==== 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 31-JUL-08 3E0F . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT PHOSPHOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM ADOLESCENTIS ATCC 1570 . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 286 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.9 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 . 1 0.3 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 0 2 0 0 0 0 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 8 A E 0 0 179 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.2 45.9 41.8 -1.4 2 9 A P - 0 0 59 0, 0.0 266,-0.1 0, 0.0 248,-0.0 -0.592 360.0 -98.6 -58.9 130.7 44.4 38.4 -0.5 3 10 A P - 0 0 28 0, 0.0 264,-0.3 0, 0.0 3,-0.1 -0.280 24.0-155.1 -58.1 132.9 46.8 37.1 2.2 4 11 A A S S+ 0 0 91 1,-0.2 2,-0.3 262,-0.1 265,-0.0 0.752 84.1 22.9 -76.5 -29.4 49.4 34.6 0.9 5 12 A Q S S+ 0 0 127 262,-0.1 2,-0.3 29,-0.0 265,-0.3 -0.981 87.6 77.0-136.2 155.9 49.7 33.1 4.4 6 13 A G S S- 0 0 1 -2,-0.3 29,-2.7 27,-0.2 30,-0.7 -0.989 73.4 -26.9 151.0-144.7 47.4 33.1 7.4 7 14 A W E -aB 36 268A 22 261,-2.8 261,-3.1 -2,-0.3 2,-0.9 -0.850 34.1-141.5-116.7 142.1 44.3 31.4 8.7 8 15 A D E +a 37 0A 0 28,-1.6 30,-2.0 -2,-0.4 243,-0.2 -0.876 26.4 175.7-101.0 102.4 41.4 29.8 7.0 9 16 A I E + 0 0 0 241,-1.2 2,-0.3 -2,-0.9 242,-0.2 0.233 58.9 68.2 -98.6 19.9 38.6 30.8 9.3 10 17 A H E + 0 0 0 240,-0.1 243,-2.1 2,-0.0 244,-1.0 -0.693 61.9 137.9-140.5 81.2 35.6 29.4 7.3 11 18 A C E -ac 39 254A 0 27,-0.5 29,-2.4 -2,-0.3 2,-0.3 -0.987 34.1-150.1-134.4 135.9 35.6 25.5 7.3 12 19 A H - 0 0 0 242,-3.0 8,-0.4 -2,-0.4 7,-0.3 -0.801 13.0-174.7-108.3 148.5 32.8 23.0 7.7 13 20 A T > > - 0 0 0 -2,-0.3 5,-2.5 5,-0.2 3,-1.9 -0.605 49.8 -76.2-126.1-176.5 32.9 19.5 9.2 14 21 A V T 3 5S+ 0 0 11 6,-1.9 116,-0.5 1,-0.3 115,-0.4 0.613 117.2 79.1 -59.5 -19.5 30.5 16.6 9.6 15 22 A F T 3 5S- 0 0 0 5,-0.3 120,-1.7 119,-0.1 -1,-0.3 0.495 119.1 -0.1 -70.5 -5.8 28.8 18.5 12.5 16 23 A S T < 5S- 0 0 1 -3,-1.9 113,-0.3 118,-0.2 114,-0.1 -0.214 128.8 -38.9-137.7-110.1 27.0 20.4 9.7 17 24 A D T 5S+ 0 0 12 -2,-0.1 -3,-0.2 119,-0.1 2,-0.1 0.198 96.8 105.2-118.4 16.5 27.5 19.9 6.0 18 25 A G < - 0 0 7 -5,-2.5 -5,-0.2 2,-0.1 238,-0.2 -0.414 65.8-134.3 -83.5 169.7 31.2 19.2 5.5 19 26 A T S S+ 0 0 45 236,-0.8 2,-0.3 -7,-0.3 237,-0.1 0.528 76.7 68.0-104.1 -5.7 32.5 15.7 4.9 20 27 A E S S- 0 0 51 -8,-0.4 -6,-1.9 1,-0.1 -5,-0.3 -0.748 79.0-108.1-119.1 156.4 35.4 15.5 7.3 21 28 A T > - 0 0 47 -2,-0.3 4,-2.1 -8,-0.2 5,-0.1 -0.285 34.1-109.5 -72.3 159.1 35.9 15.5 11.1 22 29 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.828 121.7 56.0 -56.8 -32.9 37.3 18.4 13.1 23 30 A R H > S+ 0 0 133 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.931 106.2 49.6 -61.0 -48.9 40.4 16.3 13.6 24 31 A T H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.903 