==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-12 4F71 . COMPND 2 MOLECULE: PUTATIVE HALOACID DEHALOGENASE-LIKE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 397 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.5 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 . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 5 0 2 0 0 5 5 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A G 0 0 103 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 24.5 34.5 12.9 2 6 A I + 0 0 61 1,-0.1 163,-0.2 163,-0.0 162,-0.1 -0.702 360.0 163.6 -91.0 135.5 21.2 32.8 12.2 3 7 A K + 0 0 119 161,-2.8 98,-2.6 -2,-0.4 2,-0.4 0.625 59.9 55.6-116.3 -26.2 20.8 30.4 9.2 4 8 A N E -ab 101 165A 10 160,-2.2 162,-3.1 96,-0.2 2,-0.5 -0.889 58.4-155.3-121.9 142.3 17.7 28.5 10.0 5 9 A L E -ab 102 166A 1 96,-3.0 98,-3.1 -2,-0.4 2,-0.6 -0.964 1.7-163.8-117.6 128.1 14.1 29.3 10.8 6 10 A L E -ab 103 167A 0 160,-3.7 162,-2.7 -2,-0.5 2,-0.4 -0.961 18.2-165.7-105.6 112.2 11.8 27.0 12.8 7 11 A I E -ab 104 168A 0 96,-2.4 98,-2.7 -2,-0.6 2,-0.1 -0.873 12.1-140.2-107.5 133.6 8.3 28.2 12.3 8 12 A D - 0 0 8 160,-2.1 98,-0.2 -2,-0.4 161,-0.0 -0.478 6.6-153.1 -78.2 156.2 5.3 27.1 14.3 9 13 A L S >>S+ 0 0 6 96,-0.4 5,-2.6 -2,-0.1 4,-2.1 0.887 70.3 73.0 -95.4 -60.9 2.0 26.4 12.5 10 14 A G B 45S-e 14 0B 19 1,-0.2 2,-1.8 3,-0.2 160,-0.5 -0.375 121.3 -14.9 -62.1 123.3 -0.8 27.1 15.0 11 15 A G T 45S+ 0 0 14 3,-2.5 180,-0.3 1,-0.2 -1,-0.2 -0.267 129.3 70.2 84.5 -52.2 -1.3 30.8 15.7 12 16 A V T 45S+ 0 0 1 -2,-1.8 182,-0.2 156,-0.1 -1,-0.2 0.878 126.4 0.5 -68.4 -37.0 2.0 31.8 14.2 13 17 A L T <5S+ 0 0 0 -4,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.719 130.6 51.4-114.4 -55.9 0.8 31.0 10.6 14 18 A I B + 0 0 50 64,-2.5 4,-2.0 -2,-0.3 5,-0.1 -0.720 11.2 171.1-142.3 87.5 -11.0 29.6 16.4 18 22 A R H > S+ 0 0 76 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 81.5 54.6 -64.5 -42.3 -11.7 27.3 19.3 19 23 A E H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 108.2 48.8 -59.2 -43.9 -15.2 28.7 19.9 20 24 A R H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 111.1 50.9 -62.7 -43.6 -16.2 28.1 16.3 21 25 A C H X S+ 0 0 0 -4,-2.0 4,-1.9 59,-0.2 -2,-0.2 0.944 111.5 47.4 -58.6 -50.4 -14.9 24.5 16.6 22 26 A I H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 50.1 -52.7 -50.2 -16.9 24.0 19.8 23 27 A E H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.887 109.5 50.7 -59.4 -41.2 -20.0 25.4 18.3 24 28 A N H < S+ 0 0 52 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.826 109.7 50.8 -69.3 -31.6 -19.7 23.2 15.2 25 29 A F H ><>S+ 0 0 0 -4,-1.9 5,-2.0 52,-0.2 3,-1.0 0.898 109.4 50.0 -69.8 -41.4 -19.3 20.1 17.4 26 30 A K H ><5S+ 0 0 62 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.875 103.5 60.3 -67.1 -34.4 -22.4 21.0 19.4 27 31 A K T 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.607 105.2 48.9 -69.6 -12.4 -24.5 21.5 16.2 28 32 A I T < 5S- 0 0 45 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.249 131.3 -91.9-106.1 11.1 -23.8 17.9 15.2 29 33 A G T < 5S+ 0 0 19 -3,-1.7 2,-0.8 1,-0.1 -3,-0.2 0.732 86.9 126.8 92.7 24.3 -24.8 16.6 18.7 30 34 A F > < + 0 0 1 -5,-2.0 3,-1.5 1,-0.2 -1,-0.1 -0.679 33.7 174.6-105.2 76.0 -21.6 16.5 20.7 31 35 A Q T 3 + 0 0 128 