==== 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-OCT-08 3EU8 . COMPND 2 MOLECULE: PUTATIVE GLUCOAMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1688 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1167 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.6 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 . 3 0.2 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 . 65 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 213 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 613 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.1 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 0 4 1 7 0 4 4 0 0 4 0 0 11 7 10 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 43 12 8 8 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 . 24 0 4 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 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 30 A K 0 0 124 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 134.2 -11.7 26.1 157.2 2 31 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.530 360.0 155.5 -76.9 142.8 -9.3 28.3 155.2 3 32 A S > - 0 0 10 -2,-0.2 3,-0.8 4,-0.1 561,-0.2 -0.983 56.6-114.8-159.7 157.0 -6.2 29.4 157.2 4 33 A S T 3 S+ 0 0 4 559,-2.2 560,-0.1 -2,-0.3 -1,-0.1 0.757 118.5 54.6 -66.7 -26.8 -2.6 30.6 156.8 5 34 A A T 3 S+ 0 0 58 558,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.522 88.6 94.7 -86.4 -7.7 -1.5 27.3 158.6 6 35 A T S < S- 0 0 86 -3,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.629 83.2-105.5 -83.0 141.9 -3.5 25.0 156.1 7 36 A S - 0 0 76 -2,-0.3 -4,-0.1 1,-0.1 -1,-0.1 -0.255 36.1 -93.3 -63.6 152.6 -1.5 23.6 153.2 8 37 A L - 0 0 24 1,-0.1 -1,-0.1 341,-0.1 487,-0.1 -0.309 46.7-107.3 -52.7 141.9 -1.7 24.7 149.5 9 38 A T > - 0 0 89 485,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.352 32.4-107.7 -60.5 162.0 -4.1 22.7 147.5 10 39 A D H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 121.0 51.9 -58.9 -41.2 -2.4 20.3 145.0 11 40 A D H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.7 44.5 -67.1 -41.2 -3.5 22.6 142.1 12 41 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.878 114.2 50.6 -72.8 -39.5 -2.0 25.8 143.7 13 42 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.941 112.9 45.0 -58.7 -49.3 1.1 23.9 144.7 14 43 A X H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.927 112.7 52.2 -64.4 -42.7 1.5 22.6 141.1 15 44 A D H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.928 111.8 46.4 -52.0 -51.4 0.8 26.1 139.7 16 45 A T H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 114.0 47.0 -63.9 -45.1 3.4 27.6 141.9 17 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 114.3 48.3 -61.3 -43.9 6.0 24.9 141.0 18 47 A Q H X S+ 0 0 3 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.890 109.5 51.5 -64.9 -42.7 5.2 25.3 137.3 19 48 A R H X S+ 0 0 31 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.957 115.3 41.6 -61.4 -49.7 5.4 29.1 137.3 20 49 A R H X S+ 0 0 82 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.852 116.0 48.3 -64.7 -40.2 8.8 29.1 139.0 21 50 A T