==== 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 28-JAN-04 1S6Y . COMPND 2 MOLECULE: 6-PHOSPHO-BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR V.TERESHKO,I.DEMENTIEVA,Y.KIM,F.COLLAT,A.JOACHIMIAK,A.KOSSIA . 416 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.9 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 . 4 1.0 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 1 1 0 3 1 0 3 2 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 0 0 1 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 0 0 0 1 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 R 0 0 200 0, 0.0 2,-0.3 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 155.7 6.9 4.9 39.4 2 5 A L E -a 30 0A 15 27,-2.1 29,-2.2 77,-0.0 30,-1.6 -0.673 360.0-164.9-105.8 137.7 7.5 7.5 36.8 3 6 A K E -a 32 0A 17 -2,-0.3 76,-2.6 74,-0.3 77,-1.5 -0.968 14.9-166.0-110.0 132.7 5.4 9.1 34.0 4 7 A I E -ab 33 80A 2 28,-2.3 30,-2.3 -2,-0.4 2,-0.5 -0.982 4.6-159.1-125.0 120.7 7.4 11.0 31.3 5 8 A A E -ab 34 81A 0 75,-2.2 77,-3.1 -2,-0.5 2,-0.6 -0.855 4.3-165.5 -99.7 129.1 5.7 13.3 28.8 6 9 A T E > -ab 35 82A 0 28,-2.9 30,-2.1 -2,-0.5 3,-0.6 -0.930 6.4-156.4-119.6 103.0 7.6 14.1 25.6 7 10 A I E 3 S+ab 36 83A 12 75,-2.7 77,-3.2 -2,-0.6 30,-0.2 -0.733 85.0 41.9 -82.5 120.6 6.3 17.1 23.7 8 11 A G T > + 0 0 3 28,-2.2 3,-1.2 -2,-0.6 -1,-0.2 0.619 67.8 158.5 104.3 32.5 7.4 16.6 20.1 9 12 A G T < + 0 0 0 27,-3.4 28,-0.2 -3,-0.6 5,-0.1 0.816 64.3 68.7 -52.3 -36.8 6.7 12.8 20.0 10 13 A G T 3 S+ 0 0 3 26,-0.3 -1,-0.3 38,-0.1 2,-0.2 0.205 79.2 125.8 -74.0 21.6 6.4 12.8 16.2 11 14 A S X - 0 0 21 -3,-1.2 3,-1.3 1,-0.1 74,-0.0 -0.478 69.1-127.0 -87.0 149.9 10.2 13.5 15.9 12 15 A S T 3 S+ 0 0 9 1,-0.2 4,-0.2 -2,-0.2 -1,-0.1 0.798 109.6 55.4 -55.4 -35.1 12.9 11.5 14.0 13 16 A Y T >> S+ 0 0 82 1,-0.2 4,-1.4 2,-0.1 3,-0.8 0.443 75.7 102.1 -85.3 -1.0 15.0 11.2 17.2 14 17 A T H <> S+ 0 0 0 -3,-1.3 4,-2.2 1,-0.2 3,-0.4 0.880 76.7 55.6 -52.9 -44.6 12.2 9.6 19.2 15 18 A P H 3> S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.865 102.7 57.2 -57.3 -35.6 13.7 6.0 18.8 16 19 A E H <> S+ 0 0 38 -3,-0.8 4,-2.0 -4,-0.2 -2,-0.2 0.901 108.1 48.3 -60.7 -40.4 17.0 7.3 20.3 17 20 A L H X S+ 0 0 3 -4,-1.4 4,-2.3 -3,-0.4 5,-0.2 0.962 113.0 43.7 -64.1 -54.4 15.1 8.4 23.4 18 21 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.899 112.2 55.1 -63.4 -37.4 13.1 5.2 23.9 19 22 A E H X S+ 0 0 111 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.3 0.910 107.4 51.1 -56.1 -45.5 16.4 3.3 23.3 20 23 A G H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.914 