==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-08 3DKR . COMPND 2 MOLECULE: ESTERASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS RHAMNOSUS; . AUTHOR M.D.BENNETT,M.-L.DELABRE,R.HOLLAND,G.E.NORRIS . 241 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 0 0.0 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 0 1 1 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 F 0 0 132 0, 0.0 2,-0.7 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 141.6 -1.1 11.2 -4.5 2 4 A R - 0 0 202 51,-0.1 50,-0.0 52,-0.0 51,-0.0 -0.861 360.0-142.2-100.7 116.0 -4.2 9.9 -2.8 3 5 A K - 0 0 57 -2,-0.7 50,-0.1 1,-0.1 2,-0.1 -0.552 18.5-127.8 -70.7 123.8 -4.9 6.2 -3.3 4 6 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.480 27.2-148.2 -66.4 146.5 -8.6 5.4 -3.8 5 7 A Q - 0 0 125 -2,-0.1 47,-0.0 20,-0.0 40,-0.0 -0.868 20.1-103.4-111.7 152.3 -9.7 2.7 -1.4 6 8 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 41,-0.0 -0.415 49.9-164.4 -61.2 153.4 -12.4 0.1 -1.8 7 9 A F E -A 45 0A 40 38,-1.7 38,-2.6 2,-0.0 2,-0.4 -0.977 16.6-160.4-147.5 160.4 -15.4 1.2 0.2 8 10 A E E -A 44 0A 54 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.998 6.0-159.6-145.6 133.9 -18.7 -0.1 1.6 9 11 A Y E -A 43 0A 35 34,-2.7 34,-2.2 -2,-0.4 2,-0.2 -0.963 26.4-126.8-111.0 132.0 -22.0 1.3 2.8 10 12 A E + 0 0 124 -2,-0.5 2,-0.2 32,-0.2 30,-0.1 -0.480 34.4 169.1 -75.4 143.2 -24.2 -0.8 5.1 11 13 A G - 0 0 25 -2,-0.2 30,-0.2 1,-0.2 4,-0.1 -0.434 30.7-125.3-127.8-152.6 -27.8 -1.4 4.1 12 14 A T S S- 0 0 115 28,-0.6 72,-0.3 2,-0.4 -1,-0.2 0.541 85.9 -0.5-125.8 -79.3 -30.7 -3.6 5.3 13 15 A D S S+ 0 0 83 27,-0.2 72,-1.9 1,-0.2 71,-0.8 0.833 122.4 41.8 -90.3 -36.1 -32.4 -5.8 2.7 14 16 A T E -b 85 0A 5 26,-0.3 28,-2.8 70,-0.2 -2,-0.4 -0.948 58.4-171.9-125.9 135.7 -30.6 -5.1 -0.6 15 17 A G E -bc 86 42A 0 70,-2.5 72,-2.0 -2,-0.4 2,-0.4 -0.908 8.7-152.2-123.0 154.2 -27.0 -4.7 -1.5 16 18 A V E -bc 87 43A 0 26,-1.7 28,-2.4 -2,-0.3 2,-0.5 -0.990 4.5-151.3-131.6 129.6 -25.3 -3.6 -4.7 17 19 A V E -bc 88 44A 0 70,-2.8 72,-2.7 -2,-0.4 2,-0.5 -0.876 13.7-163.3 -97.0 128.6 -21.9 -4.4 -6.1 18 20 A L E -b 89 0A 0 26,-2.4 2,-0.5 -2,-0.5 72,-0.2 -0.973 1.8-160.1-118.4 120.7 -20.4 -1.7 -8.4 19 21 A L E -b 90 0A 0 70,-2.5 72,-1.9 -2,-0.5 75,-0.2 -0.894 17.7-136.1-110.0 122.2 -17.5 -2.7 -10.6 20 22 A H - 0 0 0 -2,-0.5 74,-1.5 26,-0.4 2,-0.1 0.125 18.7 -85.6 -81.0-175.1 -15.3 0.1 -11.9 21 23 A A > - 0 0 10 4,-0.4 3,-1.8 72,-0.2 2,-0.2 -0.451 45.8 -89.6 -88.1 158.6 -13.7 1.1 -15.2 22 24 A Y T 3 S+ 0 0 12 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.535 121.8 10.5 -65.2 131.5 -10.4 0.2 -16.9 23 25 A T T 3 S+ 0 0 33 -2,-0.2 -1,-0.3 1,-0.2 29,-0.2 0.301 119.2 102.6 68.5 -1.8 -7.8 2.8 -15.6 24 26 A G < - 0 0 9 -3,-1.8 28,-0.5 27,-0.1 -1,-0.2 0.147 54.1-161.7 -86.8-151.4 -10.6 3.8 -13.2 25 27 A S > - 0 0 12 26,-0.1 3,-2.1 -3,-0.1 -4,-0.4 -0.941 50.4 -63.0-175.9 177.1 -11.1 3.1 -9.5 26 28 A P G > S+ 0 0 1 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.790 121.8 75.6 -52.1 -25.1 -13.8 3.2 -6.8 27 29 A N G > S+ 0 0 84 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.803 80.5 70.2 -56.7 -27.9 -14.0 7.0 -7.5 28 30 A D G < S+ 0 0 25 -3,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.754 105.5 40.4 -55.8 -25.6 -15.9 6.1 -10.7 29 31 A M G <> S+ 0 0 0 -3,-2.3 4,-3.2 -4,-0.3 5,-0.3 0.296 80.3 106.0-112.6 6.4 -18.7 5.0 -8.5 30 32 A N H <> S+ 0 0 57 -3,-1.4 4,-2.1 -4,-0.3 5,-0.2 0.934 86.7 41.6 -55.6 -50.6 -18.8 7.7 -5.7 31 33 A F H > S+ 0 0 94 -4,-0.4 4,-2.5 189,-0.2 -1,-0.2 0.932 118.3 46.0 -64.2 -45.7 -21.9 9.5 -7.0 32 34 A M H > S+ 0 0 0 188,-0.3 4,-2.8 -4,-0.2 5,-0.2 0.946 111.8 51.2 -62.1 -49.4 -23.8 6.3 -7.8 33 35 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.902 112.3 46.8 -55.2 -43.6 -22.9 4.7 -4.5 34 36 A R H X S+ 0 0 126 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.897 109.8 52.7 -69.6 -39.8 -24.1 7.7 -2.6 35 37 A A H X S+ 0 0 3 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.929 111.5 47.5 -58.9 -43.3 -27.4 7.9 -4.6 36 38 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.6 0.927 109.8 53.0 -65.4 -40.5 -28.0 4.3 -3.8 37 39 A Q H ><5S+ 0 0 70 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.903 103.9 55.7 -59.6 -42.4 -27.2 5.0 -0.1 38 40 A R H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.7 50.2 -63.1 -26.0 -29.8 7.8 -0.0 39 41 A S T <<5S- 0 0 72 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.281 126.7-102.4 -95.8 9.7 -32.4 5.3 -1.2 40 42 A G T < 5S+ 0 0 41 -3,-2.0 -28,-0.6 1,-0.3 -26,-0.3 0.604 72.7 141.3 87.3 15.9 -31.3 2.9 1.5 41 43 A Y < - 0 0 14 -5,-2.5 -1,-0.3 -30,-0.2 2,-0.2 -0.666 50.6-125.8 -88.5 145.2 -29.2 0.4 -0.4 42 44 A G E - c 0 15A 0 -28,-2.8 -26,-1.7 -2,-0.3 2,-0.3 -0.597 33.1-163.5 -76.4 151.2 -26.0 -1.3 0.8 43 45 A V E -Ac 9 16A 0 -34,-2.2 -34,-2.7 -28,-0.2 2,-0.4 -0.997 16.9-170.3-143.9 140.6 -23.2 -0.7 -1.6 44 46 A Y E -Ac 8 17A 52 -28,-2.4 -26,-2.4 -2,-0.3 -36,-0.2 -0.989 2.9-177.9-136.4 125.9 -19.7 -2.3 -2.1 45 47 A V E -A 7 0A 0 -38,-2.6 -38,-1.7 -2,-0.4 -26,-0.1 -0.889 13.2-165.3-126.7 91.8 -17.1 -0.9 -4.5 46 48 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 -26,-0.4 -0.293 19.2-120.2 -72.8 167.8 -14.0 -3.0 -4.7 47 49 A L - 0 0 49 -22,-0.1 2,-0.2 -28,-0.1 3,-0.1 -0.934 24.8-129.6-108.4 127.5 -10.6 -1.9 -6.2 48 50 A F > - 0 0 1 -2,-0.5 3,-2.0 1,-0.1 20,-0.1 -0.522 36.3 -92.4 -77.3 141.3 -9.3 -3.9 -9.1 49 51 A S T 3 S+ 0 0 36 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.167 110.5 19.2 -50.4 139.7 -5.7 -5.1 -8.9 50 52 A G T 3 S+ 0 0 13 1,-0.3 3,-0.4 12,-0.2 -1,-0.2 0.198 105.0 103.1 87.0 -18.2 -3.1 -2.7 -10.4 51 53 A H < + 0 0 3 -3,-2.0 -1,-0.3 1,-0.2 -26,-0.1 -0.489 62.0 39.4 -90.8 166.3 -5.5 0.2 -10.3 52 54 A G S S+ 0 0 8 -28,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.733 87.8 115.5 71.6 22.3 -5.6 3.1 -7.8 53 55 A T S S- 0 0 42 -3,-0.4 -1,-0.2 2,-0.1 6,-0.1 -0.762 77.3-113.5-117.2 172.3 -1.8 3.6 -7.6 54 56 A V S S+ 0 0 73 -2,-0.3 86,-0.1 1,-0.1 -1,-0.0 0.618 100.9 73.7 -74.2 -12.5 0.7 6.3 -8.5 55 57 A E > - 0 0 59 1,-0.1 3,-2.3 -5,-0.1 4,-0.4 -0.859 62.9-164.5-112.7 100.4 2.2 4.0 -11.2 56 58 A P T >> S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.782 88.4 67.3 -54.0 -28.9 0.0 3.6 -14.4 57 59 A L H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.745 83.5 74.4 -62.6 -23.9 2.2 0.5 -15.4 58 60 A D H <> S+ 0 0 31 -3,-2.3 4,-2.5 1,-0.2 5,-0.4 0.828 90.1 57.6 -57.5 -32.8 0.8 -1.3 -12.3 59 61 A I H <> S+ 0 0 2 -3,-1.3 4,-0.6 -4,-0.4 -1,-0.2 0.917 113.5 39.2 -60.5 -42.0 -2.5 -1.7 -14.3 60 62 A L H < S+ 0 0 13 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.747 127.1 31.4 -82.2 -28.8 -0.6 -3.5 -17.0 61 63 A T H < S+ 0 0 65 -4,-2.1 -3,-0.2 -11,-0.1 -2,-0.2 0.650 125.8 35.7-107.0 -19.5 1.8 -5.5 -14.9 62 64 A K H < S+ 0 0 127 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.398 111.7 55.9-117.8 -1.0 -0.1 -6.3 -11.6 63 65 A G < + 0 0 4 -4,-0.6 -13,-0.1 -5,-0.4 3,-0.0 -0.926 52.4 161.6-127.7 156.4 -3.7 -6.7 -12.9 64 66 A N > - 0 0 57 -2,-0.3 4,-2.7 95,-0.0 5,-0.3 -0.952 52.1 -95.1-161.5 164.8 -5.3 -9.0 -15.5 65 67 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.808 121.4 54.0 -56.7 -33.1 -8.8 -10.2 -16.4 66 68 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 111.7 44.3 -68.0 -43.7 -8.4 -13.4 -14.4 67 69 A I H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 114.6 49.5 -61.2 -46.5 -7.4 -11.5 -11.3 68 70 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.849 109.2 52.5 -66.7 -33.7 -10.2 -9.0 -11.8 69 71 A W H X S+ 0 0 44 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.938 109.4 48.4 -65.8 -46.0 -12.7 -11.8 -12.3 70 72 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 112.6 49.9 -57.9 -39.8 -11.7 -13.4 -9.0 71 73 A E H X S+ 0 0 50 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 111.3 47.8 -67.2 -40.0 -12.0 -10.0 -7.3 72 74 A S H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 112.0 49.8 -66.2 -43.3 -15.5 -9.4 -8.8 73 75 A S H X S+ 0 0 28 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.888 110.7 49.7 -62.0 -43.5 -16.6 -12.9 -7.8 74 76 A A H X S+ 0 0 63 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.877 109.0 52.9 -62.2 -38.0 -15.3 -12.3 -4.2 75 77 A A H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.907 108.7 49.3 -66.4 -43.2 -17.2 -9.0 -4.1 76 78 A V H >X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 0.954 111.4 49.2 -59.3 -48.6 -20.4 -10.7 -5.1 77 79 A A H 3X S+ 0 0 53 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.885 105.5 58.2 -60.3 -38.4 -20.0 -13.4 -2.4 78 80 A H H 3< S+ 0 0 70 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.888 