H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.850 110.1 52.5 -73.5 -35.7 10.2 26.2 137.0 22 51 A F H >X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 3,-0.6 0.878 102.7 60.1 -55.6 -42.2 9.0 27.8 133.7 23 52 A N H 3X>S+ 0 0 46 -4,-1.7 4,-2.0 1,-0.2 5,-1.5 0.775 92.8 66.5 -65.4 -23.3 10.8 30.9 134.9 24 53 A Y H 3<5S+ 0 0 1 -4,-0.8 4,-0.4 -3,-0.3 -1,-0.2 0.946 112.4 32.3 -56.6 -48.2 14.1 28.9 134.8 25 54 A F H <<5S+ 0 0 5 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.752 127.2 42.2 -83.1 -24.6 13.8 28.6 131.0 26 55 A W H <5S+ 0 0 32 -4,-1.8 3,-0.3 2,-0.1 -3,-0.2 0.934 128.2 21.4 -88.6 -55.7 12.1 32.0 130.5 27 56 A D T <5S+ 0 0 97 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.818 129.0 45.8 -84.0 -34.7 13.9 34.4 132.8 28 57 A A S - 0 0 1 5,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.467 40.1-136.3 -60.1 124.9 21.2 32.2 128.2 31 60 A P T 4 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 92.1 48.6 -65.3 -28.4 20.6 35.7 126.6 32 61 A N T 4 S+ 0 0 92 1,-0.1 76,-0.1 20,-0.1 -2,-0.0 0.910 126.1 23.1 -76.6 -46.0 22.6 35.3 123.3 33 62 A S T 4 S- 0 0 1 2,-0.1 57,-0.3 57,-0.0 58,-0.1 0.747 91.0-134.4 -88.8 -30.3 21.1 32.0 122.1 34 63 A G < + 0 0 1 -4,-2.3 53,-0.2 1,-0.3 2,-0.1 0.443 63.6 128.8 80.5 2.9 17.9 32.0 124.0 35 64 A L - 0 0 3 -5,-0.2 -5,-2.3 1,-0.1 2,-0.3 -0.357 68.1 -80.5 -92.6 172.3 18.6 28.3 124.9 36 65 A A - 0 0 6 19,-0.4 19,-2.0 -7,-0.2 2,-0.2 -0.520 42.7-124.5 -72.8 129.0 18.6 26.5 128.3 37 66 A R B -A 54 0A 35 -9,-0.4 344,-0.8 -2,-0.3 17,-0.3 -0.501 10.8-135.9 -69.2 135.9 21.7 26.9 130.4 38 67 A E S S+ 0 0 17 15,-2.6 343,-1.2 -2,-0.2 344,-0.4 0.926 87.8 4.5 -56.0 -45.2 23.3 23.6 131.3 39 68 A R E -D 380 0B 31 14,-0.4 2,-0.3 11,-0.2 341,-0.2 -0.970 59.4-168.6-144.0 151.3 23.7 24.9 134.9 40 69 A Y E -D 379 0B 57 339,-2.1 339,-2.3 -2,-0.3 2,-0.6 -0.913 9.2-163.6-149.3 118.3 22.8 28.0 136.9 41 70 A H E > -D 378 0B 10 -2,-0.3 3,-1.8 337,-0.2 337,-0.2 -0.899 14.5-159.8-114.2 113.5 24.3 28.7 140.4 42 71 A X T 3 S+ 0 0 82 335,-2.8 336,-0.1 -2,-0.6 -1,-0.1 0.780 97.1 58.2 -63.5 -24.6 22.6 31.2 142.7 43 72 A D T 3 S- 0 0 77 334,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.541 105.6-130.9 -78.4 -12.8 26.0 31.4 144.6 44 73 A G < + 0 0 51 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.358 63.9 126.6 81.8 -2.0 27.9 32.4 141.4 45 74 A E - 0 0 131 5,-0.0 -1,-0.2 1,-0.0 -2,-0.1 -0.784 32.7-179.6 -95.6 126.7 30.7 29.9 141.7 46 75 A Y > + 0 0 60 -2,-0.5 3,-0.5 1,-0.1 4,-0.0 -0.808 10.9 164.9-129.4 88.2 31.3 27.7 138.7 47 76 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.651 79.2 34.1 -78.1 -16.3 34.1 25.2 139.3 48 77 A A T 3 S- 0 0 80 1,-0.5 2,-0.1 0, 0.0 -2,-0.0 -0.261 129.5 -31.2-138.8 47.2 33.4 22.9 136.3 49 78 A G S < S- 0 0 35 -3,-0.5 -1,-0.5 3,-0.0 0, 0.0 0.049 70.3 -95.6 108.6 142.4 32.0 25.0 133.5 50 79 A G > - 0 0 13 -3,-0.1 3,-1.3 1,-0.1 -11,-0.2 -0.299 27.0-108.4 -91.4 172.7 30.0 28.2 133.3 51 80 A P T 3 S+ 0 0 26 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 0.585 107.4 75.8 -73.9 -9.6 26.4 29.2 132.9 52 81 A E T 3 S+ 0 0 58 -15,-0.1 