86.1 -81.4 -17.6 2.0 9.9 18.2 12 16 A L G X< S+ 0 0 8 -4,-0.8 3,-1.4 -3,-0.8 -1,-0.2 0.827 81.5 57.8 -62.5 -37.0 1.9 12.4 21.1 13 17 A K G 3 S+ 0 0 175 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.764 102.5 57.2 -64.0 -25.6 -1.8 13.1 21.1 14 18 A N G < S+ 0 0 122 -3,-1.3 2,-0.6 -4,-0.2 -1,-0.3 0.533 86.5 91.6 -83.3 -8.6 -2.5 9.4 21.7 15 19 A I < - 0 0 32 -3,-1.4 2,-0.8 -4,-0.4 315,-0.1 -0.806 58.4-164.8 -94.2 123.6 -0.4 9.2 24.9 16 20 A D > + 0 0 75 -2,-0.6 3,-1.2 1,-0.2 4,-0.4 -0.822 10.7 177.4-111.3 90.7 -2.4 9.8 28.0 17 21 A L G > S+ 0 0 16 -2,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.780 73.8 71.5 -63.0 -29.3 0.0 10.6 30.8 18 22 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.2 -3,-0.1 7,-0.0 0.770 95.2 53.7 -61.4 -26.4 -2.8 11.2 33.3 19 23 A Q G < S+ 0 0 152 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.763 95.4 98.0 -71.9 -25.4 -3.6 7.5 33.3 20 24 A X < - 0 0 47 -3,-1.3 -3,-0.0 -4,-0.4 2,-0.0 -0.393 66.6-133.3 -91.1 140.7 -0.1 6.4 34.2 21 25 A S > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.251 43.9 -99.8 -63.8 167.6 1.8 5.5 37.3 22 26 A K H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 125.1 55.4 -59.7 -43.1 5.2 7.2 37.8 23 27 A K H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 109.8 46.1 -54.6 -46.6 7.0 4.0 36.5 24 28 A E H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.883 109.5 54.3 -68.2 -37.7 4.9 4.1 33.3 25 29 A R H >X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.903 103.6 56.5 -60.8 -40.3 5.5 7.9 32.8 26 30 A Y H 3X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.829 100.5 57.7 -64.0 -30.6 9.3 7.2 33.0 27 31 A K H 3X S+ 0 0 90 -4,-1.2 4,-0.9 -3,-0.3 -1,-0.3 0.852 110.3 45.0 -64.9 -33.3 8.9 4.8 30.1 28 32 A I H < S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.926 107.6 53.2 -56.4 -44.0 10.1 10.2 29.3 30 34 A K H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.841 104.8 55.4 -57.0 -36.7 12.8 7.8 28.1 31 35 A R H 3< S+ 0 0 67 -4,-0.9 -24,-3.6 -3,-0.2 -1,-0.3 0.483 81.1 103.2 -82.3 -4.9 11.1 7.6 24.6 32 36 A I S << S- 0 0 1 -3,-1.4 2,-1.2 -4,-0.5 -24,-0.1 -0.695 82.1-124.9 -72.5 124.9 11.3 11.4 24.2 33 37 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 84,-0.2 -0.642 39.1-154.8 -73.4 99.8 14.2 12.0 21.8 34 38 A K E -a 117 0A 1 82,-2.2 84,-2.7 -2,-1.2 85,-1.8 -0.571 23.2-164.7 -90.9 138.5 16.1 14.3 24.0 35 39 A C E -a 119 0A 0 -2,-0.3 2,-0.5 83,-0.2 268,-0.2 -0.983 17.4-168.7-113.9 112.5 18.6 17.0 23.0 36 40 A E E +a 120 0A 0 83,-2.7 85,-2.6 -2,-0.5 3,-0.1 -0.923 17.4 172.5-113.3 127.0 20.6 18.1 26.1 37 41 A L E + 0 0 0 -2,-0.5 2,-0.4 266,-0.3 -1,-0.1 0.566 66.1 52.5-108.2 -15.1 22.8 21.1 26.1 38 42 A H E + 0 0 0 265,-0.2 268,-1.9 234,-0.1 2,-0.3 -0.816 61.9 126.5-136.9 90.0 23.9 21.6 29.7 39 43 A C E -ab 122 306A 0 82,-0.6 84,-2.2 -2,-0.4 2,-0.9 -0.937 50.1-135.0-146.8 123.2 25.5 18.7 31.5 40 