109.7 51.9 -58.7 -43.7 40.8 15.9 9.8 25 32 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.944 113.4 43.6 -55.1 -51.2 40.4 19.7 9.4 26 33 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.938 114.8 49.7 -65.5 -45.5 43.1 20.5 11.9 27 34 A E H X S+ 0 0 51 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.909 116.1 41.3 -55.5 -50.6 45.4 17.8 10.6 28 35 A Q H X S+ 0 0 69 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.884 110.1 56.4 -70.2 -42.5 45.1 19.0 7.0 29 36 A A H <>S+ 0 0 0 -4,-2.8 5,-2.0 -5,-0.3 -1,-0.2 0.895 109.7 48.1 -57.1 -39.2 45.2 22.7 7.8 30 37 A R H ><5S+ 0 0 137 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.947 110.7 49.7 -65.7 -47.1 48.6 22.1 9.5 31 38 A K H 3<5S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 105.0 58.7 -63.4 -24.8 49.9 20.1 6.6 32 39 A L T 3<5S- 0 0 103 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.393 119.9-108.3 -87.6 4.1 48.9 22.7 4.1 33 40 A G T < 5 + 0 0 53 -3,-1.7 -27,-0.2 1,-0.2 -3,-0.2 0.593 62.7 158.5 85.1 11.0 51.1 25.3 5.9 34 41 A L < - 0 0 21 -5,-2.0 -1,-0.2 -6,-0.2 -27,-0.2 -0.342 44.8-138.5 -73.2 149.3 48.3 27.3 7.5 35 42 A H S S- 0 0 68 -29,-2.7 2,-0.3 1,-0.3 -28,-0.2 0.653 79.2 -33.5 -77.8 -17.6 49.0 29.4 10.5 36 43 A G E -a 7 0A 0 -30,-0.7 -28,-1.6 24,-0.1 2,-0.3 -0.950 58.7-134.4 173.2 177.7 45.6 28.3 12.0 37 44 A V E -ad 8 62A 0 24,-1.6 26,-2.5 -2,-0.3 2,-0.4 -0.930 7.8-140.1-149.1 156.5 42.1 27.3 11.2 38 45 A A E - d 0 63A 0 -30,-2.0 -27,-0.5 -2,-0.3 2,-0.4 -0.985 13.2-136.7-121.3 142.6 38.5 28.0 12.3 39 46 A I E +ad 11 64A 0 24,-1.6 26,-0.9 -2,-0.4 -27,-0.2 -0.803 27.2 174.1 -86.2 136.2 35.6 25.6 12.7 40 47 A A E + d 0 65A 0 -29,-2.4 26,-0.3 -2,-0.4 3,-0.1 -0.267 8.3 168.3-143.8 52.1 32.5 27.4 11.3 41 48 A D E > - d 0 66A 3 24,-0.6 26,-1.7 3,-0.2 3,-0.9 -0.361 45.3 -87.7 -75.1 149.9 29.7 24.9 11.2 42 49 A H E 3 S- d 0 67A 24 1,-0.2 26,-0.2 24,-0.2 -1,-0.1 -0.434 93.8 -26.6 -60.6 119.3 26.1 25.9 10.6 43 50 A D T 3 S+ 0 0 0 24,-2.5 2,-0.3 -2,-0.2 -1,-0.2 0.752 116.3 89.0 53.7 41.7 24.1 27.0 13.7 44 51 A T < - 0 0 6 -3,-0.9 -3,-0.2 23,-0.1 23,-0.1 -0.995 56.0-161.4-163.0 155.1 26.1 24.9 16.1 45 52 A T > + 0 0 36 -2,-0.3 3,-1.8 41,-0.1 4,-0.4 0.078 61.5 118.2-117.4 18.3 29.1 24.5 18.5 46 53 A A T 3 S+ 0 0 24 1,-0.3 3,-0.5 -31,-0.2 4,-0.4 0.838 75.8 46.6 -61.1 -33.8 28.9 20.7 18.5 47 54 A G T 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.437 84.4 95.7 -87.5 1.4 32.4 20.2 16.9 48 55 A W H <> S+ 0 0 8 -3,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.889 83.9 47.7 -61.9 -42.3 34.1 22.7 19.2 49 56 A D H > S+ 0 0 111 -3,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.945 115.2 44.8 -68.8 -46.0 35.4 20.1 21.7 50 57 A E H > S+ 0 0 57 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.904 114.2 51.3 -58.4 -40.6 36.7 17.8 19.0 51 58 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.934 