==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-AUG-12 4GNV . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DIS . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 35 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.2 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 4 0 4 0 4 1 3 2 0 2 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 4 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 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 3 A T 0 0 138 0, 0.0 54,-0.0 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 153.3 19.7 -33.5 14.4 2 4 A T - 0 0 88 24,-0.1 2,-0.1 54,-0.0 56,-0.1 -0.859 360.0 -89.4-119.0 154.3 21.6 -30.3 14.9 3 5 A P - 0 0 5 0, 0.0 26,-0.3 0, 0.0 302,-0.1 -0.367 37.4-146.8 -68.8 137.6 21.5 -27.1 13.0 4 6 A G - 0 0 6 24,-1.9 23,-0.2 21,-0.2 24,-0.1 -0.283 28.0-100.9 -87.1-177.6 23.8 -26.7 10.0 5 7 A P S S+ 0 0 8 0, 0.0 272,-2.8 0, 0.0 2,-0.5 0.494 87.9 91.2 -86.1 -7.3 25.3 -23.4 8.8 6 8 A V E -ab 28 277A 0 21,-2.4 23,-3.1 270,-0.2 24,-1.9 -0.835 48.6-168.6-102.8 127.9 23.0 -22.6 5.9 7 9 A M E +ab 30 278A 0 270,-3.1 272,-2.6 -2,-0.5 24,-0.2 -0.960 26.2 157.9-105.0 123.7 19.9 -20.4 6.0 8 10 A L E -a 31 0A 2 22,-2.1 24,-2.4 -2,-0.5 2,-0.3 -0.553 32.7-110.6-131.7-174.1 17.9 -20.7 2.7 9 11 A D - 0 0 0 270,-0.3 2,-0.2 22,-0.2 24,-0.1 -0.844 20.9-118.1-125.3 163.3 14.3 -20.2 1.6 10 12 A V - 0 0 1 22,-0.3 271,-0.1 -2,-0.3 5,-0.1 -0.513 27.4-113.7 -96.8 165.3 11.4 -22.4 0.5 11 13 A V S S- 0 0 73 -2,-0.2 2,-0.2 3,-0.1 4,-0.1 0.746 76.2 -37.9 -77.2 -22.4 9.7 -22.2 -2.9 12 14 A G S S- 0 0 17 2,-0.2 -2,-0.1 25,-0.1 4,-0.1 -0.794 81.9 -43.8-168.8-152.8 6.3 -21.0 -1.9 13 15 A T S S+ 0 0 50 -2,-0.2 2,-0.3 23,-0.1 34,-0.1 0.598 118.4 36.8 -82.8 -17.5 3.3 -20.8 0.3 14 16 A T S S- 0 0 108 33,-0.1 -2,-0.2 32,-0.0 2,-0.1 -0.966 97.6 -98.9-129.2 149.1 3.1 -24.6 0.9 15 17 A L - 0 0 35 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.1 -0.408 35.6-154.0 -72.2 140.4 6.1 -27.0 1.3 16 18 A S > - 0 0 34 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.655 30.6-106.9-104.0 166.1 7.3 -29.0 -1.7 17 19 A R H > S+ 0 0 220 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.878 122.3 53.2 -56.4 -39.7 9.2 -32.3 -1.9 18 20 A D H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 107.5 50.4 -66.3 -39.8 12.2 -30.4 -3.0 19 21 A D H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.928 108.6 53.0 -59.2 -45.6 12.0 -28.0 0.1 20 22 A A H X S+ 0 0 32 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 106.8 52.5 -61.3 -39.3 11.7 -31.1 2.3 21 23 A R H X S+ 0 0 115 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.939 112.7 44.2 -60.2 -45.4 14.9 -32.6 0.8 22 24 A R H >< S+ 0 0 4 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.896 109.9 55.7 -67.9 -40.7 