44 A H E > -a 123 0A 19 266,-3.3 3,-1.9 -2,-0.3 84,-0.2 -0.690 12.9-162.6 -82.6 105.4 28.8 18.7 33.3 41 45 A L G > S+ 0 0 2 82,-2.5 3,-1.7 -2,-0.9 83,-0.2 0.862 88.8 59.7 -54.3 -41.0 30.6 15.5 32.2 42 46 A D G 3 S+ 0 0 8 81,-0.6 -1,-0.3 1,-0.3 82,-0.1 0.594 114.7 35.8 -69.5 -10.1 33.0 15.8 35.1 43 47 A L G < S+ 0 0 9 -3,-1.9 266,-2.1 263,-0.2 267,-1.0 -0.149 93.9 107.7-127.8 35.5 30.1 15.7 37.6 44 48 A C < + 0 0 7 -3,-1.7 2,-0.3 264,-0.2 64,-0.1 -0.924 45.8 109.3-118.4 104.2 28.0 13.2 35.5 45 49 A F - 0 0 13 -2,-0.6 267,-0.2 63,-0.1 2,-0.2 -0.982 60.2-103.4-165.6 162.8 27.8 9.8 37.1 46 50 A S > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.506 35.7-111.7 -86.9 162.2 25.6 7.3 38.9 47 51 A A H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.933 119.3 52.2 -54.5 -48.0 25.8 6.5 42.7 48 52 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 110.1 47.4 -60.7 -45.0 27.2 3.1 41.9 49 53 A F H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 111.7 50.3 -62.1 -45.9 29.9 4.4 39.7 50 54 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.957 111.8 46.4 -59.6 -51.7 31.0 7.1 42.2 51 55 A V H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.880 107.6 58.6 -59.3 -39.1 31.2 4.6 45.1 52 56 A S H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.890 106.5 48.7 -56.2 -41.3 33.1 2.2 42.9 53 57 A C H X S+ 0 0 5 -4,-1.8 4,-1.8 -3,-0.4 -2,-0.2 0.926 109.1 51.6 -63.7 -46.0 35.8 4.9 42.4 54 58 A I H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 6,-0.7 0.841 115.1 43.2 -60.8 -35.2 36.0 5.7 46.1 55 59 A R H ><5S+ 0 0 87 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.882 107.2 60.1 -75.8 -41.5 36.5 1.9 46.8 56 60 A K H 3<5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.889 115.8 33.1 -51.9 -45.0 39.0 1.5 43.9 57 61 A Y T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.280 107.3-124.1-100.5 9.6 41.4 4.0 45.4 58 62 A N T < 5 + 0 0 111 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.889 58.3 149.9 50.1 48.9 40.6 3.1 49.0 59 63 A L < + 0 0 45 -5,-2.5 -4,-0.1 1,-0.2 -1,-0.1 0.732 69.4 25.5 -85.3 -25.6 39.7 6.8 49.7 60 64 A Q > + 0 0 37 -6,-0.7 3,-1.9 1,-0.1 -1,-0.2 -0.389 64.2 155.3-137.9 62.6 37.0 6.2 52.4 61 65 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.750 77.6 52.9 -64.2 -25.5 37.7 2.8 54.2 62 66 A N T 3 S+ 0 0 157 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.388 100.3 76.2 -90.7 2.3 35.9 3.9 57.4 63 67 A L S < S- 0 0 43 -3,-1.9 -3,-0.1 2,-0.0 2,-0.1 -0.876 74.9-127.7-114.1 148.2 32.7 5.0 55.6 64 68 A S > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.342 37.1 -96.9 -81.3 169.6 29.9 2.9 54.1 65 69 A D H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 3,-0.1 0.933 126.7 43.3 -53.1 -49.9 28.6 3.2 50.5 66 70 A E H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 110.7 54.2 -68.4 -34.9 25.7 5.5 51.7 67 71 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 