==== 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 05-JUN-08 3DDH . COMPND 2 MOLECULE: PUTATIVE HALOACID DEHALOGENASE-LIKE FAMILY HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR M.E.CUFF,E.DUGGAN,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 2 0.4 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 2 0 0 0 1 5 0 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 0 A A 0 0 116 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -60.2 27.6 -21.4 16.2 2 1 A X >> + 0 0 13 226,-0.2 3,-1.8 2,-0.1 4,-1.5 0.733 360.0 84.4 -91.0 -33.4 25.6 -18.4 17.5 3 2 A K T 34 S+ 0 0 71 225,-0.3 -1,-0.1 1,-0.3 226,-0.0 0.549 92.3 45.9 -54.5 -12.1 22.2 -20.1 17.1 4 3 A E T 34 S+ 0 0 141 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.667 109.0 52.9-101.9 -19.8 22.5 -21.9 20.5 5 4 A L T <4 S+ 0 0 54 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.871 83.4 101.9 -77.0 -39.7 23.7 -19.0 22.7 6 5 A I < + 0 0 3 -4,-1.5 169,-0.2 1,-0.2 168,-0.1 -0.221 29.2 159.0 -65.7 125.6 21.0 -16.5 21.8 7 6 A K + 0 0 111 167,-2.7 115,-2.2 1,-0.3 2,-0.4 0.640 70.0 37.2-106.3 -32.2 18.2 -16.0 24.3 8 7 A V E -ab 122 175A 5 166,-2.1 168,-2.5 113,-0.2 2,-0.6 -0.986 59.1-163.8-128.0 132.1 16.9 -12.6 23.2 9 8 A I E -ab 123 176A 0 113,-2.5 115,-2.3 -2,-0.4 2,-0.4 -0.978 16.8-166.3-111.3 112.5 16.6 -11.1 19.6 10 9 A A E -ab 124 177A 0 166,-2.8 168,-2.5 -2,-0.6 2,-0.5 -0.813 1.5-158.8 -97.9 139.4 16.2 -7.4 19.8 11 10 A F E -ab 125 178A 0 113,-2.3 115,-2.3 -2,-0.4 168,-0.2 -0.986 16.3-133.3-117.4 132.6 15.1 -5.4 16.7 12 11 A D - 0 0 13 166,-2.7 115,-0.2 -2,-0.5 5,-0.1 -0.397 23.0-156.4 -59.2 151.9 15.5 -1.8 16.0 13 12 A A >>> + 0 0 0 113,-0.3 4,-2.6 3,-0.2 3,-2.0 0.866 63.7 74.3-102.2 -62.5 12.2 -0.5 14.8 14 13 A D B 345S-f 18 0B 28 1,-0.3 166,-0.3 2,-0.2 5,-0.2 -0.422 119.6 -3.4 -65.3 120.5 12.5 2.5 12.6 15 14 A D T 345S+ 0 0 17 3,-2.8 -1,-0.3 -2,-0.3 4,-0.2 0.567 132.1 65.8 70.6 16.2 13.9 1.7 9.1 16 15 A T T <45S+ 0 0 3 -3,-2.0 -2,-0.2 2,-0.4 -3,-0.2 0.597 115.4 17.2-122.5 -52.3 14.2 -2.0 10.2 17 16 A L T <5S+ 0 0 0 -4,-2.6 88,-2.1 1,-0.3 2,-0.3 0.785 139.2 3.5 -89.6 -33.6 10.6 -3.2 10.8 18 17 A W B > + 0 0 9 -2,-0.2 4,-1.9 82,-0.1 3,-0.6 0.595 56.2 63.0-125.8 -47.9 10.4 5.8 8.9 21 20 A E H 3> S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 97.0 59.4 -58.6 -41.4 13.0 8.2 7.5 22 21 A P H 3> S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.911 108.3 45.4 -55.1 -38.8 11.1 8.9 4.3 23 22 A F H <> S+ 0 0 63 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.903 112.8 49.9 -73.1 -39.5 8.2 10.3 6.2 24 23 A F H X S+ 0 0 33 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.879 110.7 52.1 -62.0 -39.4 10.5 12.3 8.5 25 24 A Q H X S+ 0 0 73 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.888 108.3 49.2 -63.2 -43.0 12.2 13.7 5.4 26 25 A E H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.861 109.7 51.6 -67.6 -37.2 8.9 14.8 3.8 27 26 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 110.8 49.3 -61.1 -45.0 7.8 16.6 7.1 28 27 A E H X S+ 0 0 38 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.870 109.1 52.0 -64.9 -36.9 11.2 18.4 7.1 29 28 A K H X S+ 0 0 111 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.907 109.7 48.6 -62.0 -45.0 