110.1 47.7 -57.3 -47.5 17.9 5.4 26.0 21 24 A L H < S+ 0 0 2 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.857 111.1 52.0 -64.8 -35.9 15.1 4.5 28.5 22 25 A I H >< S+ 0 0 38 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.948 107.8 51.7 -62.1 -51.5 15.5 0.9 27.5 23 26 A K H 3< S+ 0 0 173 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.843 120.4 34.5 -49.6 -38.3 19.2 1.0 28.2 24 27 A R T >X S+ 0 0 39 -4,-1.5 4,-2.3 1,-0.2 3,-0.8 0.229 78.4 116.7-108.7 11.7 18.6 2.5 31.7 25 28 A Y T <4 S+ 0 0 48 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.828 73.4 58.0 -56.4 -39.3 15.3 0.8 32.8 26 29 A H T 34 S+ 0 0 187 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.919 118.0 34.8 -52.9 -45.0 16.9 -1.0 35.8 27 30 A E T <4 S+ 0 0 70 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.767 123.4 48.8 -76.0 -31.0 17.9 2.5 37.1 28 31 A L < - 0 0 0 -4,-2.3 2,-2.5 -7,-0.2 -1,-0.2 -0.824 66.8-161.3-122.8 91.1 14.8 4.3 35.7 29 32 A P + 0 0 31 0, 0.0 -27,-2.1 0, 0.0 2,-0.8 -0.415 20.6 177.7 -70.6 73.0 11.4 2.7 36.5 30 33 A V E -a 2 0A 1 -2,-2.5 -27,-0.2 1,-0.2 3,-0.1 -0.716 8.9-179.5 -81.1 110.1 9.5 4.5 33.8 31 34 A G E + 0 0 9 -29,-2.2 33,-2.1 -2,-0.8 2,-0.4 0.885 67.6 11.8 -77.4 -42.3 5.9 3.2 34.0 32 35 A E E -ac 3 64A 69 -30,-1.6 -28,-2.3 31,-0.2 2,-0.6 -0.999 57.1-161.1-144.5 135.1 4.5 5.2 31.1 33 36 A L E -ac 4 65A 1 31,-3.0 33,-2.6 -2,-0.4 2,-0.6 -0.960 15.0-157.1-117.2 109.4 6.0 7.3 28.4 34 37 A W E -ac 5 66A 26 -30,-2.3 -28,-2.9 -2,-0.6 2,-0.7 -0.803 1.8-161.1 -92.4 116.1 3.5 9.8 26.8 35 38 A L E -ac 6 67A 0 31,-3.5 33,-1.9 -2,-0.6 2,-0.3 -0.876 16.9-175.5 -99.0 110.8 4.4 10.9 23.3 36 39 A V E +ac 7 68A 5 -30,-2.1 -27,-3.4 -2,-0.7 -28,-2.2 -0.762 13.7 147.2-112.8 152.6 2.5 14.1 22.5 37 40 A D - 0 0 29 31,-1.3 34,-0.1 -2,-0.3 5,-0.1 -0.807 40.9 -90.1-159.1-168.4 2.3 16.1 19.3 38 41 A I > - 0 0 89 -2,-0.2 3,-2.8 32,-0.1 4,-0.2 -0.889 40.9 -97.9-124.9 155.4 -0.2 18.3 17.3 39 42 A P G > S+ 0 0 94 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.768 118.5 62.7 -39.2 -41.1 -2.8 17.5 14.6 40 43 A E G 3 S+ 0 0 138 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.325 113.1 34.6 -74.4 8.4 -0.4 18.6 11.8 41 44 A G G <> S+ 0 0 8 -3,-2.8 4,-1.6 2,-0.1 -1,-0.3 0.124 76.8 114.0-144.7 25.0 2.1 15.8 12.7 42 45 A K H <> S+ 0 0 89 -3,-1.3 4,-2.1 2,-0.2 5,-0.2 0.718 75.7 58.6 -78.8 -19.5 0.0 12.9 13.9 43 46 A E H > S+ 0 0 150 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.948 108.5 46.0 -64.7 -49.7 1.1 10.7 10.9 44 47 A K