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.801 69.9 42.6 -59.2 -39.7 -23.2 18.6 23.5 32 36 A N T >> + 0 0 57 1,-0.2 3,-2.1 -3,-0.1 4,-0.5 -0.097 68.9 129.8-101.1 35.3 -20.3 18.5 26.0 33 37 A I G X4 S+ 0 0 0 -3,-1.5 3,-1.2 1,-0.3 4,-0.2 0.841 70.4 60.9 -54.8 -33.3 -17.4 19.0 23.6 34 38 A E G 34 S+ 0 0 38 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.570 99.2 55.1 -76.5 -9.1 -16.1 21.8 25.8 35 39 A E G <4 S+ 0 0 69 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.529 96.0 67.1 -95.2 -8.8 -15.7 19.4 28.7 36 40 A K << 0 0 88 -3,-1.2 8,-0.2 -4,-0.5 -2,-0.2 0.422 360.0 360.0 -95.8 0.7 -13.5 17.1 26.7 37 41 A F 0 0 71 -4,-0.2 -3,-0.0 -3,-0.2 -4,-0.0 -0.679 360.0 360.0-166.2 360.0 -10.7 19.6 26.4 38 ! 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 39 45 A Q > 0 0 176 0, 0.0 3,-0.6 0, 0.0 6,-0.4 0.000 360.0 360.0 360.0 137.4 -6.8 14.3 29.5 40 46 A L T 3 + 0 0 142 1,-0.2 0, 0.0 5,-0.1 0, 0.0 0.854 360.0 43.4 -73.9 -36.3 -3.4 12.7 28.8 41 47 A D T 3 S+ 0 0 122 4,-0.1 -1,-0.2 5,-0.0 2,-0.0 0.341 94.6 125.0 -84.7 5.9 -4.9 9.4 27.7 42 48 A G S X> S- 0 0 9 -3,-0.6 4,-2.2 1,-0.1 3,-0.5 -0.289 73.9-119.6 -70.8 151.3 -7.5 11.5 25.7 43 49 A I H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.810 112.6 58.5 -62.1 -29.6 -7.9 10.9 22.0 44 50 A F H 3> S+ 0 0 35 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.896 110.7 41.2 -65.9 -39.7 -6.9 14.5 21.2 45 51 A L H <> S+ 0 0 52 -3,-0.5 4,-1.0 -6,-0.4 -2,-0.2 0.836 114.8 52.5 -75.6 -34.3 -3.6 14.0 22.9 46 52 A Q H <>S+ 0 0 53 -4,-2.2 5,-2.7 1,-0.2 6,-0.6 0.911 110.1 46.3 -70.7 -41.8 -3.1 10.6 21.4 47 53 A Q H ><5S+ 0 0 9 -4,-2.6 3,-0.9 1,-0.2 63,-0.3 0.808 104.9 62.8 -71.9 -27.1 -3.8 11.8 17.8 48 54 A E H 3<5S+ 0 0 50 -4,-1.1 60,-0.4 1,-0.3 -1,-0.2 0.850 112.0 36.8 -62.3 -33.6 -1.4 14.7 18.4 49 55 A K T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.263 117.0-112.3-104.7 8.8 1.4 12.3 18.9 50 56 A G T < 5S+ 0 0 18 -3,-0.9 -3,-0.2 -4,-0.1 -4,-0.1 0.635 76.2 133.0 72.7 15.1 0.2 9.8 16.3 51 57 A L S - 0 0 68 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.500 29.6-108.7 -87.9 162.5 -5.2 6.8 13.6 54 60 A P H > S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.904 123.5 53.9 -53.2 -43.6 -7.7 9.3 12.1 55 61 A A H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.894 109.4 47.6 -58.4 -41.3 -10.2 6.5 11.8 56 62 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 109.2 53.9 -69.0 -38.6 -9.7 5.8 15.6 57 63 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.954 109.2 47.5 -58.9 -50.2 -10.1 9.4 16.4 58 64 A R H X S+ 0 0 37 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.951 112.0 48.9 -57.4 -51.2 -13.4 9.7 14.6 59 65 A D H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.799 109.1 55.9 -58.6 -28.5 -14.7 6.5 16.3 60 66 A G H X S+ 0 0 12 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.923 108.8 45.3 -67.8 -44.5 -13.4 8.1 19.5 61 67 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.912 112.6 51.6 -62.3 -42.6 -15.6 11.1 18.8 62 68 A R H X>S+ 0 0 57 -4,-2.9 4,-2.6 1,-0.2 5,-0.7 0.907 107.4 55.6 -62.8 -39.6 -18.5 8.9 17.9 63 69 A E H <5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.0 37.0 -64.4 -42.6 -18.1 7.0 21.1 64 70 A M H <5S+ 0 0 57 