10.8 19.4 3.4 30 29 A Q H X S+ 0 0 81 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.868 109.8 54.5 -63.6 -35.7 7.4 20.8 4.2 31 30 A Y H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 3,-0.3 0.938 107.9 47.4 -59.5 -49.3 9.0 22.6 7.1 32 31 A T H < S+ 0 0 9 -4,-2.4 4,-0.3 1,-0.3 3,-0.2 0.918 108.9 55.4 -62.8 -40.6 11.6 24.3 4.9 33 32 A D H >< S+ 0 0 88 -4,-2.4 3,-0.6 1,-0.2 -1,-0.3 0.833 107.7 50.1 -57.1 -35.5 8.9 25.2 2.5 34 33 A L H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.823 115.0 42.2 -72.4 -31.6 7.1 27.0 5.4 35 34 A L T >X S+ 0 0 0 -4,-1.7 3,-2.1 -3,-0.2 4,-0.6 0.201 76.5 119.9-103.3 17.9 10.2 28.9 6.4 36 35 A K G X4 + 0 0 137 -3,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.811 68.4 62.2 -52.3 -37.5 11.3 29.8 2.8 37 36 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.786 106.0 46.3 -59.7 -24.1 11.1 33.5 3.6 38 37 A Y G <4 S- 0 0 78 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.496 125.5 -34.3-101.4 -1.9 13.9 33.2 6.3 39 38 A G S << S- 0 0 12 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.1 -0.931 70.5 -65.7 165.1 171.1 16.4 31.0 4.4 40 39 A T > - 0 0 60 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.344 52.7-106.4 -73.7 161.1 17.2 28.3 1.9 41 40 A S H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.920 126.0 53.2 -55.7 -41.7 16.1 24.7 2.6 42 41 A K H > S+ 0 0 174 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 112.8 44.0 -56.8 -45.1 19.8 24.0 3.3 43 42 A E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.887 113.4 48.8 -68.4 -40.4 19.9 27.0 5.7 44 43 A I H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.970 112.2 49.7 -65.2 -50.4 16.6 26.1 7.4 45 44 A S H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.843 109.7 51.5 -52.9 -41.8 17.7 22.5 7.9 46 45 A A H X S+ 0 0 62 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.901 110.5 47.6 -65.3 -42.9 21.1 23.6 9.3 47 46 A A H X S+ 0 0 29 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.888 113.0 49.9 -63.7 -39.7 19.4 25.8 11.9 48 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.933 109.8 49.7 -63.6 -47.6 17.0 23.0 12.8 49 48 A F H X S+ 0 0 119 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 109.4 52.2 -60.2 -41.4 19.8 20.5 13.2 50 49 A Q H X S+ 0 0 101 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.879 110.1 48.5 -63.0 -37.8 21.7 22.9 15.5 51 50 A T H X S+ 0 0 16 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.933 109.8 52.1 -64.8 -47.5 18.6 23.4 17.7 52 51 A E H < S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.8 45.6 -56.1 -45.0 18.1 19.6 17.9 53 52 A X H >< S+ 0 0 91 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.876 111.6 50.1 -68.2 -39.6 21.7 19.2 19.0 54 53 A N H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.716 115.6 45.1 -69.4 -20.7 21.5 22.0 21.6 55 54 A N T >X>S+ 0 0 8 -4,-1.5 4,-3.6 -3,-0.1 5,-0.8 0.310 85.0 99.5-100.5 4.6 18.3 20.5 23.0 56 55 A L H <>5S+ 0 0 43 -3,-0.9 4,-0.8 1,-0.2 -1,-0.1 0.856 76.5 53.8 -69.5 -38.6 19.6 16.9 23.1 57 56 A Q H 345S+ 0 0 172 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.698 125.7 23.3 -73.2 -18.2 20.5 16.7 26.8 58 57 A I H <45S+ 0 0 33 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.697 135.9 29.6-113.3 -30.1 