111.1 46.8 -63.1 -45.7 38.3 20.8 17.2 52 59 A T H X S+ 0 0 38 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.927 111.6 50.5 -62.1 -48.0 40.0 22.0 20.4 53 60 A E H X S+ 0 0 120 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.931 112.7 47.0 -54.0 -49.2 41.3 18.5 21.3 54 61 A A H X S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.901 108.5 55.5 -63.9 -40.2 42.7 18.1 17.8 55 62 A S H X>S+ 0 0 19 -4,-2.5 4,-1.6 -5,-0.2 5,-1.6 0.888 111.3 44.0 -59.2 -41.8 44.3 21.6 17.9 56 63 A E H <5S+ 0 0 153 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.871 117.0 44.8 -71.1 -38.9 46.2 20.7 21.1 57 64 A E H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.908 123.7 34.4 -73.2 -40.4 47.3 17.3 19.9 58 65 A I H <5S- 0 0 37 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.723 105.0-127.8 -87.0 -22.1 48.3 18.4 16.4 59 66 A G T <5 + 0 0 42 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.976 57.9 137.3 70.0 56.3 49.6 21.9 17.6 60 67 A L < - 0 0 4 -5,-1.6 -1,-0.3 -6,-0.1 -24,-0.1 -0.992 57.6-114.1-127.5 127.1 47.7 24.2 15.2 61 68 A P - 0 0 64 0, 0.0 -24,-1.6 0, 0.0 2,-0.4 -0.302 37.5-157.3 -55.3 144.7 46.1 27.4 16.5 62 69 A L E -d 37 0A 25 -26,-0.2 2,-0.4 -55,-0.0 -24,-0.2 -0.983 18.4-154.8-137.5 135.6 42.3 27.3 16.3 63 70 A L E -d 38 0A 0 -26,-2.5 -24,-1.6 -2,-0.4 2,-0.6 -0.912 23.0-137.2-105.2 133.5 39.5 29.8 16.2 64 71 A L E +d 39 0A 9 -2,-0.4 19,-3.0 -26,-0.2 20,-0.3 -0.838 41.5 151.1 -97.3 119.6 36.1 28.5 17.5 65 72 A G E -dE 40 82A 0 -26,-0.9 -24,-0.6 -2,-0.6 2,-0.3 -0.829 34.5-152.0-146.5 179.8 33.3 29.6 15.3 66 73 A T E -dE 41 81A 0 15,-1.7 15,-2.8 -26,-0.3 2,-0.5 -0.977 19.0-133.7-156.1 136.6 29.8 29.1 13.8 67 74 A E E -dE 42 80A 2 -26,-1.7 -24,-2.5 -2,-0.3 2,-0.5 -0.896 26.5-164.1 -97.8 124.6 28.1 30.1 10.6 68 75 A I E - E 0 79A 0 11,-3.1 11,-2.5 -2,-0.5 2,-0.4 -0.921 13.5-137.2-112.8 125.0 24.7 31.5 11.3 69 76 A T E + E 0 78A 20 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.710 35.3 165.1 -80.7 136.7 22.0 31.9 8.6 70 77 A A E - E 0 77A 0 7,-2.9 7,-2.8 -2,-0.4 2,-0.3 -0.838 26.3-134.8-141.2 171.1 20.2 35.2 9.0 71 78 A V E -fE 176 76A 47 104,-1.6 106,-1.5 -2,-0.3 2,-0.4 -0.986 10.4-172.1-135.4 147.6 17.9 37.4 6.8 72 79 A D E > - E 0 75A 6 3,-2.7 3,-2.6 -2,-0.3 2,-0.2 -0.915 69.6 -50.5-142.0 108.4 17.8 41.2 6.2 73 80 A E T 3 S- 0 0 143 -2,-0.4 133,-0.0 1,-0.3 -1,-0.0 -0.450 124.6 -21.6 56.8-122.0 14.8 42.4 4.2 74 81 A D T 3 S+ 0 0 99 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.574 118.4 103.0 -90.0 -4.2 14.6 40.0 1.3 75 82 A V E < -E 72 0A 2 -3,-2.6 -3,-2.7 127,-0.1 2,-0.4 -0.649 64.6-141.0 -93.9 127.0 18.3 39.1 1.5 76 83 A S E -E 71 0A 42 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.695 28.5-170.9 -75.6 126.0 19.6 35.8 2.9 77 84 A V E -E 70 0A 6 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.4 -0.974 14.9-152.7-128.4 132.3 22.8 36.6 4.9 78 85 A H E -EG 69 194A 39 116,-0.6 116,-3.1 -2,-0.4 2,-0.4 -0.901 14.1-162.8-108.3 138.4 25.4 34.2 6.5 79 86 A X E -EG 68 193A 0 -11,-2.5 -11,-3.1 -2,-0.4 2,-0.5 -0.965 13.7-143.2-125.7 130.8 27.4 35.4 9.5 80 87 A L E -EG 67 192A 0 112,-3.0 112,-2.9 -2,-0.4 2,-0.5 -0.821 17.8-165.8 -89.6 127.0 30.5 34.0 10.9 81 88 A A E -EG 66 191A 0 -15,-2.8 -15,-1.7 -2,-0.5 2,-0.4 -0.981 10.7-174.5-115.2 119.5 30.5 34.1 14.7 82 89 A F E -EG 65 190A 0 108,-2.7 108,-2.5 -2,-0.5 -17,-0.2 -0.924 52.2 -0.8-119.0 143.6 33.8 33.6 16.4 83 90 A Q S S+ 0 0 14 -19,-3.0 198,-3.2 -2,-0.4 2,-0.2 0.856 80.9 143.9 56.4 51.4 35.0 33.2 20.0 84 91 A Y - 0 0 0 -20,-0.3 104,-0.2 196,-0.2 -1,-0.2 -0.672 62.6 -86.9-109.8 166.7 31.8 33.6 21.9 85 92 A D > - 0 0 60 102,-2.9 3,-1.8 -2,-0.2 6,-0.1 -0.682 34.5-158.2 -75.7 112.2 30.5 31.9 25.1 86 93 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -41,-0.1 0.675 89.7 58.2 -72.9 -13.7 28.9 28.6 23.8 87 94 A S T 3 S+ 0 0 88 100,-0.1 2,-0.2 4,-0.0 -2,-0.1 0.324 72.1 130.2 -91.6 2.2 26.9 28.3 27.0 88 95 A N <> - 0 0 38 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 -0.478 55.3-145.4 -56.5 123.8 25.3 31.7 26.4 89 96 A E H > S+ 0 0 163 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 91.7 51.6 -63.3 -43.3 21.6 30.9 26.8 90 97 A H H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 113.2 43.1 -66.9 -47.9 20.3 33.3 24.2 91 98 A I H > S+ 0 0 1 92,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 114.2 51.7 -67.3 -36.9 22.6 32.1 21.4 92 99 A S H X S+ 0 0 45 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.887 109.8 49.4 -65.3 -40.0 22.0 28.5 22.3 93 100 A S H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.926 111.4 50.3 -61.7 -45.7 18.2 29.0 22.2 94 101 A X H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.858 111.0 47.0 -60.3 -43.6 18.5 30.6 18.8 95 102 A F H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.936 112.5 51.8 -64.5 -42.4 20.6 27.8 17.4 96 103 A A H X S+ 0 0 42 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.880 112.2 45.2 -58.8 -42.9 18.1 25.3 18.8 97 104 A N H X S+ 0 0 114 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.925 114.5 47.7 -69.1 -44.9 15.2 27.1 17.2 98 105 A T H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 112.8 49.0 -61.3 -44.4 17.0 27.4 13.9 99 106 A R H X S+ 0 0 89 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.907 112.1 48.6 -61.8 -43.2 18.0 23.8 13.9 100 107 A A H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.913 112.6 47.7 -64.4 -42.3 14.5 22.7 14.7 101 108 A A H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 112.6 49.2 -66.5 -41.5 13.0 24.8 11.9 102 109 A R H X S+ 0 0 20 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.843 109.5 52.5 -70.0 -33.9 15.6 23.5 9.5 103 110 A L H X S+ 0 0 56 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 