==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-12 4DCC . 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 . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 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 . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.9 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 2 0 0 1 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 . 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 0 0 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 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 K 0 0 129 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.8 26.9 12.8 21.4 2 5 A G - 0 0 52 1,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.415 360.0-113.2 -70.8 143.6 25.3 13.6 18.0 3 6 A I + 0 0 49 1,-0.2 165,-0.2 -2,-0.1 164,-0.1 -0.646 41.8 161.4 -82.1 128.1 22.1 11.8 17.0 4 7 A K + 0 0 119 163,-2.7 100,-2.6 -2,-0.4 2,-0.4 0.658 61.9 45.5-107.9 -26.5 22.4 9.4 14.1 5 8 A N E -ab 104 168A 9 162,-2.2 164,-2.4 98,-0.2 2,-0.4 -0.950 59.3-156.7-127.7 141.5 19.2 7.2 14.6 6 9 A L E -ab 105 169A 1 98,-2.6 100,-3.0 -2,-0.4 2,-0.5 -0.955 1.9-162.6-114.4 140.4 15.6 7.9 15.4 7 10 A L E -ab 106 170A 0 162,-2.8 164,-2.4 -2,-0.4 2,-0.4 -0.991 19.1-167.5-118.3 116.8 13.2 5.4 16.9 8 11 A I E -ab 107 171A 0 98,-2.8 100,-2.5 -2,-0.5 164,-0.2 -0.913 14.0-135.1-113.6 131.9 9.6 6.5 16.3 9 12 A D - 0 0 13 162,-2.4 100,-0.2 -2,-0.4 163,-0.0 -0.443 6.3-150.7 -74.4 155.0 6.4 5.1 17.9 10 13 A L S >>S+ 0 0 6 98,-0.2 5,-2.5 3,-0.1 4,-2.5 0.920 73.2 71.5 -88.0 -64.7 3.4 4.4 15.8 11 14 A G B 45S-e 15 0B 18 99,-0.2 2,-2.4 1,-0.2 162,-0.4 -0.290 121.8 -14.3 -60.3 129.2 0.4 4.9 18.2 12 15 A G T 45S+ 0 0 14 3,-2.7 182,-0.3 1,-0.2 -1,-0.2 -0.260 130.9 67.9 77.4 -57.2 -0.2 8.6 18.9 13 16 A V T 45S- 0 0 1 -2,-2.4 184,-0.2 158,-0.1 -1,-0.2 0.894 127.7 -0.1 -65.3 -39.7 3.1 9.8 17.6 14 17 A L T <5S+ 0 0 0 -4,-2.5 2,-0.5 1,-0.3 -3,-0.2 0.735 131.1 48.2-110.6 -58.2 2.2 8.9 14.0 15 18 A I B + 0 0 59 66,-2.4 4,-1.7 -2,-0.3 5,-0.1 -0.708 10.5 172.2-143.1 87.1 -9.8 6.8 19.1 19 22 A R H > S+ 0 0 128 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 82.4 56.4 -62.5 -40.4 -10.5 4.4 22.0 20 23 A E H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 106.7 47.9 -58.8 -46.7 -14.0 5.6 22.4 21 24 A R H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 112.5 49.6 -61.9 -38.9 -14.9 4.9 18.8 22 25 A C H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.961 111.5 47.8 -68.1 -48.5 -13.5 1.4 19.0 23 26 A I H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.929 114.0 47.7 -55.6 -48.2 -15.3 0.6 22.3 24 27 A E H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 108.9 53.4 -65.3 -36.6 -18.6 1.9 20.8 25 28 A N H X S+ 0 0 44 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.868 108.7 50.3 -67.3 -31.7 -18.1 -0.0 17.6 26 29 A F H >X>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 4,-0.6 0.917 109.1 50.9 -69.4 -42.0 -17.6 -3.2 19.7 27 30 A K H ><5S+ 0 0 61 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.910 105.6 58.3 -58.3 -43.4 -20.8 -2.5 21.6 28 31 A K H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.9 48.3 -58.9 -31.8 -22.7 -2.0 18.3 29 32 A I H <<5S- 0 0 26 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.505 135.6 -83.3 -89.5 -2.8 -21.8 -5.5 17.1 30 33 A G T <<5S+ 0 0 28 -3,-1.3 2,-2.8 -4,-0.6 