114.4 37.9 -54.4 -40.5 -19.2 -10.8 0.2 79 81 A M H XX S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.5 3,-1.3 0.863 110.4 56.3 -87.8 -38.5 -22.6 -9.2 -0.5 80 82 A T H 3< S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.668 102.0 60.8 -69.3 -15.2 -24.7 -12.3 -1.0 81 83 A A T 3< S+ 0 0 90 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.754 117.1 29.3 -72.2 -23.5 -23.6 -13.5 2.5 82 84 A K T <4 S+ 0 0 91 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.785 109.4 60.2-107.8 -41.3 -25.2 -10.4 4.0 83 85 A Y < - 0 0 19 -4,-2.3 -69,-0.2 1,-0.1 -70,-0.1 -0.752 65.4-135.3-109.3 145.9 -28.2 -9.2 2.0 84 86 A A S S+ 0 0 92 -71,-0.8 2,-0.4 -72,-0.3 -70,-0.2 0.855 98.7 24.4 -60.2 -39.7 -31.5 -10.8 1.0 85 87 A K E -b 14 0A 58 -72,-1.9 -70,-2.5 -6,-0.1 2,-0.4 -0.992 70.0-168.5-131.4 140.7 -31.1 -9.4 -2.5 86 88 A V E -b 15 0A 1 -2,-0.4 23,-2.0 21,-0.3 24,-0.9 -0.996 2.1-169.0-132.3 135.6 -28.0 -8.4 -4.4 87 89 A F E -bd 16 110A 1 -72,-2.0 -70,-2.8 -2,-0.4 2,-0.4 -0.891 8.2-156.9-116.0 149.3 -27.5 -6.5 -7.7 88 90 A V E +bd 17 111A 0 22,-1.3 24,-2.1 -2,-0.3 2,-0.3 -0.990 17.7 165.0-133.9 126.1 -24.2 -6.2 -9.6 89 91 A F E +bd 18 112A 0 -72,-2.7 -70,-2.5 -2,-0.4 2,-0.3 -0.936 5.3 174.5-134.5 157.9 -23.4 -3.5 -12.1 90 92 A G E -bd 19 113A 0 22,-1.1 24,-3.0 -2,-0.3 25,-0.5 -0.971 30.5-111.1-155.5 168.8 -20.3 -2.2 -13.8 91 93 A L S > S- 0 0 0 -72,-1.9 4,-2.3 -2,-0.3 24,-0.4 0.229 72.9 -59.3 -79.6-153.9 -18.7 0.2 -16.4 92 94 A S H > S+ 0 0 6 2,-0.2 4,-1.0 22,-0.2 26,-0.4 0.987 141.1 28.8 -62.3 -53.1 -17.2 -1.3 -19.6 93 95 A L H >> S+ 0 0 2 2,-0.2 3,-1.2 1,-0.2 4,-1.2 0.981 125.9 45.3 -67.5 -57.5 -14.6 -3.4 -17.8 94 96 A G H 3> S+ 0 0 0 -74,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.833 108.3 61.2 -54.3 -34.6 -16.6 -4.0 -14.6 95 97 A G H 3X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.772 95.1 59.2 -67.2 -28.9 -19.6 -4.8 -16.8 96 98 A I H - 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0 0 46 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.657 51.8-104.4 -95.8 153.1 7.1 11.2 -12.8 143 145 A S - 0 0 98 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.306 47.3 -81.6 -73.2 160.4 8.7 10.8 -16.2 144 146 A D - 0 0 104 1,-0.1 -1,-0.1 -7,-0.0 3,-0.1 -0.329 37.3-173.5 -64.7 138.9 6.8 9.8 -19.4 145 147 A E > + 0 0 27 -15,-0.1 4,-2.7 1,-0.1 3,-0.5 0.197 42.8 122.8-121.2 14.5 6.1 6.1 -19.8 146 148 A S H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.823 73.9 55.0 -50.6 -37.4 4.6 5.9 -23.3 147 149 A T H > S+ 0 0 116 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.932 111.8 40.9 -67.1 -46.4 7.3 3.5 -24.5 148 150 A Q H > S+ 0 0 103 -3,-0.5 4,-1.4 2,-0.2 3,-0.3 0.888 111.9 58.6 -66.8 -37.4 6.6 0.9 -21.8 149 151 A I H >X S+ 0 0 2 -4,-2.7 4,-3.5 1,-0.2 3,-0.8 0.951 105.1 49.1 -56.0 -48.4 2.9 1.5 -22.1 150 152 A L H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 