16.8 -29.4 1.5 23 25 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 107.1 51.2 -61.7 -27.4 15.3 -29.0 5.0 24 26 A A H 3< S+ 0 0 61 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.534 82.8 113.5 -84.0 -10.7 16.6 -32.4 5.9 25 27 A H S X< S- 0 0 30 -3,-1.2 3,-2.2 -4,-0.5 -21,-0.2 -0.391 72.8-130.3 -67.5 134.5 20.2 -31.8 4.7 26 28 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.797 106.0 58.7 -57.6 -25.9 22.6 -31.8 7.6 27 29 A N T 3 S+ 0 0 47 -23,-0.2 -21,-2.4 263,-0.1 2,-0.4 0.484 84.5 99.4 -83.9 -1.2 24.1 -28.4 6.4 28 30 A T E < +a 6 0A 0 -3,-2.2 -24,-1.9 -23,-0.2 -21,-0.2 -0.728 33.4 155.5 -86.7 129.7 20.7 -26.7 6.7 29 31 A G E + 0 0 0 -23,-3.1 30,-1.8 -2,-0.4 2,-0.3 0.476 57.5 20.0-124.2 -12.4 20.2 -24.6 9.8 30 32 A G E -ac 7 59A 0 -24,-1.9 -22,-2.1 28,-0.2 2,-0.4 -0.991 48.2-142.4-156.1 163.1 17.6 -22.0 8.9 31 33 A V E -ac 8 60A 0 28,-2.7 30,-2.9 -2,-0.3 2,-0.4 -0.998 14.6-159.6-124.8 132.9 14.8 -20.7 6.7 32 34 A I E - c 0 61A 2 -24,-2.4 -22,-0.3 -2,-0.4 2,-0.3 -0.932 15.3-148.5-106.3 131.9 14.3 -17.0 5.8 33 35 A L E - c 0 62A 0 28,-2.2 30,-0.6 -2,-0.4 2,-0.2 -0.796 12.7-171.0-102.5 147.0 10.8 -16.0 4.7 34 36 A F > - 0 0 23 -2,-0.3 3,-1.9 28,-0.1 4,-0.1 -0.715 45.1 -85.8-123.4 179.4 9.9 -13.2 2.2 35 37 A A G > S+ 0 0 55 1,-0.3 3,-2.1 -2,-0.2 38,-0.1 0.846 122.2 64.5 -58.1 -34.6 6.6 -11.6 1.1 36 38 A R G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 -23,-0.1 0.657 94.4 61.8 -66.2 -14.9 6.0 -14.3 -1.4 37 39 A H G < S+ 0 0 0 -3,-1.9 2,-0.5 1,-0.1 -1,-0.3 0.390 93.4 79.6 -86.0 0.7 5.7 -16.8 1.4 38 40 A F < + 0 0 24 -3,-2.1 3,-0.1 1,-0.2 -1,-0.1 -0.951 30.0 143.3-123.3 116.2 2.7 -15.0 2.9 39 41 A Q S S- 0 0 129 1,-0.5 2,-0.3 -2,-0.5 -1,-0.2 0.683 80.7 -30.3-106.1 -45.9 -0.9 -15.2 1.8 40 42 A N > - 0 0 51 1,-0.1 4,-2.5 36,-0.0 -1,-0.5 -0.958 66.9 -90.5-164.6 170.3 -2.6 -14.9 5.2 41 43 A R H > S+ 0 0 58 -2,-0.3 4,-2.9 34,-0.2 5,-0.2 0.890 120.8 51.7 -59.3 -45.7 -1.9 -15.9 8.8 42 44 A A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 112.9 46.4 -59.0 -41.3 -3.5 -19.4 8.6 43 45 A Q H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 113.5 47.9 -68.5 -40.8 -1.4 -20.2 5.6 44 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.909 110.6 51.0 -67.6 -42.7 1.8 -18.9 7.1 45 47 A T H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.909 110.8 49.4 -60.3 -43.4 1.2 -20.7 10.4 46 48 A A H X S+ 0 0 58 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.889 110.9 51.4 -61.2 -40.6 0.7 -24.0 8.5 47 49 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.942 111.0 44.9 -63.9 -49.7 3.8 -23.4 6.5 48 50 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 67,-0.3 5,-0.2 0.933 112.5 52.4 -64.4 -38.9 6.1 -22.8 9.5 49 51 A D H X S+ 0 0 82 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.925 