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.570 117.9 56.7 -86.9 -2.6 -18.3 9.9 23.5 65 71 A M H <5S- 0 0 17 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.839 89.2-150.5 -92.4 -36.8 -20.9 11.3 21.3 66 72 A G T <5 + 0 0 58 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.958 57.5 95.0 62.6 52.7 -23.3 8.4 21.2 67 73 A K S - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.254 24.0-115.3 -72.2 159.2 -20.3 10.6 9.1 71 77 A D H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 115.7 53.4 -58.8 -44.6 -16.5 11.0 8.8 72 78 A K H > S+ 0 0 175 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 107.3 51.6 -60.6 -40.7 -16.9 14.1 6.7 73 79 A Q H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 111.0 46.9 -61.6 -49.2 -19.1 15.7 9.4 74 80 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.945 114.3 47.9 -56.8 -49.5 -16.6 15.0 12.1 75 81 A D H X S+ 0 0 32 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.864 109.0 53.6 -60.5 -39.3 -13.7 16.3 10.0 76 82 A A H X S+ 0 0 63 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.903 112.9 42.8 -64.6 -42.0 -15.6 19.5 9.1 77 83 A A H < S+ 0 0 5 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.916 116.0 47.5 -71.5 -42.9 -16.3 20.3 12.7 78 84 A W H >< S+ 0 0 23 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.896 113.2 49.7 -63.4 -39.1 -12.7 19.4 13.8 79 85 A N H >< S+ 0 0 17 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.677 91.0 77.3 -75.4 -19.4 -11.3 21.5 10.9 80 86 A S T 3< S+ 0 0 11 -4,-0.9 -1,-0.2 -3,-0.3 -59,-0.2 0.687 78.2 74.8 -65.4 -18.2 -13.4 24.5 11.8 81 87 A F T < S+ 0 0 49 -3,-1.1 -64,-2.5 -4,-0.4 2,-0.4 0.776 90.2 70.3 -59.1 -26.5 -10.9 25.1 14.6 82 88 A L E < +F 16 0C 8 -3,-2.0 -66,-0.2 -66,-0.2 -67,-0.0 -0.778 58.5 169.9 -96.3 138.5 -8.7 26.3 11.7 83 89 A V E - 0 0 50 -68,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.786 47.0 -48.2-109.5 -72.5 -9.5 29.5 9.9 84 90 A D E -F 15 0C 65 -69,-0.5 -69,-3.1 -71,-0.0 -1,-0.3 -0.995 25.8-127.7-162.3 159.5 -6.8 30.8 7.6 85 91 A I - 0 0 10 -2,-0.3 -71,-0.2 -71,-0.2 5,-0.1 -0.979 42.9-124.1-109.8 113.0 -3.2 31.7 6.9 86 92 A P >> - 0 0 19 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.295 17.1-125.7 -58.8 142.1 -3.2 35.3 5.6 87 93 A T H 3> S+ 0 0 77 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.735 106.7 67.6 -69.5 -20.9 -1.5 35.3 2.2 88 94 A Y H 3> S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.738 98.1 54.5 -67.4 -21.5 1.0 38.0 3.3 89 95 A K H <> S+ 0 0 2 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.842 105.5 51.1 -79.0 -34.5 2.4 35.3 5.6 90 96 A L H X S+ 0 0 2 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.914 109.8 50.5 -64.0 -42.5 2.9 33.0 2.7 91 97 A D H X S+ 0 0 65 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.958 109.1 52.2 -57.8 -47.5 4.7 35.8 0.9 92 98 A L H X S+ 0 0 28 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.910 108.5 49.8 -55.3 -46.8 6.8 36.3 4.0 93 99 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.942 113.4 45.4 -58.5 -49.7 7.7 32.6 4.0 94 100 A L H >X S+ 0 0 37 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.954 113.8 49.8 -58.4 -49.8 8.7 32.7 0.3 95 101 A K H >< S+ 0 0 130 -4,-3.3 3,-1.2 1,-0.2 4,-0.3 0.902 108.3 54.5 -53.5 -44.1 10.6 35.9 0.8 96 102 