==== 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 04-AUG-08 3E1G . COMPND 2 MOLECULE: ESTERASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS RHAMNOSUS; . AUTHOR M.D.BENNETT,M.-L.DELABRE,R.HOLLAND,G.E.NORRIS . 239 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 36.8 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 1 0 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 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 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 0 125 0, 0.0 2,-0.6 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 145.2 9.1 7.4 24.3 2 4 A R - 0 0 202 51,-0.1 50,-0.0 52,-0.0 51,-0.0 -0.916 360.0-136.9-118.5 117.1 6.1 8.6 26.1 3 5 A K - 0 0 62 -2,-0.6 2,-0.5 1,-0.1 50,-0.1 -0.517 26.8-129.2 -63.6 115.6 2.6 7.2 25.6 4 6 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.626 25.7-148.5 -61.8 129.7 0.2 10.1 25.4 5 7 A Q - 0 0 122 -2,-0.5 2,-0.1 1,-0.1 47,-0.0 -0.535 21.7 -98.4 -90.1 156.1 -2.7 9.6 27.8 6 8 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.486 49.9-164.4 -54.9 148.4 -6.3 10.8 27.4 7 9 A F E -A 45 0A 41 38,-1.6 38,-2.8 -2,-0.1 2,-0.3 -0.953 15.5-161.3-145.5 153.3 -6.7 14.0 29.4 8 10 A E E -A 44 0A 56 -2,-0.3 2,-0.4 36,-0.2 36,-0.2 -1.000 5.5-160.1-132.1 142.7 -9.5 16.2 30.8 9 11 A Y E -A 43 0A 35 34,-2.7 34,-2.0 -2,-0.3 2,-0.1 -0.972 26.3-126.3-116.6 132.3 -9.8 19.8 32.0 10 12 A E + 0 0 129 -2,-0.4 2,-0.2 32,-0.2 30,-0.1 -0.499 34.3 168.6 -74.2 138.9 -12.8 20.7 34.3 11 13 A G - 0 0 23 1,-0.2 30,-0.2 -2,-0.1 4,-0.1 -0.585 30.5-126.4-121.1-148.6 -15.0 23.6 33.3 12 14 A T S S+ 0 0 115 28,-0.7 72,-0.3 2,-0.3 -1,-0.2 0.628 84.8 0.6-128.8 -71.6 -18.4 24.9 34.5 13 15 A D S S+ 0 0 79 27,-0.2 72,-1.9 1,-0.2 71,-1.1 0.891 122.1 42.4 -96.5 -40.2 -21.2 25.4 31.9 14 16 A T E -b 85 0A 7 26,-0.3 28,-2.2 70,-0.2 -2,-0.3 -0.897 60.8-170.4-120.7 138.3 -19.8 24.3 28.6 15 17 A G E -bc 86 42A 0 70,-3.2 72,-2.2 -2,-0.4 2,-0.4 -0.908 7.8-150.7-128.6 151.7 -17.6 21.3 27.7 16 18 A V E -bc 87 43A 0 26,-1.7 28,-2.3 -2,-0.3 2,-0.5 -0.978 3.6-154.4-129.9 125.6 -15.7 20.3 24.5 17 19 A V E -bc 88 44A 0 70,-2.7 72,-2.7 -2,-0.4 2,-0.5 -0.908 14.2-165.4 -96.5 124.9 -14.8 16.9 23.1 18 20 A L E -b 89 0A 0 26,-2.4 2,-0.5 -2,-0.5 72,-0.2 -0.980 2.3-160.9-118.3 118.0 -11.7 16.9 20.9 19 21 A L E -b 90 0A 0 70,-1.9 72,-2.5 -2,-0.5 75,-0.2 -0.966 14.3-137.1-108.8 128.8 -11.0 13.9 18.7 20 22 A H - 0 0 0 -2,-0.5 74,-1.0 26,-0.4 2,-0.1 0.100 19.6 -92.3 -90.2 177.4 -7.6 13.3 17.3 21 23 A A > - 0 0 9 4,-0.3 3,-1.3 72,-0.2 2,-0.3 -0.407 45.1 -84.0 -89.5 163.9 -6.2 12.2 13.9 22 24 A Y T 3 S+ 0 0 