H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.861 113.7 50.9 -59.1 -36.4 4.7 11.1 12.1 45 48 A L H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.895 111.0 45.6 -70.1 -44.0 3.6 10.4 15.7 46 49 A E H X S+ 0 0 101 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.843 113.6 51.1 -71.1 -34.9 1.8 7.2 14.8 47 50 A I H >X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 3,-0.5 0.993 120.7 32.1 -61.8 -61.9 4.7 6.0 12.6 48 51 A V H 3X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.815 114.4 61.5 -68.5 -32.0 7.4 6.5 15.3 49 52 A G H 3X S+ 0 0 0 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.855 105.5 48.3 -58.5 -36.5 5.0 5.7 18.1 50 53 A A H S+ 0 0 8 -4,-1.6 5,-2.8 2,-0.2 -1,-0.2 0.905 119.2 41.8 -75.6 -42.8 10.2 -1.9 24.1 57 60 A E H ><5S+ 0 0 170 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.870 115.2 52.3 -72.7 -35.7 8.2 -5.2 23.8 58 61 A K H 3<5S+ 0 0 190 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.875 113.5 44.0 -62.2 -40.1 11.0 -6.7 21.6 59 62 A A T 3<5S- 0 0 49 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.455 113.8-125.0 -79.9 -5.0 13.5 -5.6 24.3 60 63 A G T < 5 + 0 0 63 -3,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.931 61.7 141.1 59.3 50.0 11.1 -7.0 27.0 61 64 A V < - 0 0 22 -5,-2.8 2,-1.4 2,-0.1 -1,-0.2 -0.994 51.7-133.3-126.1 123.5 11.0 -3.7 29.0 62 65 A P + 0 0 72 0, 0.0 2,-0.5 0, 0.0 -5,-0.1 -0.194 51.3 137.4 -86.9 47.8 7.6 -2.7 30.4 63 66 A I - 0 0 9 -2,-1.4 2,-0.6 -31,-0.1 -31,-0.2 -0.785 49.4-137.2 -79.7 127.1 7.2 1.0 29.5 64 67 A E E -c 32 0A 116 -33,-2.1 -31,-3.0 -2,-0.5 2,-0.6 -0.790 14.2-146.8 -81.2 119.1 3.7 1.7 28.3 65 68 A I E -c 33 0A 3 -2,-0.6 2,-0.5 -33,-0.2 -31,-0.2 -0.820 16.2-169.2 -89.2 116.8 3.9 4.0 25.3 66 69 A H E -c 34 0A 63 -33,-2.6 -31,-3.5 -2,-0.6 2,-0.4 -0.952 4.2-159.4-110.3 133.8 0.9 6.4 25.2 67 70 A L E +c 35 0A 64 -2,-0.5 2,-0.3 -33,-0.2 -31,-0.2 -0.908 24.0 149.7-107.4 131.3 0.2 8.5 22.1 68 71 A T E -c 36 0A 10 -33,-1.9 -31,-1.3 -2,-0.4 -59,-0.1 -0.995 47.7-151.7-155.5 158.6 -1.9 11.7 22.2 69 72 A L S S+ 0 0 72 -2,-0.3 2,-0.7 -33,-0.2 -33,-0.1 0.255 87.9 82.9-105.0 5.4 -2.6 15.2 20.7 70 73 A D >> - 0 0 64 1,-0.1 4,-0.9 -32,-0.1 3,-0.9 -0.919 58.8-175.9-112.2 99.2 -3.9 16.3 24.1 71 74 A R H 3> S+ 0 0 62 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.672 76.3 70.7 -77.3 -16.0 -0.9 17.2 26.2 72 75 A R H 3> S+ 0 0 110 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.821 99.8 50.0 -65.2 -29.4 -2.9 17.9 29.3 73 76 A R H <4 S+ 0 0 134 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.8 