106.2 55.0 -65.0 -34.2 27.9 7.5 54.0 68 72 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.921 106.7 49.3 -61.5 -46.7 30.2 8.1 51.0 69 73 A L H X S+ 0 0 39 -4,-1.6 4,-2.1 1,-0.2 6,-0.3 0.893 113.7 46.2 -61.5 -41.5 27.2 9.5 49.0 70 74 A D H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.4 49.4 -66.5 -41.2 26.3 11.8 51.8 71 75 A Y H < S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 125.1 24.4 -67.3 -38.3 29.9 13.0 52.4 72 76 A Y H < S+ 0 0 0 -4,-2.1 19,-0.3 -5,-0.1 -2,-0.2 0.777 111.4 60.4 -99.9 -34.9 30.6 13.8 48.8 73 77 A L < - 0 0 5 -4,-2.1 237,-0.1 -5,-0.3 238,-0.1 -0.237 63.8-132.1-107.0-174.3 27.4 14.6 46.9 74 78 A F > + 0 0 3 236,-3.0 3,-1.6 235,-0.2 237,-0.1 -0.064 55.2 129.4-129.8 29.8 24.5 17.0 46.9 75 79 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -6,-0.3 236,-0.1 0.792 81.2 45.0 -63.8 -31.5 21.4 14.7 46.6 76 80 A K T 3 S- 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 235,-0.1 0.439 112.2-132.8 -89.7 -1.3 19.6 16.3 49.5 77 81 A G < - 0 0 15 -3,-1.6 -1,-0.3 203,-0.0 2,-0.3 -0.295 19.7-132.1 80.3-167.6 20.6 19.8 48.1 78 82 A G - 0 0 11 201,-2.8 3,-0.1 -3,-0.1 -4,-0.0 -0.903 29.3 -76.9-169.3-168.5 22.1 22.7 50.1 79 83 A K S S- 0 0 169 -2,-0.3 2,-0.3 1,-0.1 201,-0.1 0.740 94.0 -18.5 -82.8 -24.5 21.9 26.4 50.8 80 84 A S > - 0 0 32 1,-0.1 4,-1.8 199,-0.1 -1,-0.1 -0.979 66.7 -87.9-169.4 166.7 23.4 27.9 47.7 81 85 A L H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.872 122.4 61.2 -57.5 -40.0 25.5 27.6 44.6 82 86 A G H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 104.2 46.7 -54.2 -46.4 28.5 28.5 46.8 83 87 A E H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 111.0 52.8 -64.4 -41.2 27.9 25.3 48.9 84 88 A F H X S+ 0 0 18 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.927 106.9 51.9 -57.2 -48.5 27.5 23.3 45.7 85 89 A V H X S+ 0 0 11 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.898 110.3 48.7 -58.6 -41.6 30.9 24.5 44.4 86 90 A E H X S+ 0 0 113 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.895 111.7 49.1 -66.5 -38.3 32.6 23.6 47.7 87 91 A K H >X S+ 0 0 43 -4,-2.1 4,-1.2 1,-0.2 3,-1.0 0.912 105.5 57.1 -67.4 -41.9 31.1 20.1 47.7 88 92 A A H 3X S+ 0 0 5 -4,-2.7 4,-1.0 1,-0.3 -1,-0.2 0.843 97.5 63.3 -58.7 -33.5 32.1 19.6 44.0 89 93 A I H 3< S+ 0 0 36 -4,-1.4 3,-0.4 1,-0.2 -1,-0.3 0.868 100.5 53.0 -57.3 -36.9 35.7 20.2 45.1 90 94 A K H X< S+ 0 0 79 -3,-1.0 3,-2.1 -4,-0.8 -1,-0.2 0.881 99.1 62.4 -65.4 -40.8 35.5 17.1 47.3 91 95 A V H >< S+ 0 0 0 -4,-1.2 3,-2.4 -19,-0.3 -1,-0.2 0.794 83.2 78.8 -57.0 -30.7 34.3 15.0 44.4 92 96 A A G >< + 0 0 0 -4,-1.0 3,-1.8 -3,-0.4 -1,-0.3 0.623 68.0 88.6 -57.0 -14.6 37.7 15.6 42.6 93 97 A D G < S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.747 83.3 58.1 -48.0 -27.8 39.1 13.0 45.0 94 98 A I G < S+ 0 0 1 -3,-2.4 2,-1.9 1,-0.2 3,-0.4 0.592 77.9 88.9 -84.9 -9.8 38.1 10.5 42.2 