==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-02 1NDW . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.KINOSHITA . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.6 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 . 1 0.3 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 1 1 2 1 1 2 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 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 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 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 4 A T 0 0 175 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.3 56.1 34.2 42.8 2 5 A P - 0 0 61 0, 0.0 3,-0.4 0, 0.0 301,-0.0 -0.096 360.0-139.6 -48.3 137.6 58.0 36.4 40.2 3 6 A A S S+ 0 0 15 1,-0.3 2,-0.2 299,-0.2 299,-0.0 0.784 94.6 20.5 -71.3 -25.1 58.9 34.4 37.1 4 7 A F S S- 0 0 5 2,-0.1 2,-1.7 315,-0.0 -1,-0.3 -0.798 70.3-174.1-149.0 86.3 62.3 36.1 36.8 5 8 A D + 0 0 124 -3,-0.4 86,-0.1 -2,-0.2 3,-0.0 -0.293 53.8 89.9 -86.6 57.9 63.5 37.7 40.1 6 9 A K S S- 0 0 70 -2,-1.7 -2,-0.1 342,-0.0 342,-0.1 -0.909 89.3 -67.0-140.7 167.8 66.5 39.3 38.8 7 10 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.304 55.2-170.3 -58.2 144.4 67.3 42.7 37.2 8 11 A K E -a 92 0A 12 83,-2.1 85,-2.3 318,-0.0 86,-0.9 -0.859 18.5-137.7-126.9 172.2 65.8 43.4 33.7 9 12 A V E -a 94 0A 0 -2,-0.3 2,-0.5 83,-0.2 280,-0.3 -0.983 15.6-159.6-127.2 139.9 66.0 45.9 30.9 10 13 A E E +a 95 0A 0 84,-2.4 86,-2.3 -2,-0.4 3,-0.1 -0.981 18.8 169.0-128.8 125.4 63.0 47.2 29.0 11 14 A L E + 0 0 0 -2,-0.5 2,-0.3 278,-0.2 -1,-0.1 0.538 65.9 55.3-111.2 -5.0 63.0 48.7 25.6 12 15 A H E + 0 0 0 277,-0.1 280,-2.2 246,-0.1 2,-0.3 -0.690 63.0 118.6-135.7 91.1 59.4 49.0 24.6 13 16 A V E -ab 97 292A 0 83,-0.6 85,-2.5 -2,-0.3 2,-0.6 -0.995 49.4-134.8-154.2 131.9 56.9 50.8 26.8 14 17 A H E > -a 98 0A 21 278,-3.4 3,-1.8 -2,-0.3 85,-0.2 -0.809 7.0-145.7 -97.2 127.9 54.8 53.9 26.1 15 18 A L G > S+ 0 0 3 83,-2.4 3,-2.1 -2,-0.6 -1,-0.2 0.889 100.1 54.8 -52.7 -42.7 54.7 56.6 28.8 16 19 A D G 3 S+ 0 0 13 82,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.595 108.4 48.2 -71.5 -11.4 51.0 57.4 27.8 17 20 A G G < S+ 0 0 0 -3,-1.8 278,-1.3 275,-0.2 279,-0.5 0.081 104.3 63.2-109.4 22.7 50.0 53.9 28.2 18 21 A A < + 0 0 1 -3,-2.1 2,-0.3 276,-0.2 -1,-0.1 -0.395 69.3 131.4-145.0 50.4 51.8 53.6 31.7 19 22 A I - 0 0 4 -3,-0.2 3,-0.0 64,-0.0 60,-0.0 -0.837 59.9-112.2-102.4 140.4 49.9 56.1 33.9 20 23 A K >> - 0 0 67 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 -0.614 16.8-136.6 -69.0 125.1 48.5 55.4 37.4 21 24 A P H 3> S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.918 106.0 62.2 -49.3 -40.0 44.7 55.4 37.5 22 25 A E H 3> S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.911 104.0 45.2 -56.9 -37.7 45.1 57.3 40.7 23 26 A T H <> S+ 0 0 3 -3,-0.7 4,-2.3 2,-0.2 5,-0.4 0.885 109.1 54.6 -74.8 -29.1 46.9 60.2 39.0 24 27 A I H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.998 111.1 48.1 -61.3 -52.9 44.4 60.2 36.1 25 28 A L H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 