45.3 -74.2 -42.8 -3.5 14.1 29.5 74 77 A A H < S+ 0 0 0 -4,-0.9 -2,-0.2 1,-0.2 -40,-0.2 0.830 115.0 47.9 -67.3 -35.9 0.3 13.4 29.1 75 78 A L H >< S+ 0 0 0 -4,-2.3 3,-2.6 2,-0.1 -2,-0.2 0.734 81.1 115.4 -79.2 -24.6 1.2 16.2 31.6 76 79 A D T 3< S- 0 0 97 -4,-1.1 61,-0.2 1,-0.3 60,-0.1 -0.290 101.4 -15.7 -52.2 109.2 -1.4 14.9 34.2 77 80 A G T 3 S+ 0 0 41 59,-2.5 -1,-0.3 -2,-0.2 -74,-0.3 0.616 93.9 165.8 69.4 16.2 0.8 13.8 37.1 78 81 A A < - 0 0 0 -3,-2.6 61,-0.2 1,-0.1 -1,-0.2 -0.284 30.6-162.3 -66.3 149.3 4.1 13.7 35.1 79 82 A D S S+ 0 0 45 -76,-2.6 62,-1.6 1,-0.3 2,-0.3 0.713 80.6 22.2 -97.5 -35.0 7.4 13.4 36.9 80 83 A F E -bd 4 141A 10 -77,-1.5 -75,-2.2 60,-0.2 2,-0.4 -0.994 63.6-164.9-133.4 143.1 9.5 14.6 33.9 81 84 A V E -bd 5 142A 0 60,-2.6 62,-3.7 -2,-0.3 2,-0.3 -0.996 9.0-166.4-126.7 123.3 8.5 16.6 30.8 82 85 A T E -bd 6 143A 1 -77,-3.1 -75,-2.7 -2,-0.4 2,-0.5 -0.847 6.5-152.4-106.8 144.6 10.8 16.7 27.8 83 86 A T E +bd 7 144A 0 60,-1.8 62,-2.8 -2,-0.3 63,-1.3 -0.982 32.2 147.4-122.1 122.2 10.5 19.2 24.9 84 87 A Q + 0 0 18 -77,-3.2 2,-0.2 -2,-0.5 -71,-0.1 -0.356 34.8 130.9-143.5 49.5 11.8 18.2 21.5 85 88 A F - 0 0 24 62,-0.1 2,-0.4 -74,-0.0 62,-0.2 -0.711 45.8-144.3-109.2 160.8 9.3 20.1 19.2 86 89 A R > - 0 0 81 -2,-0.2 3,-0.8 60,-0.1 2,-0.5 -0.983 14.5-144.8-125.1 115.4 9.7 22.4 16.1 87 90 A V T 3 S+ 0 0 23 -2,-0.4 35,-0.1 1,-0.2 34,-0.1 -0.692 89.1 10.9 -83.8 128.0 7.3 25.3 15.7 88 91 A G T 3> S- 0 0 8 -2,-0.5 4,-1.2 4,-0.1 3,-0.3 0.320 110.6-118.6 84.2 -7.0 6.4 25.9 12.0 89 92 A G H <> - 0 0 28 -3,-0.8 4,-1.5 2,-0.2 3,-0.2 -0.129 50.7 -46.8 73.1-169.4 8.2 22.7 11.1 90 93 A L H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.714 135.8 64.0 -71.6 -22.9 11.2 22.2 8.8 91 94 A E H > S+ 0 0 115 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.880 102.8 48.2 -66.3 -38.0 9.5 24.6 6.3 92 95 A A H X S+ 0 0 5 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.899 110.7 51.5 -66.9 -40.3 9.8 27.4 9.0 93 96 A R H X S+ 0 0 17 -4,-1.5 4,-1.8 1,-0.2 3,-0.2 0.911 103.9 57.9 -59.7 -42.2 13.4 26.4 9.5 94 97 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.836 105.1 50.8 -58.4 -35.7 14.1 26.7 5.7 95 98 A K H X S+ 0 0 83 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.843 107.1 54.3 -68.2 -37.6 12.9 30.3 5.8 96 99 A D H < S+ 0 0 1 -4,-1.4 18,-0.3 -3,-0.2 12,-0.3 0.850 114.3 40.7 -62.4 -37.9 15.3 31.0 8.7 97 100 A E H < S+ 0 0 8 -4,-1.8 4,-0.4 10,-0.2 -2,-0.2 0.806 121.3 40.9 -84.1 -31.9 18.2 29.7 6.7 98 101 A R H X S+ 0 0 92 -4,-2.0 4,-0.9 -5,-0.2 3,-0.3 0.884 103.3 61.0 -84.5 -44.3 17.2 31.3 3.3 99 102 A I T >< S+ 0 0 12 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.898 104.8 45.5 -57.5 -50.2 15.9 34.8 4.1 100 103 A P G >4>S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 3,-1.4 0.808 98.7 71.8 -66.6 -29.3 19.1 36.3 5.7 101 104 A L G >45S+ 0 0 18 -4,-0.4 3,-1.7 -3,-0.3 -2,-0.2 0.859 89.8 61.9 -51.8 -39.8 21.3 34.8 2.9 102 105 A K G <<5S+ 0 0 143 -4,-0.9 -1,-0.3 -3,-0.7 -3,-0.1 0.828 105.6 46.4 -53.4 -34.6 19.8 37.5 0.6 103 106 A Y G < 5S- 0 0 61 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.384 120.7-105.9 -93.2 1.4 21.3 40.2 2.8 104 107 A G T < 5S+ 0 0 46 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.733 81.2 128.6 76.9 25.5 24.7 38.6 3.1 105 108 A V < - 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0 0 0 -3,-1.2 2,-0.4 -7,-0.2 -60,-0.2 -0.132 65.8-122.8 -74.4 161.7 7.8 18.0 37.7 141 144 A W E -d 80 0A 20 -62,-1.6 -60,-2.6 22,-0.0 2,-0.6 -0.860 15.4-141.6 -98.1 135.2 11.1 18.7 36.0 142 145 A L E -de 81 165A 0 22,-2.2 24,-1.9 -2,-0.4 2,-0.7 -0.905 16.2-171.1 -94.6 115.8 11.2 20.4 32.6 143 146 A I E -de 82 166A 0 -62,-3.7 -60,-1.8 -2,-0.6 2,-0.6 -0.906 11.8-161.2-109.3 102.3 13.9 18.9 30.4 144 147 A N E +de 83 167A 2 22,-2.6 24,-2.2 -2,-0.7 -60,-0.1 -0.775 33.4 157.1 -98.2 116.1 14.3 21.1 27.3 145 148 A F + 0 0 14 -62,-2.8 4,-0.2 -2,-0.6 -61,-0.2 0.668 48.3 113.0 -89.7 -30.5 16.0 20.0 24.0 146 149 A T S S- 0 0 6 -63,-1.3 6,-0.2 2,-0.1 -60,-0.1 -0.207 71.0 -84.4 -61.8 133.6 14.1 22.6 22.0 147 150 A N S S+ 0 0 15 -62,-0.2 -25,-0.1 1,-0.2 -1,-0.1 -0.014 108.0 39.3 -82.7-171.2 16.3 25.3 20.5 148 151 A P S > S+ 0 0 8 0, 0.0 4,-3.8 0, 0.0 3,-0.3 0.613 78.0 176.9 -16.2 90.2 17.8 28.2 21.1 149 152 A A H > S+ 0 0 0 1,-0.3 4,-2.6 -4,-0.2 5,-0.1 0.782 72.7 50.7 -59.4 -32.8 18.0 26.1 24.3 150 153 A G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.916 115.0 42.2 -68.1 -46.2 20.1 28.8 26.0 151 154 A X H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.878 114.0 53.0 -66.5 -43.6 17.6 31.5 25.1 152 155 A V H X S+ 0 0 3 -4,-3.8 4,-1.9 1,-0.2 3,-0.2 0.985 110.4 46.9 -53.4 -57.4 14.7 29.2 26.0 153 156 A T H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.860 109.7 55.2 -52.1 -41.1 16.3 28.5 29.4 154 157 A E H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.931 107.2 48.4 -59.6 -49.3 16.8 32.2 30.0 155 158 A A H X S+ 0 0 2 -4,-2.2 4,-3.0 -3,-0.2 -1,-0.2 0.867 110.1 51.8 -59.8 -40.4 13.1 33.1 29.4 156 159 A V H X S+ 0 0 1 -4,-1.9 4,-0.6 1,-0.2 6,-0.4 0.872 113.3 45.6 -67.1 -37.5 11.9 30.3 31.7 157 160 A L