19 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.549 121.5 11.2 -66.6 134.0 -5.3 8.8 12.4 23 25 A T T 3 S+ 0 0 32 -2,-0.3 -1,-0.3 1,-0.2 29,-0.1 0.304 119.0 101.7 62.2 7.4 -1.7 7.9 13.5 24 26 A G < - 0 0 12 -3,-1.3 28,-0.4 27,-0.1 -1,-0.2 0.010 55.2-159.3 -97.2-154.9 -2.1 10.9 15.9 25 27 A S > - 0 0 13 26,-0.1 3,-2.2 -3,-0.1 -4,-0.3 -0.920 47.8 -65.5-169.2-179.1 -2.8 11.1 19.6 26 28 A P G > S+ 0 0 1 0, 0.0 3,-2.6 0, 0.0 4,-0.1 0.813 121.7 74.0 -54.4 -24.6 -4.1 13.5 22.3 27 29 A N G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.794 80.6 72.0 -59.3 -31.2 -1.0 15.6 21.6 28 30 A D G < S+ 0 0 21 -3,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.818 105.0 39.1 -44.6 -35.5 -2.8 16.6 18.4 29 31 A M G <> S+ 0 0 0 -3,-2.6 4,-3.0 -4,-0.3 5,-0.3 0.162 80.9 108.9-109.2 8.4 -5.0 18.7 20.7 30 32 A N H <> S+ 0 0 61 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 0.945 87.2 37.1 -55.3 -52.2 -2.5 20.0 23.3 31 33 A F H > S+ 0 0 85 -4,-0.3 4,-2.5 189,-0.2 -1,-0.2 0.858 120.8 47.9 -64.6 -44.9 -2.6 23.7 22.2 32 34 A M H > S+ 0 0 0 2,-0.2 4,-2.6 -4,-0.2 5,-0.2 0.948 110.0 49.2 -64.7 -55.5 -6.3 23.6 21.4 33 35 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.907 114.9 46.5 -48.2 -47.0 -7.4 22.0 24.6 34 36 A R H X S+ 0 0 125 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.896 107.8 55.9 -69.8 -38.6 -5.3 24.6 26.5 35 37 A A H X S+ 0 0 2 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.931 110.7 46.2 -52.5 -43.6 -6.7 27.5 24.4 36 38 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.4 0.918 109.4 54.1 -72.3 -35.9 -10.2 26.3 25.5 37 39 A Q H ><5S+ 0 0 70 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.933 103.4 55.2 -61.6 -43.3 -9.1 26.0 29.1 38 40 A R H 3<5S+ 0 0 177 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.2 51.6 -61.0 -28.1 -7.8 29.7 29.1 39 41 A S T 3<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.427 125.0-102.0 -96.2 12.5 -11.4 30.6 27.9 40 42 A G T < 5S+ 0 0 41 -3,-2.0 -28,-0.7 -4,-0.4 2,-0.3 0.550 74.8 135.7 92.4 9.0 -13.1 28.7 30.7 41 43 A Y < - 0 0 32 -5,-2.1 -1,-0.3 -30,-0.2 -26,-0.2 -0.655 52.7-125.1 -86.6 147.3 -14.2 25.6 28.8 42 44 A G E - c 0 15A 0 -28,-2.2 -26,-1.7 -2,-0.3 2,-0.3 -0.555 31.1-164.9 -76.6 153.5 -14.0 22.1 29.9 43 45 A V E -Ac 9 16A 0 -34,-2.0 -34,-2.7 -28,-0.2 2,-0.4 -0.992 15.8-169.8-148.3 135.5 -12.2 19.7 27.5 44 46 A Y E -Ac 8 17A 50 -28,-2.3 -26,-2.4 -2,-0.3 -36,-0.2 -0.983 2.7-176.3-130.6 127.4 -11.9 16.0 27.1 45 47 A V E -A 7 0A 0 -38,-2.8 -38,-1.6 -2,-0.4 -26,-0.1 -0.878 12.9-164.6-124.0 97.7 -9.4 14.4 24.7 46 48 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 -26,-0.4 -0.314 18.7-121.2 -77.2 166.0 -9.7 10.6 24.5 47 49 A L - 0 0 51 -22,-0.1 2,-0.1 -28,-0.1 -22,-0.1 -0.930 23.8-132.4-105.9 126.3 -7.2 8.2 23.0 48 50 A F > - 0 0 1 -2,-0.5 3,-1.7 1,-0.1 20,-0.1 -0.498 35.7 -93.6 -77.4 143.2 -8.3 6.0 20.1 49 51 A S T 3 S+ 0 0 40 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.320 110.9 23.9 -56.9 143.3 -7.4 2.2 20.4 50 52 A G T 3 S+ 0 0 13 1,-0.3 3,-0.4 12,-0.1 9,-0.3 0.194 104.2 107.3 90.6 -18.4 -4.2 1.3 18.7 51 53 A H < + 0 0 4 -3,-1.7 -1,-0.3 1,-0.2 -26,-0.1 -0.502 58.4 35.0 -95.7 153.5 -2.9 4.8 18.9 52 54 A G S S+ 0 0 7 -28,-0.4 -1,-0.2 1,-0.3 2,-0.2 0.614 84.9 110.2 87.3 19.5 -0.2 6.3 21.1 53 55 A T S S- 0 0 44 -3,-0.4 -1,-0.3 2,-0.1 -51,-0.1 -0.510 78.1-110.6-112.2-176.4 2.3 3.4 21.3 54 56 A V S S+ 0 0 56 -2,-0.2 86,-0.2 1,-0.1 85,-0.1 0.683 99.7 79.1 -92.6 -0.2 5.8 3.0 19.9 55 57 A E > - 0 0 65 1,-0.1 3,-2.2 -4,-0.0 4,-0.4 -0.828 62.5-163.7-120.8 105.7 4.5 0.4 17.6 56 58 A P T >> S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 4,-0.9 0.687 86.3 68.8 -63.8 -22.9 2.6 1.6 14.4 57 59 A L H 3> S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.614 83.4 72.8 -66.2 -26.7 1.1 -1.9 13.8 58 60 A D H <> S+ 0 0 17 -3,-2.2 4,-2.6 2,-0.2 5,-0.5 0.871 93.6 54.3 -58.1 -36.4 -1.0 -1.4 16.9 59 61 A I H <> S+ 0 0 1 -3,-0.9 4,-1.1 -4,-0.4 -2,-0.2 0.966 114.3 40.3 -60.2 -44.1 -3.1 1.1 14.9 60 62 A L H < S+ 0 0 12 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.693 128.0 29.9 -77.5 -28.1 -3.7 -1.5 12.1 61 63 A T H < S+ 0 0 65 -4,-1.8 -3,-0.2 -11,-0.1 -1,-0.2 0.663 126.9 36.8-110.6 -23.0 -4.2 -4.5 14.4 62 64 A K H < S+ 0 0 125 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.522 112.2 56.1-110.5 -8.2 -5.7 -3.1 17.6 63 65 A G < + 0 0 5 -4,-1.1 -13,-0.1 -5,-0.5 -15,-0.0 -0.880 50.9 162.4-124.0 153.2 -7.9 -0.3 16.2 64 66 A N > - 0 0 62 -2,-0.3 4,-2.6 -15,-0.1 3,-0.3 -0.965 50.1 -98.3-158.2 168.5 -10.7 0.1 13.7 65 67 A P H > S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.766 119.9 53.0 -61.4 -28.0 -13.4 2.6 12.8 66 68 A D H > S+ 0 0 115 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.884 111.0 45.5 -75.2 -41.5 -16.1 0.8 14.7 67 69 A I H > S+ 0 0 61 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.938 114.2 49.4 -61.0 -45.2 -14.0 0.7 17.9 68 70 A W H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.798 108.3 53.5 -69.2 -30.4 -13.1 4.4 17.4 69 71 A W H X S+ 0 0 45 -4,-1.5 4,-2.7 -5,-0.3 5,-0.2 0.949 109.0 49.2 -70.2 -40.6 -16.7 5.3 16.8 70 72 A A H X S+ 0 0 53 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.860 112.7 47.8 -57.3 -45.4 -17.7 3.6 20.2 71 73 A E H X S+ 0 0 48 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.841 111.4 50.3 -70.0 -34.5 -14.9 5.5 21.9 72 74 A S H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.955 112.1 46.8 -65.6 -48.7 -16.0 8.8 20.4 73 75 A S H X S+ 0 0 36 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.925 110.3 52.6 -67.9 -32.8 -19.6 8.2 21.4 74 76 A A H X S+ 0 0 61 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.912 109.5 51.7 -63.3 -31.7 -18.4 7.2 25.0 75 77 A A H X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.945 109.3 47.8 -78.1 -38.0 -16.5 10.5 25.1 76 78 A V H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.936 111.4 50.6 -61.4 -48.5 -19.4 12.5 24.1 77 79 A A H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.923 106.2 56.9 -56.9 -45.1 -21.7 10.8 26.7 78 80 A H H < S+ 0 0 72 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.919 114.6 38.2 -47.9 -43.5 -19.0 11.5 29.4 79 81 A M H >X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-1.2 0.865 109.9 56.6 -88.2 -30.2 -19.3 15.2 28.6 80 82 A T H 3< S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 102.9 57.6 -76.8 -20.9 -23.0 15.5 28.0 81 83 A A T 3< S+ 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.683 116.4 36.4 -71.0 -17.6 -23.7 14.0 31.5 82 84 A K T <4 S+ 0 0 85 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.703 108.2 53.6-107.3 -45.9 -21.6 16.8 33.0 83 85 A Y < - 0 0 17 -4,-1.9 -69,-0.2 1,-0.1 -70,-0.2 -0.859 65.7-133.6-112.7 146.3 -22.0 20.1 31.2 84 86 A A S S+ 0 0 83 -71,-1.1 2,-0.4 -2,-0.3 -70,-0.2 0.821 99.5 25.8 -59.3 -42.7 -25.0 22.2 30.2 85 87 A K E S-b 14 0A 66 -72,-1.9 -70,-3.2 -6,-0.1 2,-0.4 -0.997 70.5-169.0-128.4 140.7 -23.6 22.6 26.7 86 88 A V E -b 15 0A 2 21,-0.4 23,-1.9 -2,-0.4 24,-1.0 -0.995 2.7-167.3-134.3 129.0 -21.2 20.3 24.8 87 89 A F E -bd 16 110A 3 -72,-2.2 -70,-2.7 -2,-0.4 2,-0.4 -0.869 8.2-155.3-108.7 152.4 -19.3 20.9 21.5 88 90 A V E +bd 17 111A 0 22,-1.5 24,-2.0 -2,-0.3 2,-0.3 -0.976 16.7 170.0-134.3 119.5 -17.6 18.2 19.6 89 91 A F E -bd 18 112A 0 -72,-2.7 -70,-1.9 -2,-0.4 2,-0.3 -0.941 8.4-169.2-127.2 151.0 -14.7 18.8 17.2 90 92 A G E -bd 19 113A 0 22,-1.4 24,-3.0 -2,-0.3 2,-0.5 -0.995 19.2-135.1-146.0 142.2 -12.3 16.4 15.4 91 93 A L E > S- d 0 114A 0 -72,-2.5 3,-2.1 -2,-0.3 24,-0.2 -0.879 71.1 -52.7 -91.6 126.5 -9.0 16.6 13.3 92 94 A S T >> S+ 0 0 15 22,-2.6 3,-1.2 -2,-0.5 4,-1.1 -0.149 140.4 20.6 48.2-109.8 -9.1 14.4 10.2 93 95 A L H >> S+ 0 0 5 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.912 128.3 52.9 -51.1 -47.8 -10.1 10.9 11.4 94 96 A G H <> S+ 0 0 0 -3,-2.1 