==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-04 1UXO . COMPND 2 MOLECULE: YDEN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.K.JANDA,Y.DEVEDJIEV,D.R.COOPER,M.CHRUSZCZ,U.DEREWENDA, . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 1 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 157 0, 0.0 62,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 124.2 -7.4 13.6 4.1 2 3 A K - 0 0 80 62,-0.1 30,-0.6 60,-0.1 2,-0.3 -0.359 360.0-176.1 -61.3 146.3 -7.6 17.3 4.8 3 4 A Q E -ab 32 64A 28 60,-1.9 62,-2.4 28,-0.1 2,-0.5 -0.990 7.8-164.3-144.2 132.6 -6.7 18.6 8.2 4 5 A V E -ab 33 65A 0 28,-1.9 30,-2.3 -2,-0.3 2,-0.4 -0.979 4.2-161.9-120.7 129.9 -6.9 22.2 9.3 5 6 A Y E -ab 34 66A 15 60,-2.9 62,-2.8 -2,-0.5 2,-0.5 -0.928 5.0-156.0-108.0 139.6 -5.1 23.4 12.5 6 7 A I E -ab 35 67A 0 28,-2.3 30,-3.1 -2,-0.4 2,-0.5 -0.966 8.7-168.1-119.7 126.3 -6.1 26.6 14.1 7 8 A I E -ab 36 68A 0 60,-2.8 62,-2.5 -2,-0.5 65,-0.2 -0.958 6.7-151.1-125.4 124.6 -3.6 28.5 16.4 8 9 A H - 0 0 0 28,-0.8 2,-0.1 -2,-0.5 3,-0.1 -0.075 9.6-128.4 -86.2 179.9 -4.5 31.4 18.7 9 10 A G > - 0 0 2 1,-0.2 3,-0.8 62,-0.2 29,-0.2 -0.189 50.9 -28.6-110.7-159.6 -2.5 34.4 19.9 10 11 A Y T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 32,-0.2 -0.312 123.1 4.9 -58.0 133.2 -1.6 36.1 23.2 11 12 A R T 3 S+ 0 0 172 30,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.899 109.9 104.7 58.8 42.7 -4.0 35.8 26.1 12 13 A A < - 0 0 6 -3,-0.8 2,-0.2 26,-0.1 26,-0.2 -0.951 45.6-169.1-141.8 167.1 -6.3 33.5 24.2 13 14 A S > - 0 0 35 -2,-0.3 3,-2.1 -3,-0.1 -4,-0.1 -0.848 49.5 -77.5-144.3-176.7 -7.3 29.8 24.1 14 15 A S T 3 S+ 0 0 28 1,-0.3 21,-0.0 -2,-0.2 22,-0.0 0.632 123.8 57.7 -63.9 -13.7 -9.3 27.5 21.8 15 16 A T T 3 S+ 0 0 106 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.556 91.8 91.2 -93.9 -8.3 -12.6 28.8 23.1 16 17 A N S X S- 0 0 35 -3,-2.1 3,-1.4 4,-0.1 -4,-0.1 -0.362 82.8 -14.2 -88.1 162.6 -12.0 32.5 22.3 17 18 A H T 3 S- 0 0 22 1,-0.2 4,-0.3 2,-0.1 148,-0.1 -0.125 116.9 -26.7 58.8-135.0 -12.8 34.6 19.2 18 19 A W T 3> S+ 0 0 1 146,-0.4 4,-2.4 1,-0.2 155,-0.2 0.273 106.2 99.7 -99.7 6.4 -13.8 33.0 15.9 19 20 A F H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.931 83.7 45.5 -68.8 -48.2 -12.0 29.6 16.4 20 21 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.951 113.8 51.6 -59.5 -44.4 -15.0 27.5 17.5 21 22 A W H > S+ 0 0 75 150,-0.4 4,-2.5 -4,-0.3 -2,-0.2 0.905 111.3 47.0 -56.0 -46.7 -17.1 29.1 14.7 22 23 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.940 111.2 50.6 -64.8 -45.4 -14.5 28.2 12.1 23 24 A K H X S+ 0 0 86 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.940 114.5 43.8 -53.8 -50.6 -14.0 24.6 13.4 24 25 A K H X S+ 0 0 143 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.850 110.9 54.3 -66.7 -33.8 -17.8 24.0 13.3 25 26 A R H X S+ 0 0 84 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.918 110.7 47.0 -67.7 -39.5 -18.2 25.7 9.8 26 27 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.4 