109.5 50.6 -58.8 -42.1 4.5 -25.8 11.3 50 52 A S H X S+ 0 0 39 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.857 108.3 51.9 -66.7 -32.6 5.3 -27.9 8.2 51 53 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.4 0.938 110.2 47.3 -67.3 -47.9 8.9 -26.7 8.1 52 54 A R H < S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.810 104.9 62.4 -64.0 -29.2 9.5 -27.6 11.8 53 55 A A H < S+ 0 0 88 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.863 109.5 40.2 -66.9 -34.4 7.9 -31.0 11.1 54 56 A V H < S+ 0 0 57 -4,-1.2 2,-0.4 -3,-0.4 -2,-0.2 0.891 133.7 19.8 -75.6 -42.8 10.6 -31.8 8.7 55 57 A R >< - 0 0 8 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.3 -0.851 65.6-170.0-135.4 99.4 13.5 -30.3 10.7 56 58 A E T 3 S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.790 86.8 49.4 -63.1 -29.8 12.7 -29.9 14.4 57 59 A D T 3 S+ 0 0 19 2,-0.1 -1,-0.3 -55,-0.0 -5,-0.1 0.280 82.6 130.2 -96.0 8.7 15.8 -27.8 15.2 58 60 A I < - 0 0 0 -3,-1.8 2,-0.5 -7,-0.1 -28,-0.2 -0.323 52.2-137.6 -63.2 144.5 15.4 -25.3 12.3 59 61 A L E -c 30 0A 1 -30,-1.8 -28,-2.7 250,-0.1 2,-0.5 -0.910 15.3-157.6-100.4 129.1 15.5 -21.6 12.9 60 62 A I E +c 31 0A 0 -2,-0.5 58,-1.7 -30,-0.2 59,-1.5 -0.947 19.9 170.7-112.9 123.0 12.8 -19.5 11.0 61 63 A A E -cd 32 119A 0 -30,-2.9 -28,-2.2 -2,-0.5 2,-0.3 -0.824 13.9-176.4-128.2 164.8 13.6 -15.8 10.4 62 64 A V E -cd 33 120A 0 57,-1.2 59,-2.1 -2,-0.3 2,-1.2 -0.980 37.0-105.7-154.4 156.7 12.2 -12.8 8.5 63 65 A D + 0 0 21 -30,-0.6 8,-1.1 -2,-0.3 2,-0.6 -0.751 49.4 157.4 -86.2 92.0 13.1 -9.2 7.8 64 66 A H E +E 70 0B 2 -2,-1.2 6,-0.2 6,-0.2 56,-0.1 -0.850 15.9 133.0-115.2 88.3 10.6 -7.3 10.0 65 67 A E E - 0 0 2 4,-2.5 5,-0.2 -2,-0.6 2,-0.2 0.770 61.2-118.9 -94.6 -38.2 12.2 -4.0 10.6 66 68 A G E > S+E 69 0B 3 3,-2.3 3,-1.9 -3,-0.2 17,-0.2 -0.422 76.9 39.7 105.7 164.6 9.2 -1.7 9.9 67 69 A G T 3 S+ 0 0 18 13,-2.7 -1,-0.2 1,-0.3 13,-0.1 -0.377 129.6 1.8 63.1-121.2 8.8 1.0 7.3 68 70 A R T 3 S+ 0 0 123 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.548 131.1 58.6 -76.7 -11.2 10.3 -0.1 4.0 69 71 A V E < +E 66 0B 15 -3,-1.9 -4,-2.5 69,-0.0 -3,-2.3 -0.839 66.6 113.9-125.7 92.5 11.4 -3.5 5.3 70 72 A Q E -E 64 0B 3 -2,-0.5 -6,-0.2 -6,-0.2 -36,-0.0 -0.761 39.6-166.8-160.2 104.9 8.4 -5.6 6.5 71 73 A R S S+ 0 0 74 -8,-1.1 2,-0.6 -2,-0.2 -33,-0.1 0.870 78.1 50.4 -67.3 -40.9 7.5 -8.7 4.7 72 74 A F + 0 0 0 1,-0.1 -1,-0.2 6,-0.1 -37,-0.0 -0.908 57.3 146.6-108.5 111.5 4.0 -9.4 6.2 73 75 A R + 0 0 98 -2,-0.6 2,-0.2 6,-0.1 3,-0.2 0.218 53.2 59.9-129.7 11.3 1.8 -6.3 6.2 74 76 A T S > S+ 0 0 88 1,-0.2 3,-1.5 4,-0.1 -35,-0.0 -0.742 75.9 47.8-134.1-179.2 -1.7 -7.7 5.8 75 77 A D T 3 S- 0 0 68 1,-0.3 -34,-0.2 -2,-0.2 -1,-0.2 0.896 134.0 -39.5 46.6 48.5 -4.2 -10.0 7.5 76 78 