110.7 46.9 -61.8 -47.2 14.8 19.9 10.5 104 111 A R H X S+ 0 0 153 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.906 114.4 48.6 -59.8 -42.6 11.1 20.4 9.9 105 112 A R H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.862 110.2 49.8 -65.7 -41.7 11.8 22.1 6.5 106 113 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.881 110.1 50.2 -70.1 -39.9 14.2 19.4 5.3 107 114 A K H X S+ 0 0 101 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.867 109.8 51.5 -64.5 -37.2 11.8 16.6 6.2 108 115 A R H X S+ 0 0 93 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.900 111.1 48.6 -66.9 -39.4 9.1 18.4 4.3 109 116 A X H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.922 111.2 48.2 -62.2 -48.4 11.5 18.7 1.2 110 117 A V H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 108.4 55.1 -62.2 -42.9 12.4 15.0 1.3 111 118 A E H < S+ 0 0 73 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.882 113.4 42.6 -56.9 -39.1 8.7 14.1 1.5 112 119 A R H >< S+ 0 0 110 -4,-1.6 3,-1.2 1,-0.2 4,-0.4 0.931 114.5 47.9 -70.8 -50.9 8.1 16.2 -1.7 113 120 A L H >X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 3,-1.8 0.838 100.4 69.2 -55.8 -34.5 11.2 15.0 -3.6 114 121 A S T 3< S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 88.9 63.7 -61.1 -24.4 10.2 11.4 -2.6 115 122 A Q T <4 S+ 0 0 139 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.759 122.0 18.6 -67.8 -26.5 7.2 11.6 -5.0 116 123 A D T <4 S+ 0 0 88 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.553 122.2 54.3-119.7 -17.9 9.6 12.0 -8.0 117 124 A F S < S- 0 0 45 -4,-2.8 2,-2.2 2,-0.1 -1,-0.1 -0.910 83.7-110.1-126.3 148.2 13.0 10.8 -6.8 118 125 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.489 77.0 121.5 -71.0 73.1 14.4 7.5 -5.3 119 126 A I + 0 0 4 -2,-2.2 2,-0.3 -5,-0.2 -2,-0.1 -0.995 36.0 179.5-141.0 138.4 15.0 9.2 -1.9 120 127 A T > - 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0 0 6 -120,-1.7 2,-0.2 -2,-0.4 -93,-0.1 -0.782 33.5-144.7 -75.9 109.1 22.9 20.4 11.7 136 143 A I + 0 0 23 -2,-0.9 2,-0.3 -37,-0.1 -30,-0.1 -0.528 36.6 132.6 -83.8 144.8 20.8 18.7 9.1 137 144 A G >> - 0 0 5 -2,-0.2 3,-1.5 -121,-0.1 4,-0.9 -0.944 64.6 -49.8-169.2-174.8 20.0 20.6 6.0 138 145 A R H >> S+ 0 0 58 -2,-0.3 4,-2.4 1,-0.3 3,-0.6 0.815 119.5 62.3 -45.0 -44.4 19.8 20.9 2.2 139 146 A P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.794 100.2 55.3 -61.4 -25.8 23.3 19.5 1.5 140 147 A H H <> S+ 0 0 5 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.800 107.2 48.8 -76.7 -29.9 22.2 16.2 3.1 141 148 A I H S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 6,-0.8 0.856 111.4 49.7 -73.8 -35.5 20.5 12.2 -4.3 146 153 A V H ><5S+ 0 0 44 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.935 111.6 49.1 -63.0 -44.1 24.1 11.8 -5.3 147 154 A A H 3<5S+ 0 0 73 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.787 