0.894 106.9 56.7 -65.6 -42.8 -15.6 23.3 8.4 27 28 A L H ><5S+ 0 0 114 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.877 96.0 65.1 -57.4 -35.0 -17.2 20.3 10.1 28 29 A A H 3<5S+ 0 0 80 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.761 105.7 45.0 -61.7 -23.4 -20.4 21.2 8.2 29 30 A D T <<5S- 0 0 74 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.339 124.0-104.5 -94.4 2.7 -18.4 20.5 5.0 30 31 A G T < 5S+ 0 0 68 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.703 76.1 141.2 77.0 20.4 -16.9 17.2 6.4 31 32 A V < - 0 0 11 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.875 50.2-131.5-102.0 127.7 -13.5 18.9 7.0 32 33 A Q E +a 3 0A 86 -30,-0.6 -28,-1.9 -2,-0.5 2,-0.4 -0.616 30.7 174.7 -79.6 124.1 -11.6 18.1 10.1 33 34 A A E -a 4 0A 2 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.986 11.4-167.5-132.1 137.7 -10.3 21.1 12.0 34 35 A D E -a 5 0A 54 -30,-2.3 -28,-2.3 -2,-0.4 2,-0.6 -0.999 14.7-143.2-128.9 123.7 -8.5 21.1 15.4 35 36 A I E -a 6 0A 29 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.821 21.9-147.4 -85.6 122.7 -7.9 24.2 17.5 36 37 A L E -a 7 0A 7 -30,-3.1 -28,-0.8 -2,-0.6 2,-0.3 -0.786 1.9-145.7 -97.3 132.9 -4.6 24.0 19.2 37 38 A N - 0 0 79 -2,-0.5 -24,-0.1 -30,-0.1 -30,-0.0 -0.693 11.6-146.5 -92.6 140.6 -3.9 25.5 22.6 38 39 A X - 0 0 9 -2,-0.3 11,-0.1 -26,-0.2 2,-0.1 -0.760 26.7 -97.5-100.7 152.3 -0.5 26.9 23.3 39 40 A P S S- 0 0 40 0, 0.0 6,-0.3 0, 0.0 10,-0.1 -0.383 94.6 -0.5 -70.1 145.7 1.2 26.8 26.8 40 41 A N > - 0 0 109 1,-0.1 3,-1.3 4,-0.1 -29,-0.1 0.912 66.6-175.1 48.7 60.3 1.1 29.8 29.1 41 42 A P T 3 S+ 0 0 41 0, 0.0 -30,-2.2 0, 0.0 -1,-0.1 0.749 80.7 56.8 -63.6 -19.9 -0.9 32.1 26.9 42 43 A L T 3 S+ 0 0 114 1,-0.2 -2,-0.1 -32,-0.2 -32,-0.1 0.730 125.0 19.6 -81.0 -21.5 -0.5 35.0 29.5 43 44 A Q S < S- 0 0 153 -3,-1.3 -1,-0.2 -4,-0.1 2,-0.1 -0.542 89.9-169.9-141.1 69.2 3.3 34.8 29.4 44 45 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.356 9.3-161.9 -72.9 147.1 4.1 33.0 26.2 45 46 A R > - 0 0 134 -6,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.992 18.2-138.2-129.6 126.9 7.6 31.7 25.3 46 47 A L H > S+ 0 0 18 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.871 101.4 54.9 -53.6 -48.0 8.5 30.9 21.7 47 48 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 110.2 46.3 -59.0 -36.8 10.4 27.8 22.5 48 49 A D H > S+ 0 0 68 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.888 111.7 50.7 -73.5 -36.7 7.4 26.3 24.4 49 50 A W H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.937 112.4 47.9 -64.8 -46.0 5.0 27.3 21.6 50 51 A L H X S+ 0 0 21 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.899 109.6 52.8 -59.8 -41.0 7.4 25.6 19.0 51 52 A D H X S+ 0 0 91 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.910 109.8 49.5 -61.7 -40.2 7.6 22.4 21.3 52 53 A T H >< S+ 0 0 27 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.942 109.7 49.8 -64.6 -46.1 3.8 22.2 21.4 53 54 A L H >< S+ 0 0 9 -4,-2.7 3,-2.0 1,-0.2 4,-0.2 0.890 