3,-0.3 0.374 87.8 129.3 127.4 -3.2 -22.9 -6.9 20.4 31 34 A F > < + 0 0 7 -5,-2.5 3,-1.4 1,-0.2 4,-0.2 -0.360 31.8 165.7 -78.2 64.7 -20.1 -6.7 23.0 32 35 A Q T 3 + 0 0 80 -2,-2.8 2,-0.5 1,-0.3 3,-0.4 0.882 68.8 38.8 -52.5 -52.9 -22.6 -5.0 25.3 33 36 A N T 3> S+ 0 0 38 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 -0.253 74.9 124.9 -96.1 46.3 -20.6 -5.3 28.5 34 37 A I H <> S+ 0 0 3 -3,-1.4 4,-1.4 -2,-0.5 -1,-0.2 0.870 78.7 47.2 -72.7 -37.2 -17.2 -4.5 27.0 35 38 A E H > S+ 0 0 94 -3,-0.4 4,-1.4 -4,-0.2 -1,-0.2 0.857 112.8 50.7 -67.5 -35.0 -16.6 -1.7 29.5 36 39 A E H > S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.847 110.3 49.4 -69.3 -36.5 -17.7 -4.1 32.2 37 40 A K H X>S+ 0 0 16 -4,-2.0 4,-1.6 2,-0.2 6,-1.1 0.740 102.3 62.9 -70.3 -30.8 -15.2 -6.7 30.9 38 41 A F H <5S+ 0 0 51 -4,-1.4 6,-0.3 2,-0.2 -2,-0.2 0.937 105.5 44.4 -62.4 -44.1 -12.5 -4.1 30.8 39 42 A C H <5S+ 0 0 104 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 107.8 59.3 -64.1 -37.7 -12.8 -3.8 34.6 40 43 A T H <5S- 0 0 71 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.859 99.5-141.8 -58.9 -35.5 -13.0 -7.5 34.9 41 44 A H T X5S+ 0 0 120 -4,-1.6 4,-1.4 -3,-0.2 -1,-0.1 0.307 70.5 119.9 84.9 -0.9 -9.6 -7.6 33.3 42 45 A Q H >> S+ 0 0 0 -6,-1.1 3,-1.7 1,-0.2 4,-1.6 0.994 96.1 63.6 -62.6 -57.9 -9.9 -8.4 28.4 44 47 A D H 3> S+ 0 0 57 1,-0.3 4,-2.5 -6,-0.3 5,-0.2 0.746 100.1 57.6 -49.3 -33.7 -6.5 -7.1 29.4 45 48 A G H 3X S+ 0 0 32 -4,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.934 107.8 43.6 -58.1 -49.9 -5.2 -10.6 29.0 46 49 A I H S+ 0 0 85 -4,-2.2 5,-2.9 -5,-0.2 6,-0.7 0.885 110.5 48.8 -66.4 -40.8 -1.2 -11.4 24.5 50 53 A Q H ><5S+ 0 0 10 -4,-1.8 3,-1.4 1,-0.2 63,-0.3 0.884 107.0 57.5 -62.6 -38.4 -2.0 -10.1 21.1 51 54 A E H 3<5S+ 0 0 54 -4,-1.9 60,-0.5 1,-0.3 -1,-0.2 0.783 110.6 42.4 -68.8 -28.2 0.4 -7.2 21.6 52 55 A K T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.300 114.5-114.3 -98.7 7.7 3.2 -9.6 22.2 53 56 A G T < 5S+ 0 0 22 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.741 77.1 132.8 69.4 24.1 2.2 -12.0 19.4 54 57 A L < + 0 0 101 -5,-2.9 2,-0.3 -6,-0.2 -4,-0.2 0.631 70.0 36.6 -84.6 -20.1 1.5 -14.7 22.0 55 58 A I S S- 0 0 24 -6,-0.7 -2,-0.1 -9,-0.1 0, 0.0 -0.934 89.0-119.3-123.9 156.8 -1.9 -15.4 20.3 56 59 A T > - 0 0 72 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.363 31.2-104.8 -83.7 167.5 -2.6 -15.4 16.6 57 60 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.879 123.7 56.7 -59.8 -35.1 -5.2 -13.1 15.0 58 61 A A H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 108.6 46.1 -60.6 -44.9 -7.5 -16.2 14.7 59 62 A E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 109.0 55.6 -63.8 -39.2 -7.2 -16.7 18.5 60 63 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.945 110.9 43.4 -59.2 -47.7 -7.8 -13.1 19.2 61 64 A R H X S+ 0 0 40 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.903 113.6 50.6 -68.0 -42.1 -11.1 -13.1 17.2 62 65 A D H X S+ 0 0 94 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.897 110.1 52.2 -61.3 -36.9 -12.2 -16.4 18.7 63 66 A G H X S+ 0 0 19 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.842 109.5 48.5 -68.2 -35.8 -11.4 -14.9 22.1 64 67 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.935 111.4 49.2 -67.4 -48.3 -13.6 -11.8 21.3 65 68 A R H X>S+ 0 0 30 -4,-2.8 4,-1.5 1,-0.2 5,-1.1 0.881 109.6 53.2 -57.6 -38.9 -16.5 -14.0 20.2 66 69 A E H <5S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.2 45.1 -66.8 -40.3 -16.2 -16.1 23.3 67 70 A M H <5S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 115.0 48.6 -72.5 -25.8 -16.4 -13.0 25.5 68 71 A M H <5S- 0 0 22 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.710 95.0-141.6 -82.5 -21.9 -19.3 -11.6 23.5 69 72 A G T <5 + 0 0 73 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.783 69.8 106.2 59.3 27.7 -21.2 -14.9 23.5 70 73 A K S - 0 0 53 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.238 20.2-115.2 -76.0 164.4 -17.8 -12.5 11.7 74 77 A D H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.894 118.3 57.1 -62.5 -40.1 -14.0 -11.9 11.4 75 78 A K H > S+ 0 0 173 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 107.7 47.4 -58.0 -41.0 -14.8 -9.0 9.2 76 79 A Q H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 112.7 47.3 -66.2 -47.3 -16.9 -7.4 11.9 77 80 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.929 113.2 48.5 -61.0 -47.6 -14.3 -7.9 14.6 78 81 A D H X S+ 0 0 36 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.921 111.1 51.0 -60.4 -44.0 -11.5 -6.5 12.5 79 82 A A H X S+ 0 0 59 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.928 112.9 44.6 -61.3 -44.0 -13.6 -3.5 11.5 80 83 A A H < S+ 0 0 5 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.935 117.5 45.4 -65.4 -44.3 -14.4 -2.7 15.1 81 84 A W H >< S+ 0 0 28 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.919 111.4 50.9 -64.2 -43.1 -10.8 -3.3 16.2 82 85 A N H >< S+ 0 0 21 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.699 92.8 77.1 -72.7 -17.5 -9.3 -1.3 13.3 83 86 A S T 3< S+ 0 0 14 -4,-1.1 -1,-0.3 -3,-0.3 -61,-0.2 0.659 77.4 73.6 -68.9 -12.0 -11.6 1.6 14.2 84 87 A F T < S+ 0 0 47 -3,-1.6 -66,-2.4 -4,-0.3 2,-0.4 0.833 88.8 75.1 -61.2 -31.3 -9.3 2.3 17.1 85 88 A L B < +F 17 0C 7 -3,-1.8 -68,-0.2 -4,-0.2 -69,-0.0 -0.674 56.9 169.5 -87.0 133.8 -7.0 3.7 14.3 86 89 A V - 0 0 49 -70,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.764 47.4 -46.0-105.7 -78.8 -7.8 7.0 12.7 87 90 A D - 0 0 68 -71,-0.4 -71,-3.0 -73,-0.1 -1,-0.2 -0.995 26.3-132.0-157.7 149.2 -5.2 8.5 10.4 88 91 A I - 0 0 11 -2,-0.3 -73,-0.2 -73,-0.3 5,-0.1 -0.959 42.6-127.0 -99.9 113.4 -1.5 9.3 9.9 89 92 A P >> - 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.356 14.8-125.2 -59.8 141.0 -1.6 12.9 8.8 90 93 A T H 3> S+ 0 0 76 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.792 106.9 66.9 -66.2 -23.4 0.3 13.3 5.5 91 94 A Y H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.841 99.1 53.3 -65.6 -24.7 2.6 16.0 6.9 92 95 A K H <> S+ 0 0 2 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.868 107.2 50.5 -75.4 -34.1 4.0 13.3 9.3 93 96 A L H X S+ 0 0 1 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.928 110.1 50.2 -65.9 -43.9 4.8 11.0 6.3 94 97 A D H X S+ 0 0 59 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 110.3 51.4 -56.4 -41.7 6.5 14.0 4.6 95 98 A L H X S+ 0 0 25 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.929 107.8 50.2 -64.4 -45.6 8.5 14.5 7.8 96 99 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.932 111.2 49.6 -57.7 -47.9 9.6 10.9 8.0 97 100 A L H < S+ 0 0 40 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.916 113.5 46.7 -57.1 -43.6 10.8 11.0 4.4 98 101 A K H >< S+ 0 0 116 -4,-2.4 