H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.896 122.7 34.1 -68.4 -43.6 14.2 31.7 34.4 158 161 A R H < S+ 0 0 71 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.853 128.9 29.0 -85.5 -36.0 13.3 35.3 33.9 159 162 A Y H < S+ 0 0 91 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.248 114.9 55.3-113.7 15.4 9.6 35.2 33.0 160 163 A T < - 0 0 30 -4,-0.6 -33,-0.0 -5,-0.2 0, 0.0 -0.891 68.2-133.8-146.3 159.2 8.4 32.1 34.8 161 164 A K + 0 0 181 -2,-0.3 2,-1.4 -31,-0.0 3,-0.2 0.226 68.0 120.2-102.3 10.5 8.3 30.6 38.3 162 165 A Q + 0 0 14 -6,-0.4 -2,-0.1 1,-0.2 -32,-0.0 -0.659 29.4 167.7 -78.2 91.7 9.5 27.2 37.0 163 166 A E + 0 0 178 -2,-1.4 2,-1.9 1,-0.2 -1,-0.2 0.790 61.3 80.2 -75.7 -29.4 12.7 26.8 39.0 164 167 A K + 0 0 81 -24,-0.2 -22,-2.2 -3,-0.2 2,-0.4 -0.542 68.8 131.1 -78.3 76.1 13.0 23.1 38.0 165 168 A V E +e 142 0A 6 -2,-1.9 2,-0.3 -24,-0.2 151,-0.2 -0.986 29.0 174.3-128.3 142.3 14.4 23.6 34.5 166 169 A V E -e 143 0A 0 -24,-1.9 -22,-2.6 -2,-0.4 2,-0.4 -0.987 16.1-151.3-139.6 145.0 17.4 22.2 32.6 167 170 A G E -eF 144 314A 0 147,-1.7 147,-2.8 -2,-0.3 2,-0.3 -0.951 13.7-148.8-111.9 133.3 18.5 22.7 29.0 168 171 A L - 0 0 2 -24,-2.2 2,-0.3 -2,-0.4 145,-0.1 -0.799 12.6-174.5 -99.7 146.2 20.4 19.9 27.2 169 172 A C - 0 0 7 143,-0.3 4,-0.3 -2,-0.3 -24,-0.0 -0.974 19.8-154.1-131.9 149.2 23.0 20.4 24.5 170 173 A N S > S+ 0 0 37 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 0.550 78.7 85.2 -96.8 -10.0 24.7 17.7 22.4 171 174 A V H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 83.1 55.2 -60.8 -46.5 27.9 19.7 21.7 172 175 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 109.1 47.1 -58.9 -41.9 29.9 18.8 24.9 173 176 A I H > S+ 0 0 53 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.907 110.9 52.5 -65.2 -41.3 29.6 15.0 24.2 174 177 A G H X S+ 0 0 42 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.893 111.2 47.6 -56.5 -42.8 30.6 15.5 20.6 175 178 A X H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.872 109.9 51.3 -68.8 -41.3 33.7 17.4 21.8 176 179 A R H X S+ 0 0 70 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 113.4 45.3 -59.7 -46.0 34.6 14.8 24.5 177 180 A X H X S+ 0 0 87 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.851 113.6 51.9 -66.8 -36.1 34.4 12.1 21.7 178 181 A G H X S+ 0 0 38 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.942 110.6 44.1 -62.9 -52.5 36.4 14.3 19.4 179 182 A V H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.861 113.7 52.7 -66.0 -35.9 39.3 15.0 21.7 180 183 A A H X>S+ 0 0 3 -4,-1.8 5,-2.1 -5,-0.2 