17.0 17.9 27.9 59 58 A L H <5S+ 0 0 2 -4,-3.6 -3,-0.2 -7,-0.2 6,-0.2 0.700 84.5 179.7 -99.3 -28.9 14.6 17.0 25.0 60 59 A G << - 0 0 11 -5,-0.8 2,-0.2 -4,-0.8 -1,-0.2 -0.298 40.0 -23.9 64.2-140.2 16.5 13.9 23.6 61 60 A Y S S+ 0 0 78 93,-0.2 4,-0.2 68,-0.1 3,-0.2 -0.649 84.7 54.7-109.9 158.4 15.2 12.0 20.6 62 61 A G S > S- 0 0 26 -2,-0.2 4,-2.4 67,-0.2 5,-0.1 -0.422 87.6 -55.5 115.2 178.0 11.8 11.5 18.9 63 62 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.799 126.1 51.4 -68.4 -32.6 8.8 13.2 17.4 64 63 A K H > S+ 0 0 10 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.954 112.0 47.2 -69.6 -43.0 7.9 15.5 20.5 65 64 A A H > S+ 0 0 6 -4,-0.2 4,-2.6 -6,-0.2 -2,-0.2 0.939 112.2 50.9 -59.2 -50.4 11.5 16.7 20.7 66 65 A F H X S+ 0 0 12 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.893 108.9 50.9 -56.1 -47.3 11.5 17.4 16.9 67 66 A T H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.945 111.2 47.8 -54.2 -50.9 8.2 19.4 17.1 68 67 A I H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.893 113.3 47.9 -62.0 -39.5 9.5 21.5 19.9 69 68 A S H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.876 108.9 53.4 -70.4 -36.5 12.8 22.1 18.0 70 69 A X H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.939 112.7 45.8 -60.2 -45.1 10.9 23.0 14.8 71 70 A V H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.968 114.3 46.4 -62.9 -51.1 8.9 25.6 16.8 72 71 A E H X S+ 0 0 54 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.892 113.1 49.2 -60.4 -39.5 12.0 27.0 18.5 73 72 A T H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.880 109.3 52.5 -68.3 -39.1 14.0 27.2 15.3 74 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 8,-0.3 0.909 112.7 45.5 -59.7 -45.9 11.1 29.0 13.5 75 74 A L H <>S+ 0 0 14 -4,-2.3 5,-2.3 2,-0.2 6,-0.2 0.929 117.2 43.7 -63.6 -47.6 10.9 31.5 16.3 76 75 A Q H ><5S+ 0 0 143 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.953 114.6 46.3 -65.7 -51.1 14.6 32.1 16.4 77 76 A I H 3<5S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 113.5 49.7 -70.4 -17.5 15.3 32.2 12.6 78 77 A S T ><5S- 0 0 7 -4,-1.1 3,-2.4 -5,-0.2 -1,-0.3 0.365 107.4-127.3 -95.1 2.9 12.4 34.6 12.0 79 78 A N T < 5S- 0 0 147 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.819 72.1 -55.4 47.3 38.2 13.7 36.8 14.9 80 79 A G T 3 > - 0 0 54 1,-0.1 4,-1.5 230,-0.1 3,-0.6 -0.421 15.6-123.9 -78.1 152.2 2.9 34.5 12.3 84 83 A A H 3> S+ 0 0 5 228,-0.3 4,-2.8 226,-0.2 5,-0.2 0.856 109.7 65.8 -63.6 -39.0 1.1 32.2 14.6 85 84 A D H 3> S+ 0 0 91 225,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.849 103.6 47.8 -48.0 -38.6 -0.8 30.6 11.7 86 85 A I H <> S+ 0 0 39 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.925 108.3 52.1 -76.1 -44.0 2.6 29.2 10.6 87 86 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.919 107.8 53.8 -54.3 -43.9 3.5 27.9 14.0 88 87 A R H X S+ 0 0 47 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.935 108.1 49.1 -57.0 -45.7 0.2 26.1 14.0 89 88 A Q H X S+ 0 0 96 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.910 111.0 51.2 -58.2 -41.4 1.1 24.5 10.7 90 89 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 108.6 49.6 -63.0 -44.0 4.5 23.5 12.2 91 90 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.923 110.1 