55,-2.6 -22,-0.1 2,-0.3 0.623 73.2 99.1 -78.1 -14.9 27.0 30.5 129.3 53 82 A I E < - B 0 106A 8 -3,-1.3 -15,-2.6 53,-0.2 -14,-0.4 -0.618 62.8-157.2 -73.1 128.4 27.1 26.8 128.1 54 83 A V E -AB 37 105A 0 51,-3.0 51,-2.0 -2,-0.3 2,-0.4 -0.852 5.0-139.1-113.9 146.8 23.8 25.8 126.6 55 84 A T E > - B 0 104A 0 -19,-2.0 4,-1.3 -2,-0.4 -19,-0.4 -0.885 4.1-151.2-111.1 132.4 22.5 22.2 126.3 56 85 A S H > S+ 0 0 0 47,-2.6 4,-1.7 -2,-0.4 -1,-0.1 0.960 98.4 39.8 -64.2 -54.4 20.7 20.8 123.3 57 86 A G H > S+ 0 0 0 46,-0.3 4,-2.0 1,-0.2 5,-0.2 0.919 116.2 50.6 -62.1 -46.9 18.6 18.1 125.1 58 87 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.801 107.6 54.8 -59.8 -32.4 17.9 20.4 128.1 59 88 A S H X S+ 0 0 3 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.845 103.7 55.7 -72.4 -33.0 16.8 23.0 125.6 60 89 A G H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.933 110.4 44.2 -59.4 -47.3 14.3 20.5 124.1 61 90 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 113.9 52.7 -60.4 -45.8 12.8 20.0 127.6 62 91 A G H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.859 103.5 53.2 -60.5 -41.1 12.8 23.7 128.1 63 92 A I H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.833 110.0 51.1 -67.5 -29.7 11.0 24.6 124.9 64 93 A X H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.871 108.3 50.0 -68.5 -42.1 8.3 22.2 126.0 65 94 A A H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.886 111.1 51.0 -58.2 -38.8 8.1 23.9 129.4 66 95 A I H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.897 105.7 54.5 -68.2 -41.9 7.8 27.2 127.5 67 96 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.924 106.6 52.1 -50.9 -50.5 4.9 25.7 125.4 68 97 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.892 110.0 50.0 -51.4 -44.5 3.1 24.8 128.6 69 98 A G H <>S+ 0 0 0 -4,-1.5 5,-2.8 2,-0.2 6,-0.6 0.878 109.8 48.0 -65.1 -43.0 3.6 28.5 129.7 70 99 A I H ><5S+ 0 0 9 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.931 110.6 53.4 -58.7 -46.6 2.3 30.0 126.5 71 100 A D H 3<5S+ 0 0 43 -4,-2.6 361,-0.4 1,-0.3 -2,-0.2 0.779 113.5 42.3 -64.9 -29.7 -0.8 27.6 126.7 72 101 A R T 3<5S- 0 0 28 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.392 116.7-111.3 -93.5 -3.5 -1.5 28.8 130.3 73 102 A G T < 5S+ 0 0 4 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.741 72.7 139.2 76.2 23.3 -0.9 32.5 129.5 74 103 A Y S - 0 0 40 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.289 31.2-114.4 -75.2 161.0 1.7 36.2 125.6 77 106 A R H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.883 119.4 51.1 -54.8 -43.4 1.5 34.3 122.3 78 107 A E H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 111.9 44.4 -65.8 -47.8 3.5 37.1 120.7 79 108 A E H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.927 113.8 52.3 -58.9 -47.6 6.3 36.9 123.4 80 109 A G H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.919 109.9 48.2 -55.0 -47.8 6.2 33.1 123.2 81 110 A L H X S+ 0 0 18 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.904 107.3 55.0 -64.6 -39.1 6.7 33.3 119.4 82 111 A R H X S+ 0 0 161 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.863 