4,-2.3 -74,-1.0 -1,-0.3 0.776 100.4 63.1 -59.2 -31.9 -11.7 12.4 14.5 95 97 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 19,-0.2 -1,-0.2 0.850 98.2 54.4 -62.5 -42.2 -13.7 14.9 12.3 96 98 A I H + 0 0 92 64,-3.4 4,-1.8 -2,-0.2 65,-0.1 -0.124 57.8 123.4-125.4 45.3 -1.8 10.9 0.7 125 127 A L H > + 0 0 32 63,-0.3 4,-3.2 2,-0.2 5,-0.2 0.755 67.6 60.3 -83.7 -24.8 -2.4 8.7 3.8 126 128 A V H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.999 112.0 37.5 -67.1 -54.9 -0.3 5.8 2.5 127 129 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.892 118.1 53.5 -58.4 -42.6 2.9 7.8 2.2 128 130 A G H X S+ 0 0 20 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.960 109.2 46.5 -56.2 -53.5 1.9 9.6 5.4 129 131 A F H X S+ 0 0 3 -4,-3.2 4,-3.2 1,-0.2 -1,-0.2 0.912 114.1 48.0 -54.8 -47.8 1.4 6.4 7.4 130 132 A L H X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.904 111.5 49.6 -66.2 -41.2 4.7 4.9 6.2 131 133 A K H X S+ 0 0 73 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.875 111.9 48.7 -60.2 -48.8 6.6 8.0 7.0 132 134 A Y H X S+ 0 0 54 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.966 113.3 47.0 -50.5 -54.4 5.1 8.1 10.4 133 135 A A H X S+ 0 0 3 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.895 110.8 53.7 -58.6 -39.5 6.0 4.4 10.9 134 136 A E H X S+ 0 0 125 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.905 110.8 44.4 -62.3 -47.3 9.5 5.1 9.6 135 137 A Y H X S+ 0 0 63 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.851 113.6 50.9 -62.2 -42.0 10.0 7.9 12.2 136 138 A M H X S+ 0 0 20 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.957 112.0 46.6 -66.7 -42.6 8.6 5.9 15.0 137 139 A N H X>S+ 0 0 9 -4,-2.8 5,-1.9 2,-0.2 4,-1.4 0.907 110.0 52.2 -66.5 -41.4 10.8 2.9 14.2 138 140 A R H ><5S+ 0 0 83 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.957 110.4 51.5 -56.8 -38.9 13.9 5.1 13.9 139 141 A L H 3<5S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.769 117.2 36.4 -67.6 -37.3 13.0 6.5 17.3 140 142 A A H 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.473 106.2-120.8 -98.8 -6.3 12.6 3.0 19.0 141 143 A G T <<5 + 0 0 72 -4,-1.4 2,-0.4 -3,-0.7 -3,-0.2 0.944 62.6 147.5 61.9 40.6 15.5 1.4 17.1 142 144 A K < - 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0 0 44 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.691 30.1-167.5 -87.8 99.9 -7.9 16.8 -0.5 191 193 A G G > S+ 0 0 9 -2,-1.0 3,-2.1 -5,-0.3 4,-0.4 0.722 79.2 74.2 -58.4 -35.3 -8.9 20.2 0.9 192 194 A R G > S+ 0 0 100 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.790 85.2 65.2 -36.8 -49.4 -11.1 20.9 -2.1 193 195 A L G <> S+ 0 0 27 -3,-1.9 4,-1.5 1,-0.3 -1,-0.3 0.596 81.8 77.4 -66.1 -10.9 -13.6 18.4 -0.8 194 196 A A H <> S+ 0 0 0 -3,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.836 89.6 57.7 -65.2 -28.2 -14.3 20.7 2.3 195 197 A Y H <> S+ 0 0 89 -3,-1.5 4,-1.2 -4,-0.4 -1,-0.2 0.817 106.1 48.5 -71.7 -29.9 -16.4 22.9 0.0 196 198 A Q H > S+ 0 0 107 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 0.790 107.2 53.9 -80.0 -32.7 -18.5 19.9 -0.8 197 199 A L H X S+ 0 0 0 -4,-1.5 4,-1.0 1,-0.2 3,-0.2 0.971 109.4 51.8 -58.6 -46.9 -18.8 19.1 3.0 198 200 A R H < S+ 0 0 90 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.846 111.5 45.3 -48.3 -48.9 -20.0 22.7 3.3 199 201 A D H < S+ 0 0 94 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.830 106.4 58.1 -80.5 -23.6 -22.6 22.2 0.5 200 202 A A H < S+ 0 0 34 -4,-2.0 2,-2.3 -3,-0.2 3,-0.3 0.702 83.5 84.7 -76.9 -17.5 -24.0 18.9 1.7 201 203 A L >< + 0 0 8 -4,-1.0 3,-0.9 -3,-0.5 -1,-0.2 -0.409 52.4 152.5 -86.6 62.0 -24.9 20.3 5.1 202 204 A I T 3 + 0 0 123 -2,-2.3 -1,-0.2 1,-0.2 -30,-0.1 0.785 69.0 40.5 -74.9 -19.1 -28.2 21.5 3.7 203 205 A N T 3 S+ 0 0 95 -32,-0.3 -1,-0.2 -3,-0.3 2,-0.1 0.312 82.8 121.0-109.8 0.6 -30.1 21.4 7.1 204 206 A A < - 0 0 16 -3,-0.9 -28,-0.2 1,-0.1 -29,-0.2 -0.467 68.7-127.0 -68.5 148.1 -27.4 22.8 9.5 205 207 A A S S- 0 0 74 -30,-1.8 2,-0.3 1,-0.3 -29,-0.1 0.937 88.2 -17.0 -67.5 -43.2 -28.4 25.9 11.4 206 208 A R - 0 0 59 -30,-0.2 -28,-2.2 -31,-0.1 2,-0.4 -0.975 56.7-141.9-147.1 162.9 -25.2 27.5 10.1 207 209 A V E -f 178 0A 45 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.924 13.0-162.3-120.5 114.4 -21.9 26.5 8.6 208 210 A D E -f 179 0A 53 -30,-2.7 -28,-3.0 -2,-0.4 2,-0.5 -0.781 17.7-168.8 -98.6 107.0 -18.9 28.5 9.7 209 211 A F E +f 180 0A 48 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.865 10.4 177.3-112.0 127.1 -16.2 27.9 7.1 210 212 A H E -f 181 0A 44 -30,-3.3 -28,-1.6 -2,-0.5 2,-0.4 -0.993 13.3-160.4-134.0 144.0 -12.5 28.9 7.4 211 213 A W E -f 182 0A 78 -2,-0.4 2,-0.8 -30,-0.2 -28,-0.2 -0.928 10.2-150.8-128.0 125.0 -9.6 28.3 5.2 212 214 A Y E > -f 183 0A 15 -30,-2.6 -28,-3.0 -2,-0.4 3,-1.2 -0.887 17.0-155.1-108.0 99.0 -6.1 28.5 6.6 213 215 A D T 3 S+ 0 0 123 -2,-0.8 -1,-0.2 1,-0.3 -30,-0.0 0.732 78.6 19.8 -57.6 -49.1 -4.1 29.6 3.5 214 216 A D T 3 S+ 0 0 95 -30,-0.1 2,-0.4 -29,-0.1 -1,-0.3 0.246 96.6 117.7-104.7 7.7 -0.5 28.5 4.0 215 217 A A < - 0 0 2 -3,-1.2 -30,-2.5 -33,-0.1 -3,-0.1 -0.642 55.8-136.0 -89.9 142.7 -1.0 25.8 6.6 216 218 A K - 0 0 57 -2,-0.4 -30,-0.2 -32,-0.2 -32,-0.1 -0.016 47.0 -75.1 -78.2-175.8 -0.3 22.2 6.3 217 219 A H S S+ 0 0 6 -32,-0.3 2,-2.4 1,-0.2 -34,-0.2 0.866 115.9 64.4 -57.3 -55.2 -2.7 19.5 7.5 218 220 A V >> + 0 0 47 1,-0.2 3,-2.3 2,-0.1 4,-2.1 -0.386 57.7 165.0 -79.4 75.7 -2.4 19.5 11.3 219 221 A I T 34 + 0 0 0 -2,-2.4 9,-0.3 1,-0.3 -1,-0.2 0.516 65.8 70.1 -75.4 -6.6 -3.7 23.0 11.8 220 222 A T T 34 S+ 0 0 0 -3,-0.1 -1,-0.3 1,-0.1 -189,-0.2 0.648 116.1 22.7 -78.3 -14.7 -4.2 22.3 15.5 221 223 A V T <4 S+ 0 0 62 -3,-2.3 -2,-0.2 -190,-0.1 -1,-0.1 0.683 111.6 71.7-123.2 -34.5 -0.5 22.3 16.0 222 224 A N S >< S- 0 0 41 -4,-2.1 3,-2.0 -6,-0.1 4,-0.3 0.233 105.4 -65.2 -86.9-164.4 1.2 24.2 13.1 223 225 A S T 3 S+ 0 0 96 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.754 128.6 60.8 -65.7 -16.4 1.3 27.9 12.3 224 226 A A T 3> S+ 0 0 10 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.565 78.4 93.5 -75.5 -15.0 -2.5 28.1 11.7 225 227 A H H <> S+ 0 0 27 -3,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.839 79.8 53.1 -68.4 -26.0 -3.3 27.0 15.3 226 228 A H H > S+ 0 0 112 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.970 114.2 42.6 -70.8 -42.0 -3.6 30.5 16.8 227 229 A A H > S+ 0 0 38 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.866 113.3 52.7 -66.9 -44.9 -6.1 31.5 14.2 228 230 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -9,-0.3 -1,-0.2 0.894 108.7 50.3 -57.0 -45.2 -7.9 28.2 14.4 229 231 A E H X S+ 0 0 10 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.940 111.1 48.5 -60.0 -45.5 -8.3 28.7 18.2 230 232 A E H X S+ 0 0 132 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.914 114.1 46.6 -58.3 -47.5 -9.7 32.2 17.8 231 233 A D H X S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.860 112.2 48.8 -65.5 -44.1 -12.1 31.0 15.2 232 234 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.934 114.5 46.3 -63.7 -37.7 -13.3 27.9 17.1 233 235 A I H X S+ 0 0 36 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.966 111.6 49.7 -76.2 -41.3 -13.8 30.0 20.3 234 236 A A H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.903 111.0 53.4 -58.5 -39.2 -15.6 32.8 18.4 235 237 A F H X S+ 0 0 9 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.874 110.5 44.9 -58.7 -48.0 -17.8 30.0 16.9 236 238 A M H < S+ 0 0 5 -4,-2.0 3,-0.4 -3,-0.3 -1,-0.2 0.839 111.6 52.3 -67.7 -40.2 -18.7 28.6 20.3 237 239 A Q H < S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.866 102.2 59.7 -62.7 -38.6 -19.4 32.1 21.8 238 240 A Q H < 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 360.0 360.0 -62.5 -19.7 -21.7 32.8 18.9 239 241 A E < 0 0 105 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.100 360.0 360.0-122.0 360.0 -23.7 29.8 20.1