3,-1.8 1,-0.2 4,-0.3 0.880 104.6 59.7 -65.2 -39.7 12.7 14.2 5.1 99 102 A L H >X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.3 3,-1.7 0.805 90.1 72.4 -63.2 -28.4 14.3 12.9 8.3 100 103 A R T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.729 82.9 70.4 -59.9 -21.8 15.9 10.1 6.3 101 104 A E T <4 S+ 0 0 143 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.828 119.3 15.3 -60.7 -31.1 18.3 12.7 4.8 102 105 A K T <4 S+ 0 0 148 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.653 125.0 43.4-116.6 -26.5 20.0 13.0 8.1 103 106 A Y S < S- 0 0 53 -4,-2.6 2,-0.7 -98,-0.0 -98,-0.2 -0.935 72.9-118.6-130.0 148.7 19.0 10.1 10.3 104 107 A V E -a 5 0A 56 -100,-2.6 -98,-2.6 -2,-0.3 2,-0.5 -0.795 42.8-149.1 -80.2 119.4 18.5 6.4 10.1 105 108 A V E +a 6 0A 0 -2,-0.7 31,-3.0 -100,-0.2 32,-0.5 -0.844 20.8 175.8-104.2 124.6 14.8 6.2 10.9 106 109 A Y E -ac 7 137A 16 -100,-3.0 -98,-2.8 -2,-0.5 2,-0.4 -0.875 23.5-135.4-120.5 154.2 13.3 3.1 12.7 107 110 A L E -ac 8 138A 0 30,-1.8 32,-3.1 -2,-0.3 2,-0.4 -0.904 17.4-176.5-104.0 137.4 9.8 2.4 14.0 108 111 A L E + c 0 139A 0 -100,-2.5 2,-0.4 -2,-0.4 -98,-0.2 -0.917 21.0 164.3-133.9 109.1 9.4 0.8 17.4 109 112 A S E - c 0 140A 1 30,-2.5 32,-2.6 -2,-0.4 2,-0.8 -0.970 43.1-140.2-133.2 134.4 5.8 0.1 18.2 110 113 A N + 0 0 38 -2,-0.4 2,-0.3 30,-0.2 -99,-0.2 -0.863 61.3 122.9 -83.6 116.3 3.6 -1.9 20.5 111 114 A T - 0 0 10 -2,-0.8 31,-0.4 -60,-0.5 2,-0.3 -0.848 51.2-116.9-158.5-171.4 1.0 -3.1 18.1 112 115 A N > - 0 0 10 -2,-0.3 4,-2.9 29,-0.1 5,-0.2 -0.917 31.1-101.2-141.2 164.0 -0.6 -6.2 16.7 113 116 A D H > S+ 0 0 41 -63,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.871 117.2 49.7 -57.0 -37.7 -1.0 -8.0 13.4 114 117 A I H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.963 115.7 42.4 -70.8 -48.3 -4.5 -6.8 12.6 115 118 A H H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 113.6 53.0 -62.6 -41.6 -3.7 -3.1 13.3 116 119 A W H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.934 107.5 50.0 -64.1 -44.7 -0.4 -3.4 11.4 117 120 A K H X S+ 0 0 131 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.913 110.9 52.6 -54.3 -44.3 -2.0 -4.9 8.3 118 121 A W H X S+ 0 0 66 -4,-1.9 4,-3.0 -5,-0.2 5,-0.4 0.932 110.2 44.5 -60.6 -47.8 -4.5 -2.0 8.5 119 122 A V H X>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 4,-2.0 0.880 111.9 53.4 -70.2 -32.7 -1.8 0.8 8.7 120 123 A C H <5S+ 0 0 34 -4,-2.4 11,-0.3 -5,-0.2 -1,-0.2 0.818 119.3 35.2 -69.2 -27.3 0.3 -0.8 5.9 121 124 A K H <5S+ 0 0 153 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.852 134.1 20.5 -88.7 -39.8 -2.8 -0.9 3.7 122 125 A N H <5S+ 0 0 78 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.543 127.9 29.9-115.6 -14.7 -4.6 2.3 4.6 123 126 A A T <5S+ 0 0 11 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.750 113.5 48.0-118.7 -41.0 -2.2 4.8 6.4 124 127 A F S -G 129 0D 34 3,-1.8 3,-3.0 -2,-0.2 -3,-0.0 -0.938 60.5 -27.9-164.1 128.2 1.0 8.0 0.2 127 130 A R T 3 S- 0 0 188 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.372 127.8 -30.0 55.2-128.0 2.1 9.4 -3.1 128 131 A T T 3 S+ 0 0 131 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.220 119.1 105.3-101.9 16.5 4.4 6.7 -4.6 129 132 A F B < -G 126 0D 59 -3,-3.0 -3,-1.8 -5,-0.1 2,-0.3 -0.634 43.8-175.9-104.1 151.4 5.5 5.5 -1.1 130 133 A K >> - 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