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.298 98.5 135.1 93.8 -13.3 -3.7 -8.4 10.9 77 79 A F < - 0 0 9 -3,-1.5 2,-0.4 1,-0.1 -1,-0.3 -0.566 60.0-119.3 -63.2 132.7 0.0 -7.9 10.9 78 80 A T - 0 0 24 -2,-0.3 2,-0.6 29,-0.1 -4,-0.1 -0.652 17.2-126.0 -78.2 127.4 0.6 -4.4 12.2 79 81 A V - 0 0 92 -2,-0.4 -6,-0.1 -6,-0.1 -1,-0.1 -0.669 33.6-151.7 -74.5 115.1 2.3 -2.0 9.8 80 82 A L - 0 0 4 -2,-0.6 -13,-2.7 -13,-0.1 3,-0.1 -0.606 14.5-102.6 -95.1 151.6 5.2 -0.8 11.9 81 83 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.298 37.7 -96.5 -64.7 155.3 7.0 2.6 11.5 82 84 A A >> - 0 0 6 -16,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.456 39.1-119.6 -57.9 141.4 10.3 3.2 9.8 83 85 A M H >> S+ 0 0 2 1,-0.3 3,-1.2 -17,-0.2 4,-1.2 0.807 111.2 71.3 -63.0 -26.5 12.9 3.2 12.6 84 86 A R H 3> S+ 0 0 69 53,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.833 88.6 64.0 -52.5 -34.6 13.8 6.8 11.7 85 87 A R H <> S+ 0 0 88 -3,-1.8 4,-2.0 52,-0.3 -1,-0.2 0.828 98.4 54.2 -60.7 -32.5 10.3 7.8 13.1 86 88 A L H X S+ 0 0 22 -4,-2.0 4,-2.9 1,-0.2 3,-1.4 0.932 107.5 54.9 -62.9 -43.8 10.2 11.0 18.5 90 92 A W H 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.885 100.2 59.5 -55.3 -41.9 13.3 10.9 20.7 91 93 A D H 3< S+ 0 0 111 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.722 115.5 36.0 -62.4 -21.0 14.2 14.4 19.5 92 94 A R H << S+ 0 0 87 -3,-1.4 2,-0.3 -4,-0.6 -2,-0.2 0.806 140.2 2.5 -95.0 -41.4 10.9 15.5 21.0 93 95 A D X - 0 0 67 -4,-2.9 4,-2.2 -5,-0.1 -1,-0.2 -0.818 59.2-167.4-155.8 101.6 10.6 13.3 24.0 94 96 A V H > S+ 0 0 50 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.931 89.5 45.7 -57.8 -52.6 13.4 10.8 25.0 95 97 A L H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 112.3 49.9 -67.3 -42.4 11.6 8.8 27.5 96 98 A L H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 107.2 56.5 -60.9 -39.8 8.4 8.4 25.4 97 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.913 106.5 49.5 -58.6 -40.7 10.5 7.3 22.5 98 100 A T H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.877 111.4 49.2 -66.5 -36.7 12.0 4.5 24.6 99 101 A K H X S+ 0 0 28 -4,-1.7 4,-1.9 2,-0.2 452,-0.3 0.902 112.9 46.5 -67.8 -45.4 8.5 3.4 25.7 100 102 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.901 107.4 57.7 -66.1 -39.3 7.2 3.4 22.2 101 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.927 108.1 47.8 -57.0 -41.4 10.3 1.4 21.0 102 104 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.906 110.4 50.7 -64.7 -43.1 9.4 -1.3 23.5 103 105 A A H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 110.4 49.8 -62.5 -41.9 5.8 -1.4 22.4 104 106 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.939 111.7 49.0 -59.8 -48.8 6.9 -1.7 18.7 105 107 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.895 111.0 49.7 -58.0 -41.9 9.3 -4.6 19.6 