107.3 57.4 -63.8 -26.0 3.0 0.5 -25.9 151 153 A A H 3< S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.806 123.3 20.2 -71.3 -33.3 5.0 -2.6 -24.9 152 154 A Y H S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 111.8 50.2 -56.6 -38.8 -1.9 -4.1 -26.7 155 157 A G H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 111.8 46.3 -68.3 -39.2 -1.4 -7.4 -24.9 156 158 A Q H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.910 111.6 50.9 -71.6 -41.5 -3.6 -6.5 -22.0 157 159 A L H X S+ 0 0 10 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.909 109.9 52.0 -58.9 -40.3 -6.3 -5.1 -24.3 158 160 A A H X S+ 0 0 49 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.911 108.8 50.3 -60.0 -41.8 -6.1 -8.4 -26.2 159 161 A A H X S+ 0 0 35 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 112.5 46.2 -63.9 -43.1 -6.5 -10.3 -22.9 160 162 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.950 112.1 50.6 -62.3 -50.3 -9.6 -8.2 -22.0 161 163 A D H X S+ 0 0 23 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.938 111.9 48.8 -49.5 -50.4 -11.0 -8.7 -25.5 162 164 A Q H X S+ 0 0 139 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.940 112.2 46.2 -61.0 -49.3 -10.5 -12.5 -25.2 163 165 A F H X S+ 0 0 26 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.913 113.0 52.3 -59.6 -42.5 -12.1 -12.8 -21.8 164 166 A A H X S+ 0 0 3 -4,-2.9 4,-2.7 -46,-0.2 -1,-0.2 0.848 102.0 57.8 -64.9 -36.8 -15.0 -10.6 -23.0 165 167 A T H X S+ 0 0 59 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.895 106.4 50.2 -63.3 -34.6 -15.6 -12.8 -26.1 166 168 A T H X S+ 0 0 73 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.938 110.2 49.2 -68.8 -43.8 -16.1 -15.8 -23.8 167 169 A V H >< S+ 0 0 7 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.930 110.4 51.8 -57.4 -42.1 -18.6 -13.8 -21.6 168 170 A A H >< S+ 0 0 40 -4,-2.7 3,-1.5 1,-0.3 4,-0.2 0.902 105.1 55.0 -63.0 -40.1 -20.4 -12.8 -24.8 169 171 A A H 3< S+ 0 0 71 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.694 109.2 49.5 -65.9 -20.5 -20.7 -16.4 -26.0 170 172 A D T X< S+ 0 0 53 -4,-1.0 3,-2.4 -3,-0.9 4,-0.3 0.253 73.3 108.2-101.1 8.3 -22.4 -17.3 -22.7 171 173 A L G X + 0 0 11 -3,-1.5 3,-1.8 1,-0.3 32,-0.3 0.795 68.5 70.8 -60.4 -25.5 -25.0 -14.4 -22.6 172 174 A N G 3 S+ 0 0 68 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.714 88.0 66.2 -58.1 -22.4 -27.6 -17.1 -23.4 173 175 A L G < S+ 0 0 75 -3,-2.4 2,-0.5 29,-0.0 -1,-0.3 0.663 75.6 105.1 -74.9 -16.3 -27.1 -18.3 -19.8 174 176 A V < + 0 0 0 -3,-1.8 29,-0.2 -4,-0.3 -71,-0.1 -0.540 31.8 161.0 -75.8 118.6 -28.5 -15.1 -18.3 175 177 A K + 0 0 111 -2,-0.5 30,-2.0 -73,-0.4 -1,-0.2 0.617 47.2 93.8-102.6 -20.7 -31.9 -15.5 -16.8 176 178 A Q S S- 0 0 32 28,-0.2 30,-0.3 -74,-0.2 -66,-0.2 -0.319 90.7 -87.5 -73.8 155.3 -32.0 -12.5 -14.5 177 179 A P - 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