4,-1.2 0.903 108.6 48.5 -63.8 -45.5 39.4 11.3 22.8 181 184 A K H <5S+ 0 0 175 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.924 112.2 50.9 -61.4 -42.4 39.6 10.1 19.2 182 185 A L H <5S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.907 113.6 43.2 -59.2 -45.9 42.4 12.7 18.6 183 186 A L H <5S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.620 110.7-126.0 -75.1 -15.9 44.2 11.4 21.7 184 187 A G T <5 + 0 0 63 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.952 69.0 118.8 67.7 52.9 43.5 7.8 20.6 185 188 A V S - 0 0 121 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.572 41.0-121.8 -69.8 141.2 38.5 5.8 25.3 187 190 A A G > S+ 0 0 34 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.662 105.8 71.3 -61.8 -22.5 36.3 8.8 26.2 188 191 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.652 93.3 57.8 -70.8 -16.7 35.9 7.8 29.8 189 192 A R G < S+ 0 0 97 -3,-2.0 20,-2.5 20,-0.1 2,-0.5 0.474 96.1 80.1 -86.6 -4.9 39.6 8.8 30.3 190 193 A V E < +G 208 0A 0 -3,-1.4 2,-0.3 18,-0.2 18,-0.2 -0.913 54.4 177.8-108.9 122.1 38.9 12.3 29.1 191 194 A H E -G 207 0A 102 16,-2.1 16,-2.7 -2,-0.5 2,-0.4 -0.943 6.9-167.7-116.5 148.6 37.3 15.0 31.3 192 195 A I E -G 206 0A 6 -2,-0.3 2,-0.9 14,-0.2 14,-0.2 -1.000 22.1-136.9-136.8 130.3 36.7 18.6 30.1 193 196 A D E -G 205 0A 58 12,-2.3 11,-1.9 -2,-0.4 12,-0.7 -0.837 33.0-162.9 -81.9 106.2 35.8 21.7 32.1 194 197 A F E +G 203 0A 11 -2,-0.9 139,-1.2 9,-0.2 2,-0.3 -0.793 16.2 165.1 -93.4 138.2 33.1 23.2 29.9 195 198 A A E +GH 202 332A 0 7,-2.2 7,-2.8 -2,-0.4 2,-0.3 -0.976 28.9 57.6-155.8 145.4 32.0 26.8 30.3 196 199 A G E S-GH 201 331A 1 135,-0.6 135,-1.9 -2,-0.3 5,-0.3 -0.989 82.2 -49.3 145.8-137.4 30.1 29.4 28.3 197 200 A L E > S-G 200 0A 2 3,-1.8 3,-1.8 -2,-0.3 2,-0.1 -0.719 72.3 -62.8-124.7 174.8 26.5 29.4 26.9 198 201 A N T 3 S+ 0 0 9 1,-0.3 -1,-0.1 -2,-0.2 -47,-0.1 -0.435 127.1 0.6 -59.4 133.1 24.5 26.9 24.8 199 202 A H T 3 S+ 0 0 7 -2,-0.1 -1,-0.3 1,-0.1 -89,-0.0 0.795 127.3 78.6 50.6 31.1 26.2 26.5 21.4 200 203 A X E < +G 197 0A 2 -3,-1.8 -3,-1.8 2,-0.0 2,-0.4 -0.211 66.5 138.0-156.7 43.1 28.7 28.9 22.8 201 204 A V E -G 196 0A 0 -5,-0.3 40,-0.4 -7,-0.0 2,-0.3 -0.813 34.3-158.4-115.2 136.3 30.8 26.7 25.0 202 205 A F E -G 195 0A 0 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.9 -0.820 21.3-130.9-108.3 150.6 34.6 26.4 25.5 203 206 A G E +GI 194 239A 0 36,-2.8 36,-2.4 -2,-0.3 -9,-0.2 -0.857 28.8 178.5 -94.8 95.6 36.8 23.6 26.8 204 207 A L E + 0 0 15 -11,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.790 68.3 9.0 -71.7 -31.5 38.7 25.6 29.4 205 208 A H E -G 193 0A 71 -12,-0.7 -12,-2.3 -3,-0.1 2,-0.4 -0.976 63.5-157.9-153.4 136.9 40.8 22.6 30.5 206 209 A V E -G 192 0A 0 -2,-0.3 7,-2.7 -14,-0.2 8,-0.8 -0.945 12.5-164.6-119.4 136.8 41.1 19.0 29.2 207 210 A Y E -GJ 191 212A 53 -16,-2.7 -16,-2.1 -2,-0.4 2,-0.5 -0.973 11.4-160.5-126.7 141.2 42.3 16.2 31.4 208 211 A L E > S-GJ 190 211A 32 3,-3.0 3,-2.0 -2,-0.4 -18,-0.2 -0.990 90.2 -12.6-119.0 117.8 43.6 12.7 30.5 209 212 A D T 3 S- 0 0 99 -20,-2.5 -1,-0.2 -2,-0.5 -19,-0.1 0.836 131.3 -57.7 53.3 34.6 43.4 10.3 33.5 210 213 A G T 3 S+ 0 0 52 -21,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.391 116.1 114.3 79.0 -3.8 42.7 13.4 35.6 211 214 A V E < S-J 208 0A 102 -3,-2.0 -3,-3.0 1,-0.0 -1,-0.2 -0.874 75.9-106.1-101.8 131.9 46.0 15.1 34.5 212 215 A E E +J 207 0A 95 -2,-0.5 -5,-0.3 -5,-0.3 4,-0.1 -0.328 44.2 162.7 -62.9 127.0 45.7 18.3 32.4 213 216 A V > + 0 0 20 -7,-2.7 4,-2.9 -2,-0.1 5,-0.2 0.068 30.9 124.9-130.1 24.4 46.6 17.9 28.7 214 217 A T H > S+ 0 0 8 -8,-0.8 4,-3.0 1,-0.2 5,-0.2 0.916 76.7 43.8 -52.8 -62.9 45.0 21.1 27.3 215 218 A E H > S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 115.0 52.1 -47.5 -46.0 48.1 22.5 25.5 216 219 A K H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.932 111.6 45.1 -58.6 -50.8 48.8 19.0 24.2 217 220 A V H X S+ 0 0 1 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.880 110.0 54.8 -63.0 -41.3 45.3 18.6 22.8 218 221 A I H X S+ 0 0 5 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.850 106.8 51.3 -63.0 -34.2 45.4 22.1 21.3 219 222 A D H < S+ 0 0 71 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 113.1 46.1 -67.4 -41.7 48.6 21.2 19.5 220 223 A L H < S+ 0 0 56 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.975 106.9 57.3 -59.0 -57.7 46.9 18.1 18.2 221 224 A V H < S+ 0 0 40 -4,-3.2 2,-0.9 1,-0.3 6,-0.2 0.861 111.5 42.5 -47.0 -51.7 43.7 19.9 17.1 222 225 A A S < S+ 0 0 9 -4,-1.6 -1,-0.3 1,-0.2 12,-0.0 -0.822 118.6 38.0 -98.7 92.0 45.5 22.3 14.9 223 226 A H 0 0 115 -2,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.320 360.0 360.0 153.7 -7.2 48.1 19.9 13.1 224 227 A P 0 0 136 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.982 360.0 360.0 -73.9 360.0 46.7 16.4 12.2 225 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 226 240 A L 0 0 127 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 174.6 37.9 22.5 12.5 227 241 A G + 0 0 58 -6,-0.2 -5,-0.1 1,-0.2 2,-0.1 0.798 360.0 168.8 61.6 32.4 40.5 24.3 10.3 228 242 A W - 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