106 108 A Y H X S+ 0 0 17 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.926 113.6 44.6 -64.8 -48.7 6.6 -6.4 21.6 107 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.944 113.3 51.9 -58.6 -49.2 4.0 -6.1 18.8 108 110 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.945 117.0 37.9 -52.0 -55.4 6.6 -7.1 16.2 109 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.897 113.8 53.3 -68.2 -43.2 7.7 -10.2 18.1 110 112 A A H X S+ 0 0 9 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.899 110.3 47.5 -64.3 -39.3 4.3 -11.3 19.4 111 113 A E H X S+ 0 0 3 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.916 113.6 48.1 -69.2 -40.6 2.7 -11.3 15.9 112 114 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.9 -5,-0.3 3,-1.0 0.933 110.9 50.7 -62.2 -42.8 5.7 -13.2 14.4 113 115 A R H ><5S+ 0 0 37 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.861 101.5 62.0 -65.4 -34.4 5.6 -15.8 17.2 114 116 A A H 3<5S+ 0 0 1 -4,-1.8 203,-0.5 1,-0.3 -1,-0.3 0.765 107.4 45.3 -61.4 -27.2 1.8 -16.2 16.7 115 117 A C T <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.8 -67,-0.3 0.223 125.3-102.8 -99.0 10.9 2.7 -17.5 13.1 116 118 A G T < 5S+ 0 0 17 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.769 71.3 143.7 80.4 28.4 5.5 -19.7 14.4 117 119 A I < - 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0 0 21 -148,-0.1 2,-0.4 1,-0.1 -148,-0.2 -0.299 41.8-130.6 -64.8 151.7 9.3 -17.4 34.8 656 315 B R - 0 0 98 -150,-2.7 -344,-0.1 -194,-0.1 -1,-0.1 -0.822 51.7 -8.7-111.0 140.9 9.4 -18.2 31.1 657 316 B G S S- 0 0 33 -2,-0.4 2,-0.2 -346,-0.1 -346,-0.1 -0.090 95.7 -32.2 77.6-175.2 11.2 -20.8 29.2 658 317 B K - 0 0 104 -346,-0.0 2,-0.4 1,-0.0 -2,-0.1 -0.482 54.9-150.4 -82.0 145.8 14.0 -23.2 30.1 659 318 B A - 0 0 45 -2,-0.2 2,-0.3 -202,-0.1 -2,-0.0 -0.952 16.8-116.2-116.8 146.6 16.5 -22.3 32.7 660 319 B L - 0 0 77 -2,-0.4 2,-0.1 1,-0.1 0, 0.0 -0.583 29.8-118.6 -73.1 137.5 20.2 -23.5 32.9 661 320 B K >> - 0 0 69 -2,-0.3 4,-2.8 1,-0.1 3,-0.7 -0.368 36.4 -99.7 -66.9 154.6 21.2 -25.6 35.9 662 321 B W H 3> S+ 0 0 20 -204,-0.4 4,-2.3 1,-0.2 5,-0.2 0.860 120.4 51.8 -47.3 -47.8 23.9 -24.0 38.1 663 322 B D H 34 S+ 0 0 123 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.842 114.9 43.4 -68.5 -29.4 26.8 -26.0 36.7 664 323 B K H X4 S+ 0 0 49 -3,-0.7 3,-1.0 2,-0.2 4,-0.4 0.901 111.5 55.0 -77.5 -42.7 25.9 -25.0 33.1 665 324 B L H >< S+ 0 0 2 -4,-2.8 3,-1.7 1,-0.2 6,-0.2 0.914 102.8 54.3 -54.8 -46.9 25.2 -21.4 34.0 666 325 B I T 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.652 111.5 45.7 -74.0 -10.3 28.5 -20.7 35.6 667 326 B A T < S+ 0 0 69 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.354 85.5 117.1-103.5 0.3 30.3 -21.9 32.4 668 327 B Q <> - 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