5,-0.4 0.885 108.6 54.5 -48.4 -48.9 41.7 60.6 38.8 26 29 A Y H X S+ 0 0 87 -4,-2.3 4,-3.8 -5,-0.2 -1,-0.2 0.967 115.4 34.5 -53.1 -58.6 43.5 63.3 40.5 27 30 A Y H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 6,-0.4 0.911 117.1 56.2 -66.1 -36.2 44.0 65.6 37.6 28 31 A G H >X>S+ 0 0 0 -4,-3.4 5,-2.6 -5,-0.4 3,-1.2 0.987 115.3 37.5 -53.3 -65.7 40.6 64.6 36.2 29 32 A K H ><5S+ 0 0 138 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.934 118.5 49.5 -42.9 -61.8 39.0 65.6 39.4 30 33 A R H 3<5S+ 0 0 141 -4,-3.8 -1,-0.2 -5,-0.4 -2,-0.2 0.567 120.0 36.4 -60.1 -17.1 41.2 68.6 39.9 31 34 A R H <<5S- 0 0 103 -4,-1.7 -1,-0.2 -3,-1.2 -2,-0.2 0.270 107.1-114.8-115.1 -5.1 40.7 70.0 36.4 32 35 A G T <<5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-1.0 -4,-0.1 0.863 68.0 138.6 64.1 35.4 37.1 69.2 35.8 33 36 A I < - 0 0 48 -5,-2.6 -4,-0.1 -6,-0.4 -5,-0.1 0.996 51.9-128.7 -78.2 -53.4 37.7 66.7 33.1 34 37 A A - 0 0 87 -9,-0.1 4,-0.1 3,-0.1 -9,-0.0 0.842 18.0-154.5 104.8 76.3 35.3 63.8 33.8 35 38 A L - 0 0 21 2,-0.1 30,-0.1 1,-0.1 29,-0.1 -0.155 30.1-111.7 -67.8 151.7 36.2 60.3 33.9 36 39 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.369 100.3 11.2 -58.8 2.2 34.0 57.2 33.3 37 40 A A - 0 0 15 1,-0.0 -2,-0.1 -12,-0.0 -3,-0.1 -0.934 66.4-131.1-176.8 146.0 34.3 56.4 37.0 38 41 A D S S+ 0 0 101 -2,-0.3 3,-0.1 -4,-0.1 -1,-0.0 0.496 75.3 62.6-118.6 20.0 35.4 57.8 40.3 39 42 A T S >> S- 0 0 64 1,-0.1 4,-2.0 -14,-0.0 3,-0.8 -0.944 80.3-115.7-121.5 153.2 37.6 55.5 42.2 40 43 A P H 3> S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.934 113.4 52.2 -39.5 -58.4 41.0 54.2 41.2 41 44 A E H 3> S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.789 109.2 47.8 -55.8 -35.2 39.9 50.7 41.1 42 45 A E H <> S+ 0 0 96 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.960 109.3 51.7 -70.1 -49.0 36.9 51.3 38.8 43 46 A L H >X>S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.8 0.986 107.0 57.2 -44.1 -64.0 38.8 53.4 36.2 44 47 A Q H 3X5S+ 0 0 44 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.856 109.2 41.2 -38.3 -53.9 41.4 50.7 36.1 45 48 A N H 3<5S+ 0 0 103 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.818 115.3 52.8 -78.9 -16.3 39.0 48.0 35.1 46 49 A I H <<5S+ 0 0 48 -4,-2.3 -2,-0.2 -3,-0.8 -3,-0.2 0.952 119.2 33.1 -64.2 -59.8 37.1 50.4 32.6 47 50 A I H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.935 110.1 85.1 -63.3 -42.7 40.4 51.5 30.7 48 51 A G << - 0 0 7 -4,-2.4 2,-0.4 -5,-0.6 249,-0.2 0.107 68.7-149.9 -44.9 158.8 41.9 48.1 31.2 49 52 A M + 0 0 8 247,-1.6 216,-0.1 1,-0.1 -3,-0.1 -0.981 29.9 174.6-138.2 153.1 41.2 45.2 29.0 50 53 A D S S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.2 247,-0.0 0.354 70.9 48.8-133.6 8.1 40.9 41.5 28.9 51 54 A K S S- 0 0 147 215,-0.0 -1,-0.2 214,-0.0 214,-0.1 -0.984 89.8 -90.6-129.2 152.8 39.8 40.7 25.4 52 55 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 214,-0.2 -0.121 51.9-171.5 -41.2 147.6 40.8 41.6 22.0 53 56 A L - 0 0 52 212,-0.2 -4,-0.0 213,-0.2 0, 0.0 -0.948 27.8 -83.2-139.5 154.4 39.0 