109.3 48.6 -62.3 -36.9 9.6 35.8 119.6 83 112 A R H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.904 110.5 49.4 -65.3 -46.0 11.4 33.3 121.9 84 113 A X H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.905 109.7 52.7 -60.4 -41.9 10.8 30.4 119.6 85 114 A E H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 109.9 48.9 -58.6 -43.5 12.1 32.5 116.7 86 115 A K H X S+ 0 0 93 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.913 113.1 46.2 -60.6 -49.0 15.3 33.3 118.7 87 116 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 115.0 46.0 -62.0 -49.7 15.9 29.6 119.7 88 117 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.911 109.2 56.6 -61.3 -43.1 15.3 28.4 116.1 89 118 A G H X S+ 0 0 22 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.913 108.6 46.9 -51.6 -46.3 17.5 31.2 114.8 90 119 A F H >X S+ 0 0 5 -4,-1.9 4,-3.0 -57,-0.3 3,-1.0 0.910 110.2 52.0 -62.1 -44.5 20.4 29.9 117.0 91 120 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 105.7 56.0 -62.9 -32.0 19.8 26.3 115.9 92 121 A E H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.664 120.8 28.6 -73.4 -18.4 20.0 27.4 112.2 93 122 A K H << S+ 0 0 160 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.644 98.9 96.0-115.1 -24.3 23.4 29.0 112.7 94 123 A A S < S- 0 0 8 -4,-3.0 17,-0.2 1,-0.2 16,-0.1 -0.173 90.5 -70.6 -70.3 161.6 25.1 26.9 115.6 95 124 A D - 0 0 48 15,-2.6 2,-0.3 2,-0.0 -1,-0.2 -0.299 56.2-179.6 -53.9 129.8 27.5 24.0 115.0 96 125 A R - 0 0 73 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.931 19.3-151.8-131.2 157.4 25.8 20.8 113.6 97 126 A F B > S-E 100 0C 22 3,-2.8 3,-1.4 -2,-0.3 66,-0.1 -0.888 82.1 -25.8-137.3 101.7 27.2 17.5 112.6 98 127 A K T 3 S- 0 0 89 -2,-0.4 65,-2.2 1,-0.2 68,-0.2 0.847 124.5 -56.2 54.2 40.6 25.4 15.5 109.9 99 128 A G T 3 S+ 0 0 12 1,-0.3 -1,-0.2 63,-0.2 2,-0.2 0.385 118.7 113.0 73.6 -1.8 22.3 17.5 110.9 100 129 A A B < -E 97 0C 0 -3,-1.4 -3,-2.8 63,-0.1 -1,-0.3 -0.560 64.3-124.0 -89.7 164.3 22.6 16.3 114.5 101 130 A Y - 0 0 0 22,-0.4 22,-2.7 -5,-0.2 26,-0.3 -0.764 18.2-113.7-107.6 152.7 23.4 18.7 117.3 102 131 A P - 0 0 1 0, 0.0 -46,-0.3 0, 0.0 20,-0.2 -0.369 28.7-113.3 -72.0 163.5 26.2 18.6 119.9 103 132 A H S S+ 0 0 30 18,-0.4 -47,-2.6 1,-0.2 2,-0.3 0.965 96.7 18.1 -58.4 -50.1 25.5 18.0 123.6 104 133 A W E -B 55 0A 30 9,-0.5 9,-2.3 -49,-0.2 2,-0.3 -0.905 58.1-179.7-128.3 148.4 26.7 21.6 124.4 105 134 A W E -BC 54 112A 0 -51,-2.0 -51,-3.0 -2,-0.3 2,-0.7 -0.932 40.0-109.4-127.1 158.3 27.5 24.9 122.7 106 135 A N E >> -B 53 0A 28 5,-2.2 4,-2.5 -2,-0.3 3,-1.2 -0.834 30.7-146.3 -75.8 116.8 28.8 28.1 124.1 107 136 A G T 34 S+ 0 0 4 -55,-2.6 -1,-0.1 -2,-0.7 -54,-0.1 0.779 94.6 57.0 -59.9 -28.3 25.6 30.2 123.8 108 137 A E T 34 S+ 0 0 118 -56,-0.3 -1,-0.2 1,-0.1 -55,-0.1 0.634 121.1 23.9 -79.9 -16.9 27.7 33.3 123.1 109 138 A T T <4 S- 0 0 76 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.609 89.8-128.9-120.6 -24.0 29.5 31.8 120.1 110 139 A G < + 0 0 7 -4,-2.5 -15,-2.6 1,-0.3 2,-0.3 0.532 66.5 131.1 76.9 8.0 27.3 29.0 118.6 111 140 A H - 0 0 111 -5,-0.5 -5,-2.2 -17,-0.2 -1,-0.3 -0.710 66.9 -95.0 -96.7 147.4 30.4 26.7 118.7 112 141 A V B -C 105 0A 35 -2,-0.3 -7,-0.3 -7,-0.2 -1,-0.1 -0.203 27.5-150.4 -54.4 136.8 30.5 23.2 120.2 113 142 A Q - 0 0 77 -9,-2.3 -9,-0.5 -59,-0.2 -10,-0.1 -0.963 23.9-139.5-108.9 109.6 31.6 23.0 123.7 114 143 A P - 0 0 59 0, 0.0 2,-0.7 0, 0.0 6,-0.2 -0.350 8.6-144.1 -69.0 148.1 33.3 19.5 124.0 115 144 A F B > S-F 119 0D 140 4,-1.6 4,-0.6 1,-0.3 3,-0.1 -0.938 79.0 -25.4 -98.6 107.4 32.9 17.2 126.9 116 145 A G T >4 S- 0 0 50 -2,-0.7 3,-1.1 1,-0.2 -1,-0.3 0.268 98.7 -62.1 65.9 160.3 36.3 15.7 127.0 117 146 A Q T 34 S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.1 3,-0.0 0.737 128.3 34.1 -51.1 -47.4 38.7 15.4 124.1 118 147 A K T 34 S+ 0 0 75 1,-0.2 2,-1.3 -3,-0.1 -1,-0.3 0.571 96.5 80.9 -94.3 -11.6 36.8 13.2 121.6 119 148 A D B << +F 115 0D 18 -3,-1.1 -4,-1.6 -4,-0.6 -1,-0.2 -0.616 55.9 116.9 -95.7 72.7 33.1 14.2 122.3 120 149 A N + 0 0 25 -2,-1.3 -1,-0.2 -6,-0.2 -8,-0.1 0.088 64.9 49.4-125.5 17.8 33.3 17.3 120.1 121 150 A G S S- 0 0 2 1,-0.3 -18,-0.4 -3,-0.2 59,-0.2 -0.215 99.0 -13.5-127.8-139.5 30.7 16.5 117.4 122 151 A G E -G 179 0E 0 57,-2.1 57,-1.4 -20,-0.2 2,-0.4 -0.351 42.1-164.9 -70.7 144.2 27.1 15.2 117.1 123 152 A D E > -G 178 0E 2 -22,-2.7 4,-1.5 55,-0.2 -22,-0.4 -0.967 2.1-170.1-126.4 110.3 25.3 13.6 120.1 124 153 A L H > S+ 0 0 0 53,-3.1 4,-2.1 -2,-0.4 54,-0.1 0.766 83.4 57.0 -77.5 -23.5 22.3 11.8 118.7 125 154 A V H > S+ 0 0 2 52,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.965 111.4 42.8 -68.5 -51.2 20.7 11.1 122.1 126 155 A E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.864 111.8 55.4 -59.6 -41.3 20.7 14.8 122.9 127 156 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 -26,-0.3 -1,-0.2 0.905 105.8 52.4 -56.7 -45.7 19.4 15.5 119.3 128 157 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.885 109.0 48.6 -59.0 -42.0 16.6 13.2 120.0 129 158 A F H X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.911 112.8 48.8 -67.6 -38.4 15.6 15.1 123.2 130 159 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.927 113.1 46.9 -61.0 -46.6 15.8 18.4 121.3 131 160 A X H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.836 103.2 60.7 -69.2 -35.2 13.7 17.1 118.5 132 161 A Q H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.883 112.5 41.4 -55.9 -40.1 11.0 15.6 120.8 133 162 A G H >X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.3 3,-0.6 0.947 114.5 50.1 -69.4 -51.3 10.6 19.2 122.0 134 163 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.842 106.6 54.0 -61.4 -38.9 10.8 20.9 118.6 135 164 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.813 106.4 53.6 -66.3 -29.1 8.2 18.5 117.0 136 165 A A H < S+ 0 0 0 -4,-2.0 3,-2.1 285,-0.2 -2,-0.2 0.518 88.2 98.0 -98.5 -8.5 1.9 26.1 115.7 142 171 A A T 3< S+ 0 0 34 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.787 100.1 27.4 -54.2 -32.6 0.8 24.0 112.7 143 172 A E T 3 S+ 0 0 158 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.032 106.7 102.9-119.2 32.1 -2.6 25.7 112.6 144 173 A G S < S- 0 0 12 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.0 