109.6 51.9 -66.8 -31.8 24.2 8.5 -3.4 148 155 A A T 3<5S- 0 0 44 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.366 118.6-115.5 -80.5 -0.7 21.0 7.4 -5.2 149 156 A G T < 5S+ 0 0 61 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.669 82.1 122.4 74.1 19.0 22.7 8.3 -8.5 150 157 A V S S- 0 0 50 1,-0.1 4,-1.5 -8,-0.0 -1,-0.1 -0.813 74.4-112.5-126.5 166.4 27.8 16.0 -7.4 154 161 A R H > S+ 0 0 6 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.789 117.7 60.6 -62.1 -31.5 26.1 18.0 -4.7 155 162 A S H > S+ 0 0 52 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 101.9 50.8 -61.7 -45.7 26.6 21.1 -6.9 156 163 A D H 4 S+ 0 0 70 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.904 108.6 52.3 -59.9 -42.1 24.5 19.5 -9.6 157 164 A A H ><>S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 3,-1.3 0.900 108.7 49.5 -63.6 -44.9 21.7 18.8 -7.1 158 165 A F H 3<5S+ 0 0 46 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.648 106.6 57.3 -64.2 -22.8 21.7 22.4 -5.9 159 166 A A T 3<5S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.493 126.6 8.1 -81.3 -6.0 21.4 23.5 -9.6 160 167 A D T X 5S+ 0 0 82 -3,-1.3 3,-0.9 -4,-0.3 6,-0.3 0.209 129.4 13.1-140.1-107.2 18.2 21.4 -10.0 161 168 A A T 3 5S+ 0 0 2 1,-0.3 7,-0.4 -5,-0.1 8,-0.2 0.843 131.6 39.3 -56.8 -42.1 15.9 19.5 -7.5 162 169 A V T 3 -f 71 0A 27 -106,-0.2 4,-2.7 1,-0.1 -104,-0.2 -0.305 28.3-114.6 -68.6 159.4 17.3 38.8 11.4 177 184 A T H > S+ 0 0 0 -106,-1.5 4,-2.5 1,-0.2 5,-0.2 0.826 119.8 55.4 -62.6 -33.1 20.9 40.0 11.0 178 185 A H H > S+ 0 0 72 -107,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.880 107.7 47.6 -67.2 -41.6 20.1 42.4 13.8 179 186 A E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.953 114.8 46.9 -62.2 -52.1 19.0 39.6 16.1 180 187 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.922 112.5 47.9 -57.9 -47.6 22.1 37.5 15.3 181 188 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.930 113.2 47.9 -61.7 -46.4 24.6 40.4 15.7 182 189 A A H X S+ 0 0 61 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.906 114.1 48.7 -58.4 -41.3 23.0 41.4 19.1 183 190 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -92,-0.2 0.907 112.7 45.7 -65.6 -43.4 23.2 37.7 20.1 184 191 A V H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 -99,-0.2 0.932 115.8 45.1 -70.5 -43.8 26.8 37.1 19.1 185 192 A K H ><5S+ 0 0 65 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.909 111.1 54.5 -66.0 -42.4 28.1 40.3 20.7 186 193 A G H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.839 105.3 53.6 -53.2 -36.7 26.0 39.5 23.8 187 194 A A T 3<5S- 0 0 4 -4,-1.6 -102,-2.9 -5,-0.1 -1,-0.3 0.344 125.6-105.9 -84.8 6.0 27.8 36.1 23.9 188 195 A G T < 5S+ 0 0 29 -3,-1.8 -3,-0.2 -104,-0.2 93,-0.2 0.559 76.7 133.3 86.5 12.3 31.1 38.0 23.9 189 196 A G < - 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