44.6 20.7 54 57 A T > - 0 0 76 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.363 40.3-116.7 -55.5 154.7 38.4 46.6 17.8 55 58 A L H > S+ 0 0 81 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 116.7 52.3 -49.9 -54.2 40.9 49.2 16.9 56 59 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.937 110.5 49.1 -50.9 -49.9 38.2 52.0 17.4 57 60 A D H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.906 111.8 49.2 -55.8 -44.7 37.4 50.6 20.8 58 61 A F H >X S+ 0 0 44 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.992 111.5 47.3 -59.2 -52.5 41.2 50.4 21.7 59 62 A L H >X S+ 0 0 92 -4,-3.0 3,-1.6 1,-0.2 4,-0.7 0.892 100.4 66.9 -56.5 -36.2 41.9 54.0 20.6 60 63 A A H >X S+ 0 0 47 -4,-2.2 4,-1.5 -5,-0.3 3,-0.9 0.845 85.9 72.2 -57.2 -27.7 38.9 55.3 22.5 61 64 A K H X S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.1 4,-0.6 0.895 106.6 68.7-104.5 -41.4 42.0 59.3 30.0 66 69 A M H >X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 3,-1.3 0.839 91.2 62.3 -49.5 -41.6 44.3 61.6 28.0 67 70 A P H 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.850 95.5 65.4 -56.5 -27.1 42.5 64.9 28.4 68 71 A A H <4 S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.2 7,-0.1 0.832 118.5 20.3 -61.9 -34.9 43.1 64.6 32.2 69 72 A I H X< S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.6 7,-0.2 0.790 99.3 94.1-103.2 -39.3 46.9 64.9 31.7 70 73 A A T 3< S+ 0 0 0 -4,-2.7 35,-0.2 1,-0.2 34,-0.1 -0.265 94.6 19.1 -52.1 139.2 47.5 66.5 28.3 71 74 A G T 3 S+ 0 0 7 33,-2.8 2,-0.8 1,-0.1 -1,-0.2 0.271 98.7 107.5 87.0 -13.5 47.9 70.2 28.6 72 75 A C X> - 0 0 17 -3,-2.1 4,-1.7 1,-0.2 3,-0.6 -0.829 53.2-160.9-103.2 95.4 48.7 70.2 32.3 73 76 A R H 3> S+ 0 0 79 -2,-0.8 4,-2.4 1,-0.2 3,-0.3 0.813 89.3 54.1 -31.0 -52.8 52.3 70.9 33.2 74 77 A D H 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 112.9 43.4 -49.9 -51.2 52.1 69.4 36.7 75 78 A A H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.721 107.3 56.4 -78.7 -28.4 50.8 66.2 35.5 76 79 A I H X S+ 0 0 1 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.2 0.960 113.5 42.9 -64.7 -46.9 53.1 65.7 32.5 77 80 A K H X S+ 0 0 62 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.924 114.6 53.4 -67.9 -30.8 56.1 66.0 34.9 78 81 A R H X S+ 0 0 70 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.927 103.2 52.2 -71.1 -37.9 54.3 63.8 37.3 79 82 A I H X S+ 0 0 3 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.860 109.2 52.6 -60.6 -33.6 53.5 60.9 35.0 80 83 A A H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.928 111.9 44.0 -71.5 -42.7 57.2 60.8 34.1 81 84 A Y H X S+ 0 0 66 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.949 115.2 49.7 -62.1 -48.0 58.4 60.6 37.8 82 85 A E H X S+ 0 0 24 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.830 103.4 60.3 -62.7 -35.0 55.8 58.1 38.6 83 86 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.932 104.8 48.6 -55.2 -42.3 56.7 56.0 35.6 84 87 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.957 107.0 55.5 -73.3 -37.8 60.2 55.5 36.9 85 88 A E H X S+ 0 