A L H >X S+ 0 0 11 -4,-2.9 3,-1.9 1,-0.2 4,-1.9 0.779 90.2 73.2 -65.2 -29.1 12.5 34.3 3.8 97 103 A R H << S+ 0 0 75 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.765 86.2 67.5 -58.7 -24.6 13.7 31.3 1.8 98 104 A E T << S+ 0 0 139 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.762 115.8 22.9 -65.9 -26.2 16.2 33.6 0.1 99 105 A K T <4 S+ 0 0 171 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.571 125.4 34.4-118.7 -13.7 18.2 34.2 3.3 100 106 A Y S < S- 0 0 60 -4,-1.9 2,-0.6 -95,-0.0 -96,-0.2 -0.928 74.6-112.2-137.1 159.7 17.4 31.2 5.6 101 107 A V E -a 4 0A 50 -98,-2.6 -96,-3.0 -2,-0.3 2,-0.5 -0.883 44.7-150.5 -87.1 124.7 16.7 27.5 5.5 102 108 A V E +a 5 0A 0 -2,-0.6 31,-3.3 -98,-0.2 32,-0.6 -0.881 21.1 171.6-111.9 124.3 13.0 27.4 6.6 103 109 A Y E -ac 6 134A 13 -98,-3.1 -96,-2.4 -2,-0.5 2,-0.4 -0.837 23.6-133.9-123.0 161.2 11.4 24.5 8.5 104 110 A L E -ac 7 135A 0 30,-1.9 32,-3.1 -2,-0.3 2,-0.4 -0.946 16.1-177.2-114.2 140.0 8.1 23.9 10.2 105 111 A L E + c 0 136A 0 -98,-2.7 -96,-0.4 -2,-0.4 2,-0.4 -0.938 19.9 162.6-134.6 116.0 7.6 22.4 13.6 106 112 A S E - c 0 137A 3 30,-2.3 32,-2.9 -2,-0.4 2,-0.9 -0.986 43.5-137.0-140.2 137.5 4.0 21.8 14.7 107 113 A N + 0 0 40 -2,-0.4 2,-0.2 30,-0.2 -97,-0.1 -0.859 63.3 123.8 -83.1 104.8 1.9 19.9 17.3 108 114 A T - 0 0 10 -2,-0.9 31,-0.6 -60,-0.4 2,-0.3 -0.794 51.8-116.3-149.1-169.8 -0.9 18.9 14.9 109 115 A N > - 0 0 10 -2,-0.2 4,-3.0 29,-0.1 5,-0.2 -0.917 30.7-102.9-140.0 162.4 -2.8 15.9 13.6 110 116 A D H > S+ 0 0 30 -63,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.886 117.8 50.9 -54.1 -44.5 -3.3 14.1 10.3 111 117 A I H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 115.3 40.7 -62.1 -47.5 -6.8 15.5 9.8 112 118 A H H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 113.1 54.9 -66.8 -42.7 -5.8 19.1 10.4 113 119 A W H X S+ 0 0 25 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.923 108.3 48.2 -59.7 -44.3 -2.6 18.7 8.4 114 120 A K H X S+ 0 0 121 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.7 49.8 -62.4 -41.6 -4.5 17.5 5.4 115 121 A W H X S+ 0 0 59 -4,-1.7 4,-3.0 -5,-0.2 5,-0.4 0.917 112.4 48.4 -62.3 -42.0 -6.9 20.3 5.6 116 122 A V H X>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-1.6 0.884 111.9 47.8 -64.0 -41.4 -4.0 22.8 5.9 117 123 A C H <5S+ 0 0 34 -4,-2.6 11,-0.3 -5,-0.2 -1,-0.2 0.836 120.3 39.4 -71.8 -30.3 -2.2 21.3 2.9 118 124 A K H <5S+ 0 0 151 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.852 130.9 20.9 -80.5 -39.2 -5.4 21.3 0.9 119 125 A N H <5S+ 0 0 80 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.724 125.5 32.0-114.2 -27.2 -6.9 24.7 2.0 120 126 A A T <5S+ 0 0 12 -4,-1.6 -3,-0.2 -5,-0.4 -35,-0.1 0.840 114.9 46.3-104.5 -41.4 -4.4 27.1 3.5 121 127 A F S -G 126 0D 31 3,-2.1 3,-2.5 -2,-0.2 2,-0.2 -0.898 61.2 -37.2-162.0 121.0 -1.5 29.9 -3.2 124 130 A R T 3 S- 0 0 192 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.478 126.3 -31.3 52.9-123.6 -0.8 31.0 -6.7 125 131 A T T 3 S+ 0 0 124 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.501 117.5 108.5 -97.7 -4.7 1.2 28.1 -8.0 126 132 A F B < -G 123 0D 56 -3,-2.5 -3,-2.1 -5,-0.1 2,-0.2 -0.395 42.8-177.4 -79.5 146.9 2.8 27.4 -4.6 127 133 A K >> - 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