51.3 -61.6 -42.0 2.9 21.9 15.2 92 91 A D H X S+ 0 0 80 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.875 107.6 53.9 -64.6 -37.2 0.5 19.9 13.0 93 92 A L H X S+ 0 0 15 -4,-2.0 4,-0.9 2,-0.2 3,-0.4 0.943 109.8 46.7 -58.1 -51.4 3.5 18.7 11.0 94 93 A G H >X S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.6 0.925 111.8 50.5 -58.5 -44.5 5.2 17.4 14.1 95 94 A K H >< S+ 0 0 22 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.785 98.8 66.9 -64.8 -25.6 2.0 15.8 15.2 96 95 A S H >< S+ 0 0 33 -4,-1.5 3,-1.2 -3,-0.4 -1,-0.2 0.809 91.6 62.8 -65.1 -29.5 1.7 14.1 11.8 97 96 A L H X< S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.9 -1,-0.2 0.847 98.4 56.1 -59.9 -32.6 4.8 12.1 12.7 98 97 A L T << S+ 0 0 3 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.515 111.3 42.4 -79.2 -7.2 2.7 10.6 15.5 99 98 A K T < S+ 0 0 113 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.159 83.3 147.8-120.2 15.8 0.0 9.4 13.1 100 99 A X < - 0 0 3 -3,-1.0 -3,-0.1 1,-0.1 2,-0.1 -0.200 55.0-110.7 -51.8 131.5 2.5 8.1 10.4 101 100 A P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.457 29.8-129.6 -61.8 143.8 1.2 5.1 8.4 102 101 A I - 0 0 29 38,-0.2 2,-0.6 -3,-0.1 -82,-0.1 -0.863 25.6-174.8 -99.1 116.1 3.3 2.0 9.2 103 102 A E - 0 0 122 -2,-0.6 -84,-2.0 -84,-0.4 38,-0.1 -0.944 21.5-133.8-115.7 109.9 4.6 0.4 6.1 104 103 A L B -G 18 0B 65 -2,-0.6 -86,-0.3 -86,-0.2 -87,-0.1 -0.209 16.5-123.5 -65.8 148.3 6.4 -2.9 6.9 105 104 A L > - 0 0 32 -88,-2.1 3,-1.7 1,-0.2 4,-0.4 -0.476 47.9 -65.3 -86.3 163.0 9.7 -3.6 5.2 106 105 A P T 3 S+ 0 0 74 0, 0.0 116,-0.8 0, 0.0 117,-0.2 -0.202 116.0 0.4 -54.2 133.2 10.3 -6.8 3.1 107 106 A G T 3> S+ 0 0 13 115,-0.2 4,-1.9 114,-0.1 5,-0.2 0.432 95.2 119.0 74.4 2.5 10.2 -10.1 4.9 108 107 A V H <> S+ 0 0 2 -3,-1.7 4,-2.3 2,-0.2 5,-0.3 0.953 72.8 43.8 -70.6 -53.0 9.4 -8.5 8.3 109 108 A K H > S+ 0 0 85 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.935 117.0 47.2 -58.9 -45.5 6.0 -10.1 9.1 110 109 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 111.5 50.6 -68.7 -34.0 7.2 -13.6 8.0 111 110 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.939 115.0 41.7 -66.0 -49.8 10.4 -13.4 10.0 112 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.912 114.6 50.8 -67.0 -42.9 8.8 -12.3 13.2 113 112 A K H X S+ 0 0 66 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.936 113.3 46.6 -60.4 -44.0 5.9 -14.8 12.8 114 113 A T H X S+ 0 0 57 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.939 113.8 46.8 -63.6 -48.7 8.3 -17.6 12.2 115 114 A L H >X S+ 0 0 6 -4,-2.6 4,-0.7 2,-0.2 3,-0.6 0.915 112.5 49.6 -58.6 -48.1 10.6 -16.7 15.1 116 115 A K H >< S+ 0 0 92 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.937 105.9 58.8 -55.6 -45.2 7.6 -16.3 17.5 117 116 A E H 3< S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 96.0 61.8 -62.5 -24.7 6.3 -19.7 16.4 118 117 A T H << S- 0 0 78 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.801 90.1-149.4 -66.4 -30.8 9.5 -21.5 17.5 119 118 A G << + 0 0 66 -3,-1.5 -3,-0.1 -4,-0.7 -2,-0.1 0.479 64.1 116.0 78.2 4.2 8.9 -20.4 21.1 120 119 A K + 0 0 98 -5,-0.5 2,-0.3 2,-0.0 -4,-0.1 0.650 65.6 34.1 -83.8 -22.6 12.7 -20.3 21.5 121 120 A Y - 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