0 61 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.926 107.1 52.1 -50.4 -40.0 58.9 54.6 40.3 86 89 A M H X S+ 0 0 50 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.919 105.6 52.1 -66.8 -40.5 56.9 51.9 38.6 87 90 A K H <>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 4,-0.4 0.899 103.0 61.5 -71.4 -28.4 59.8 50.4 36.8 88 91 A A H ><5S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.967 101.3 51.0 -50.5 -51.6 61.7 50.2 40.1 89 92 A K H 3<5S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 105.6 57.1 -66.4 -23.3 59.1 47.8 41.6 90 93 A D T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.448 115.9-112.7 -80.8 -0.3 59.4 45.6 38.5 91 94 A G T < 5 + 0 0 29 -3,-1.7 -83,-2.1 -4,-0.4 2,-0.4 0.683 61.3 153.9 86.1 21.8 63.1 45.2 39.0 92 95 A V E < -a 8 0A 3 -5,-1.9 -1,-0.3 -85,-0.2 -83,-0.2 -0.667 27.2-175.4 -90.6 136.4 64.3 47.0 35.9 93 96 A V E S+ 0 0 34 -85,-2.3 51,-2.7 -2,-0.4 2,-0.3 0.559 76.7 21.1 -98.2 -10.7 67.8 48.6 35.9 94 97 A Y E +ac 9 144A 0 -86,-0.9 -84,-2.4 49,-0.2 2,-0.3 -0.940 67.0 171.3-159.9 129.2 67.5 50.4 32.4 95 98 A V E -ac 10 145A 0 49,-2.1 51,-2.3 -2,-0.3 2,-0.5 -0.998 23.6-149.0-143.2 141.7 64.4 51.3 30.5 96 99 A E E - c 0 146A 0 -86,-2.3 -83,-0.6 -2,-0.3 2,-0.4 -0.988 23.2-163.2-107.8 124.3 63.8 53.3 27.3 97 100 A V E -ac 13 147A 0 49,-2.4 51,-2.3 -2,-0.5 2,-0.3 -0.873 4.1-161.4-110.7 147.0 60.3 55.0 27.5 98 101 A R E +ac 14 148A 0 -85,-2.5 -83,-2.4 -2,-0.4 -82,-0.4 -0.894 19.0 146.7-129.7 151.3 58.5 56.4 24.5 99 102 A Y E - c 0 149A 1 49,-1.8 51,-2.0 -2,-0.3 79,-0.1 -0.978 44.8-105.4-169.0 160.8 55.8 58.8 23.8 100 103 A S - 0 0 3 -2,-0.3 4,-0.4 49,-0.2 3,-0.2 -0.865 22.3-160.9 -97.7 118.4 54.5 61.4 21.3 101 104 A P S > S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.770 87.5 63.6 -65.4 -31.5 55.0 64.8 22.6 102 105 A H G > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 5,-0.1 0.920 96.4 62.5 -54.2 -37.8 52.6 66.4 20.2 103 106 A L G 3 S+ 0 0 20 1,-0.3 -1,-0.2 -3,-0.2 -33,-0.1 0.670 103.5 44.8 -75.9 -7.5 49.9 64.3 21.9 104 107 A L G < S+ 0 0 4 -3,-0.8 -33,-2.8 -4,-0.4 -1,-0.3 0.378 99.2 99.3-101.0 -2.6 50.4 65.9 25.4 105 108 A A < + 0 0 0 -3,-1.8 17,-0.2 -4,-0.4 3,-0.1 -0.491 44.6 179.9 -86.6 149.5 50.4 69.4 23.9 106 109 A N + 0 0 16 15,-2.2 13,-1.1 -2,-0.2 2,-0.3 0.086 68.3 56.3-129.2 14.9 47.6 71.9 23.6 107 110 A S S S+ 0 0 17 14,-1.3 -1,-0.2 11,-0.2 13,-0.1 -0.989 103.9 12.5-154.1 149.3 49.4 74.7 21.8 108 111 A K S S+ 0 0 174 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.934 98.6 112.0 44.4 50.1 51.4 75.1 18.6 109 112 A V - 0 0 10 -3,-0.1 -1,-0.2 13,-0.1 49,-0.0 -0.902 62.3-132.0-151.4 117.7 50.0 71.7 17.5 110 113 A E S S+ 0 0 167 -2,-0.3 2,-0.1 1,-0.3 -3,-0.0 -0.970 93.5 24.3-129.3 124.0 47.5 71.2 14.6 111 114 A P S S- 0 0 75 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.711 96.3-132.5 -68.9 151.6 45.2 69.5 14.9 112 115 A I > - 0 0 57 -2,-0.1 3,-0.6 4,-0.1 4,-0.1 -0.472 33.2-114.2 -57.8 124.8 45.1 69.9 18.7 113 116 A P G > S+ 0 0 11 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.278 