95 99 A F < + 0 0 4 -3,-1.8 38,-0.3 1,-0.2 -1,-0.2 -0.300 50.8 139.0 -84.3 56.0 40.1 12.1 39.5 96 100 A H - 0 0 74 -2,-1.9 2,-0.3 -3,-0.1 -1,-0.2 0.802 66.8 -17.6 -75.1 -34.7 43.1 9.9 40.4 97 101 A D S > S- 0 0 41 -3,-0.4 4,-1.1 38,-0.0 -1,-0.1 -0.905 72.4 -87.7-160.3-177.8 44.3 9.0 37.0 98 102 A Y H > S+ 0 0 68 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.738 115.0 62.8 -80.9 -22.3 43.4 8.9 33.2 99 103 A E H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 105.5 45.0 -66.3 -46.2 41.9 5.5 33.3 100 104 A V H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 111.9 53.4 -67.3 -33.9 39.1 6.5 35.7 101 105 A I H X S+ 0 0 7 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.931 109.6 47.6 -65.1 -45.1 38.5 9.7 33.7 102 106 A E H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.911 113.3 48.6 -58.7 -43.4 38.1 7.6 30.5 103 107 A D H X S+ 0 0 67 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.862 108.6 53.0 -68.2 -38.3 35.7 5.3 32.3 104 108 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.947 111.1 47.7 -59.8 -48.6 33.7 8.2 33.7 105 109 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 111.8 49.4 -58.1 -47.7 33.3 9.5 30.2 106 110 A K H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.931 114.4 43.9 -59.5 -49.6 32.3 6.1 28.8 107 111 A H H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.860 110.3 56.3 -66.5 -35.2 29.7 5.5 31.5 108 112 A A H X S+ 0 0 3 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.948 111.7 42.5 -61.0 -48.3 28.4 9.1 31.2 109 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 113.5 52.0 -62.7 -47.2 27.7 8.7 27.4 110 114 A F H X S+ 0 0 76 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 108.5 50.0 -60.6 -42.5 26.2 5.2 27.8 111 115 A N H X S+ 0 0 36 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.901 109.0 51.8 -65.2 -37.8 23.8 6.2 30.5 112 116 A K H X>S+ 0 0 2 -4,-1.8 5,-2.5 2,-0.2 4,-0.5 0.903 110.1 50.5 -61.5 -42.2 22.6 9.2 28.4 113 117 A Y H ><5S+ 0 0 47 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.938 110.1 49.0 -56.6 -48.9 22.1 6.7 25.5 114 118 A K H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.2 55.5 -61.8 -31.3 20.1 4.4 27.8 115 119 A E H 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.543 122.3-103.9 -80.5 -8.5 18.0 7.4 29.0 116 120 A G T <<5 + 0 0 0 -3,-1.4 -82,-2.2 -4,-0.5 2,-0.5 0.749 65.7 152.1 88.5 26.2 17.0 8.3 25.4 117 121 A V E < +a 34 0A 2 -5,-2.5 -1,-0.3 -84,-0.2 -82,-0.2 -0.791 16.3 176.0 -84.4 128.7 19.2 11.3 24.7 118 122 A V E S+ 0 0 1 -84,-2.7 42,-2.3 -2,-0.5 2,-0.4 0.679 71.5 38.6-104.1 -26.5 19.9 11.5 21.0 119 123 A L E S-ac 35 160A 0 -85,-1.8 -83,-2.7 40,-0.2 2,-0.5 -0.986 71.1-179.7-130.6 120.7 22.0 14.8 21.0 120 124 A X E -ac 36 161A 0 40,-3.1 42,-2.6 -2,-0.4 2,-0.8 -0.966 16.1-171.0-129.5 113.1 24.4 15.4 23.9 121 125 A E E - 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