0.155 79.7 -40.5 -93.6-152.6 -1.6 29.0 114.2 145 174 A S > - 0 0 33 1,-0.1 4,-2.9 4,-0.0 -1,-0.3 -0.162 59.7-103.1 -67.1 167.0 -0.9 32.4 112.9 146 175 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.907 126.6 48.5 -56.5 -42.3 0.9 33.0 109.6 147 176 A E H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.872 112.0 47.0 -66.8 -39.9 4.0 33.9 111.7 148 177 A E H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 112.1 51.2 -67.6 -42.5 3.7 30.8 114.0 149 178 A K H X S+ 0 0 112 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.853 106.6 54.5 -63.3 -35.4 3.2 28.6 110.9 150 179 A K H X S+ 0 0 109 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.920 109.8 47.1 -61.2 -44.6 6.4 30.2 109.3 151 180 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.917 108.3 55.0 -64.0 -44.2 8.3 29.2 112.5 152 181 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.866 105.3 54.3 -55.6 -40.5 6.9 25.7 112.3 153 182 A G H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.869 105.7 51.5 -62.6 -38.1 8.2 25.4 108.7 154 183 A R H X S+ 0 0 80 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.917 110.0 50.0 -66.4 -40.9 11.7 26.3 109.9 155 184 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.881 107.1 54.3 -59.1 -43.2 11.5 23.6 112.6 156 185 A D H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 107.2 51.1 -62.2 -37.5 10.3 21.1 109.9 157 186 A K H X S+ 0 0 100 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.924 110.0 49.0 -64.0 -46.0 13.4 21.9 107.8 158 187 A L H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.938 112.2 50.0 -55.8 -47.8 15.7 21.3 110.9 159 188 A W H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.912 109.3 50.8 -53.9 -48.3 13.9 18.1 111.5 160 189 A R H 3< S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 104.7 59.0 -61.6 -31.6 14.4 17.0 107.9 161 190 A E H 3< S+ 0 0 58 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.2 0.596 75.1 107.0 -75.3 -16.5 18.1 17.8 108.0 162 191 A V << - 0 0 0 -3,-1.0 2,-1.3 -4,-0.6 -63,-0.2 -0.553 60.9-152.5 -69.9 121.0 18.9 15.4 110.8 163 192 A D > + 0 0 39 -65,-2.2 4,-0.8 -2,-0.5 3,-0.4 -0.630 27.3 164.0 -97.4 76.1 20.8 12.4 109.2 164 193 A W T >4 S+ 0 0 0 -2,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.881 74.2 60.0 -60.4 -39.7 19.8 9.6 111.6 165 194 A N G >4 S+ 0 0 58 45,-1.6 3,-1.9 1,-0.2 6,-0.4 0.877 94.3 63.8 -61.1 -35.3 20.9 7.0 109.1 166 195 A W G >4 S+ 0 0 85 -3,-0.4 3,-1.5 1,-0.3 4,-0.5 0.895 94.2 62.9 -47.6 -42.6 24.5 8.5 109.1 167 196 A Y G << S+ 0 0 0 -4,-0.8 9,-2.5 -3,-0.8 -1,-0.3 0.357 78.6 84.3 -76.6 6.8 24.8 7.4 112.8 168 197 A R G <> S- 0 0 28 -3,-1.9 4,-1.7 7,-0.2 -1,-0.3 0.467 98.5-129.4 -80.8 -3.4 24.4 3.8 111.8 169 198 A H T <4 S- 0 0 59 -3,-1.5 -2,-0.1 1,-0.2 -3,-0.1 0.957 82.8 -15.4 56.8 60.3 28.2 3.8 111.2 170 199 A G T 4 S- 0 0 81 -4,-0.5 -1,-0.2 -5,-0.2 -4,-0.1 0.837 126.6 -55.4 80.0 39.8 28.0 2.3 107.7 171 200 A G T 4 S+ 0 0 41 -6,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.699 84.9 158.8 76.4 21.6 24.5 0.9 107.7 172 201 A Q < - 0 0 74 -4,-1.7 2,-1.3 