81.0 9.0 -71.9 161.1 44.7 66.4 20.2 114 117 A W G 3 S- 0 0 51 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.829 119.5 -72.5 58.1 26.6 41.8 64.9 22.1 115 118 A N G < S+ 0 0 152 -3,-0.6 -1,-0.3 1,-0.2 2,-0.1 0.829 83.8 165.9 57.9 31.3 39.5 67.8 21.5 116 119 A Q < - 0 0 30 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.1 -0.454 37.7-119.5 -74.3 150.6 41.3 70.0 23.8 117 120 A A - 0 0 85 -2,-0.1 2,-1.0 -3,-0.1 -1,-0.1 -0.402 46.4 -81.7 -77.2 173.1 40.8 73.6 23.8 118 121 A E + 0 0 148 -2,-0.1 -11,-0.2 2,-0.1 -1,-0.1 -0.552 60.6 157.8 -81.3 109.9 43.8 75.7 23.1 119 122 A G - 0 0 30 -13,-1.1 -1,-0.1 -2,-1.0 -48,-0.0 0.100 49.4 -94.8 -99.6-136.5 46.1 76.3 25.9 120 123 A D S S+ 0 0 110 -49,-0.2 2,-0.7 -13,-0.1 -13,-0.1 0.066 75.8 113.4-129.8 27.1 49.7 77.3 26.1 121 124 A L - 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0 0 114 -2,-0.4 3,-1.2 4,-0.1 -6,-0.1 -0.830 15.3-136.7 -87.6 118.8 45.7 34.3 17.9 271 274 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.707 97.4 65.9 -40.3 -40.4 45.7 32.0 20.9 272 275 A D T 3 S+ 0 0 134 2,-0.1 2,-0.3 -3,-0.0 -2,-0.0 0.067 96.8 62.4 -71.3 19.5 45.4 28.9 18.6 273 276 A T S < S- 0 0 59 -3,-1.2 3,-0.1 -2,-0.0 0, 0.0 -0.997 96.9 -83.8-144.3 151.1 48.8 29.2 17.0 274 277 A E - 0 0 97 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.165 50.2-116.0 -44.7 127.7 52.4 29.2 18.2 275 278 A H >> - 0 0 5 1,-0.1 3,-1.6 -4,-0.1 4,-1.0 -0.570 19.8-122.5 -64.4 137.7 53.4 32.6 19.4 276 279 A A H 3> S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.784 105.9 68.2 -52.9 -24.8 56.1 34.2 17.3 277 280 A V H 3> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.869 93.3 56.8 -69.1 -27.7 58.4 34.5 20.4 278 281 A I H <> S+ 0 0 39 -3,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.945 106.4 48.7 -68.1 -34.2 58.8 30.9 20.6 279 282 A R H X S+ 0 0 98 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.967 112.5 49.6 -63.8 -46.7 60.1 30.7 17.1 280 283 A F H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.934 110.0 50.8 -52.6 -45.4 62.4 33.5 17.9 281 284 A K H ><5S+ 0 0 48 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.988 112.8 45.8 -58.2 -47.7 63.6 31.7 21.1 282 285 A N H 3<5S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 113.2 48.5 -66.7 -28.4 64.3 28.5 19.1 283 286 A D T 3<5S- 0 0 72 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.207 109.5-123.0 -88.9 6.0 66.1 30.4 16.3 284 287 A Q T < 5 + 0 0 108 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.874 47.7 174.9 53.2 40.0 68.1 32.3 18.8 285 288 A V < - 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0 0 12 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.2 -0.780 51.2-158.5-124.2 170.6 50.0 44.4 33.6 300 303 A T >> - 0 0 66 -2,-0.2 3,-1.8 -3,-0.1 4,-0.8 -0.901 52.6 -83.3-137.4 174.2 53.4 44.9 35.0 301 304 A L H 3> S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 3,-0.2 0.861 124.8 63.5 -45.3 -31.9 56.6 43.5 33.5 302 305 A D H 3> S+ 0 0 47 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.847 91.1 67.7 -70.4 -23.5 56.2 40.2 35.4 303 306 A T H <> S+ 0 0 42 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.958 101.9 45.7 -56.2 -42.9 53.0 39.5 33.5 304 307 A D H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.2 -1,-0.2 0.882 115.3 45.9 -65.0 -41.9 55.0 39.2 30.3 305 308 A Y H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.886 110.4 53.4 -74.8 -29.4 57.5 37.0 31.9 306 309 A Q H X>S+ 0 0 49 -4,-3.5 4,-2.6 -5,-0.2 5,-0.6 0.932 108.0 53.1 -67.3 -34.9 54.8 34.9 33.7 307 310 A M H X5S+ 0 0 29 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.981 112.6 40.9 -60.3 -47.3 53.1 34.3 30.3 308 311 A T H X5S+ 0 0 0 -4,-2.0 6,-1.9 -5,-0.2 4,-0.6 0.932 118.2 46.0 -77.1 -36.7 56.2 33.0 28.6 309 312 A K H >X5S+ 0 0 79 -4,-2.6 4,-1.1 4,-0.2 3,-0.6 0.983 125.1 33.4 -54.3 -55.0 57.4 30.9 31.6 310 313 A K H 3<5S+ 0 0 111 -4,-2.6 3,-0.2 -5,-0.3 -3,-0.2 0.973 127.8 31.3 -66.5 -60.3 54.0 29.5 32.2 311 314 A D H 3< - 0 0 78 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.459 25.5-108.2-102.7 173.7 63.7 29.1 31.1 316 319 A E H > S+ 0 0 93 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.965 120.8 56.0 -59.8 -38.0 65.8 31.3 33.4 317 320 A E H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.905 105.5 49.4 -56.4 -40.6 68.6 30.9 31.0 318 321 A E H > S+ 0 0 13 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.946 109.3 53.6 -66.3 -48.4 66.5 32.2 28.2 319 322 A F H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.894 109.0 47.4 -42.0 -54.5 65.5 35.2 30.4 320 323 A K H X S+ 0 0 43 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.921 112.1 51.7 -56.3 -46.2 69.1 36.0 31.1 321 324 A R H X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.931 109.2 49.2 -54.1 -51.1 69.9 35.7 27.3 322 325 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.874 111.4 48.2 -67.6 -36.7 67.2 38.0 26.2 323 326 A N H X S+ 0 0 2 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.877 109.2 52.1 -73.9 -28.9 68.1 40.7 28.7 324 327 A I H X S+ 0 0 19 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.926 109.5 50.1 -68.3 -33.5 71.6 40.6 27.8 325 328 A N H X S+ 0 0 23 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.922 109.4 54.9 -68.1 -33.2 70.5 41.0 24.0 326 329 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 -39,-0.3 -1,-0.2 0.906 108.5 45.1 -61.6 -43.6 68.4 44.0 25.2 327 330 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 5,-0.2 0.943 113.3 51.1 -69.5 -41.1 71.3 45.7 26.8 328 331 A K H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.5 44.6 -61.9 -24.2 73.4 45.0 23.8 329 332 A S H 3< S+ 0 0 19 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.504 89.1 118.8-105.1 10.1 70.7 46.5 21.5 330 333 A S S << S- 0 0 1 -3,-0.9 7,-0.1 -4,-0.7 -3,-0.0 -0.185 71.3-120.5 -68.3 164.4 69.9 49.6 23.6 331 334 A F + 0 0 8 -124,-0.1 -124,-0.2 6,-0.0 -1,-0.1 -0.023 69.3 122.3 -97.5 32.5 70.5 53.1 22.3 332 335 A L S S- 0 0 2 -5,-0.2 5,-0.1 1,-0.1 -157,-0.0 -0.581 75.6 -83.3 -86.7 157.8 73.0 54.2 25.0 333 336 A P > - 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