2,-0.1 -1,-0.2 -0.341 53.5-109.2 -72.5 158.0 24.7 -1.3 110.8 173 202 A N S S+ 0 0 52 42,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.393 94.1 61.8 -88.1 60.4 21.5 -2.3 112.6 174 203 A V S S- 0 0 12 -2,-1.3 2,-0.4 46,-0.1 -2,-0.1 -0.944 79.3-114.9-168.8 158.6 22.1 -0.0 115.6 175 204 A L - 0 0 0 16,-0.4 16,-2.7 -2,-0.3 2,-0.3 -0.923 20.9-142.5-106.7 135.6 22.5 3.7 116.4 176 205 A Y B -H 190 0F 20 -9,-2.5 -52,-0.2 -2,-0.4 -7,-0.1 -0.762 10.4-139.0 -92.0 141.2 25.8 5.2 117.7 177 206 A W S S+ 0 0 36 12,-1.9 -53,-3.1 -2,-0.3 -52,-0.5 0.862 78.4 29.6 -67.0 -40.8 25.5 7.9 120.3 178 207 A H E -G 123 0E 19 -55,-0.2 2,-0.3 11,-0.1 -55,-0.2 -0.854 50.1-179.4-127.7 154.1 28.3 10.2 118.9 179 208 A W E -G 122 0E 34 -57,-1.4 -57,-2.1 -2,-0.3 6,-0.2 -0.928 11.1-165.8-148.5 135.9 30.1 11.2 115.7 180 209 A S B > -I 184 0G 2 4,-2.0 4,-2.1 -2,-0.3 6,-0.1 -0.958 23.5-144.9-119.5 135.1 33.1 13.6 115.4 181 210 A P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -60,-0.1 0.890 109.1 35.6 -57.5 -36.8 34.5 15.3 112.2 182 211 A E T 4 S+ 0 0 135 1,-0.1 -64,-0.1 2,-0.1 -61,-0.0 0.892 132.3 25.5 -82.8 -48.1 37.9 15.0 113.9 183 212 A Y T >4 S- 0 0 35 1,-0.2 3,-1.8 -65,-0.2 -1,-0.1 0.386 85.2-164.2-104.5 1.9 37.6 11.7 115.8 184 213 A G B 3< -I 180 0G 22 -4,-2.1 -4,-2.0 1,-0.2 3,-0.3 -0.246 67.8 -15.2 56.1-122.0 35.0 9.9 113.7 185 214 A W T > S+ 0 0 54 -6,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.175 96.3 118.6-101.4 16.9 33.5 6.9 115.5 186 215 A E T < + 0 0 109 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.734 66.5 64.0 -64.3 -25.2 36.2 6.6 118.3 187 216 A X T 3 S- 0 0 76 -3,-0.3 -1,-0.3 -69,-0.2 -2,-0.1 0.875 86.3-171.2 -62.8 -36.0 33.7 7.2 121.1 188 217 A N < + 0 0 102 -3,-1.4 -2,-0.1 -10,-0.2 -3,-0.1 0.878 20.7 154.0 53.1 58.0 32.2 4.0 119.9 189 218 A F - 0 0 102 -11,-0.2 -12,-1.9 2,-0.0 2,-0.2 -0.738 22.7-169.7-122.0 82.3 29.0 3.8 121.9 190 219 A P B -H 176 0F 36 0, 0.0 2,-0.7 0, 0.0 -14,-0.2 -0.548 28.5-123.3 -67.3 142.9 26.3 1.7 120.1 191 220 A V + 0 0 0 -16,-2.7 -16,-0.4 -2,-0.2 2,-0.3 -0.814 35.8 171.3-103.7 112.1 23.1 2.2 122.0 192 221 A H - 0 0 49 -2,-0.7 29,-0.2 -18,-0.1 30,-0.2 -0.887 29.8 -76.4-113.8 145.4 21.3 -0.8 123.4 193 222 A G S S+ 0 0 0 28,-2.9 3,-0.1 -2,-0.3 49,-0.0 -0.281 85.4 54.2 -91.0 175.8 18.3 -0.7 125.8 194 223 A Y S S+ 0 0 0 49,-0.1 49,-2.5 1,-0.1 2,-0.2 0.472 83.8 91.8 -88.8 137.5 16.8 -0.4 128.3 195 224 A N S > S- 0 0 10 47,-0.2 3,-0.6 57,-0.1 -1,-0.1 -0.834 92.1 -65.0-156.5-160.6 18.0 3.1 129.2 196 225 A E T 3 S+ 0 0 25 -2,-0.2 3,-0.4 1,-0.2 -3,-0.1 0.474 108.9 84.0 -75.5 0.7 16.8 6.7 128.7 197 226 A C T >> + 0 0 1 1,-0.2 3,-0.9 -5,-0.1 4,-0.9 0.183 45.9 110.5 -96.3 11.5 17.3 6.6 124.9 198 227 A L H X> S+ 0 0 0 -3,-0.6 4,-2.2 1,-0.2 3,-0.7 0.876 74.4 60.6 -54.0 -42.9 14.1 5.1 123.5 199 228 A I H 3> S+ 0 0 1 -3,-0.4 4,-2.6 1,-0.3 5,-0.2 0.824 96.9 62.2 -60.5 -31.0 12.9 8.3 121.9 200 229 A X H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.3 0.914 106.6 43.3 -55.4 -49.7 16.1 8.4 119.7 201 230 A Y H > - 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