102.5 62.7 -57.8 -36.4 3.5 22.6 17.6 54 55 A S H >< S+ 0 0 42 -4,-1.9 3,-1.2 1,-0.3 4,-0.4 0.756 86.6 72.9 -65.0 -18.2 6.2 19.8 17.2 55 56 A L T << S+ 0 0 115 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.717 105.8 38.6 -63.1 -21.7 3.7 17.4 19.0 56 57 A Y T X S+ 0 0 85 -3,-2.0 3,-2.2 -4,-0.3 -1,-0.2 0.306 84.8 107.6-107.3 1.3 1.7 17.5 15.7 57 58 A Q G X S+ 0 0 95 -3,-1.2 3,-1.6 1,-0.3 -2,-0.1 0.818 71.7 59.0 -61.1 -35.9 4.7 17.5 13.3 58 59 A H G 3 S+ 0 0 162 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.643 101.6 57.1 -70.5 -13.5 4.2 14.0 12.1 59 60 A T G < S+ 0 0 37 -3,-2.2 2,-0.5 2,-0.0 -1,-0.3 0.410 79.4 109.6 -93.8 0.1 0.7 14.8 10.8 60 61 A L < + 0 0 21 -3,-1.6 2,-0.2 -4,-0.2 29,-0.0 -0.705 40.8 141.5 -92.5 123.9 1.7 17.6 8.5 61 62 A H > - 0 0 52 -2,-0.5 3,-1.9 -58,-0.1 29,-0.9 -0.712 66.1 -69.2-143.8-171.0 1.3 16.9 4.9 62 63 A E T 3 S+ 0 0 84 1,-0.3 64,-0.1 27,-0.2 26,-0.1 0.600 129.4 49.8 -67.8 -18.5 0.3 18.4 1.5 63 64 A N T 3 S+ 0 0 69 -62,-0.2 -60,-1.9 26,-0.1 2,-0.4 0.104 88.8 106.9-109.0 26.8 -3.4 18.5 2.6 64 65 A T E < -b 3 0A 0 -3,-1.9 26,-1.6 -62,-0.2 27,-1.3 -0.852 48.6-168.1-101.7 140.8 -2.7 20.2 5.9 65 66 A Y E -bc 4 91A 12 -62,-2.4 -60,-2.9 -2,-0.4 2,-0.5 -0.973 8.2-153.2-132.2 137.1 -3.6 23.8 6.4 66 67 A L E -bc 5 92A 6 25,-2.5 27,-2.5 -2,-0.4 2,-0.5 -0.953 8.2-174.1-115.3 125.5 -2.6 26.2 9.2 67 68 A V E -bc 6 93A 1 -62,-2.8 -60,-2.8 -2,-0.5 2,-0.3 -0.974 15.6-179.7-116.1 123.1 -4.8 29.1 10.2 68 69 A A E -bc 7 94A 0 25,-2.7 27,-3.2 -2,-0.5 2,-0.4 -0.908 18.6-146.1-128.4 153.1 -3.2 31.4 12.9 69 70 A H E > - c 0 95A 4 -62,-2.5 3,-2.4 -2,-0.3 27,-0.2 -0.974 56.3 -53.0-122.8 128.6 -4.2 34.5 14.7 70 71 A S T > S+ 0 0 9 25,-2.9 3,-2.4 -2,-0.4 28,-0.4 -0.144 131.4 18.5 55.2-116.8 -1.9 37.3 15.8 71 72 A L T 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.785 118.4 67.8 -57.5 -26.5 1.0 35.8 17.9 72 73 A G H <> S+ 0 0 0 -3,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.772 91.1 66.4 -62.0 -27.3 0.3 32.4 16.5 73 74 A C H <> S+ 0 0 0 -3,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.973 102.9 38.9 -58.6 -62.4 1.5 33.8 13.1 74 75 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 114.6 59.1 -62.4 -28.6 5.2 34.4 13.9 75 76 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.963 107.7 41.4 -61.6 -48.8 5.1 31.2 15.9 76 77 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.848 112.0 57.8 -72.0 -27.7 4.1 29.1 12.9 77 78 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.939 109.2 44.5 -63.6 -45.2 6.6 31.0 10.7 78 79 A R H X S+ 0 0 26 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.883 112.1 54.0 -63.3 -39.9 9.4 30.1 13.0 79 80 A F H >< S+ 0 0 15 -4,-2.2 3,-0.6 -5,-0.2 4,-0.4 0.930 108.4 47.7 -58.0 -48.6 8.1 26.5 13.1 80 81 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.851 103.4 63.2 -66.3 -32.7 8.1 26.2 9.3 81 82 A E H 3< S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.6 36.4 -57.4 -36.7 11.6 27.6 9.0 82 83 A H T << S+ 0 0 158 -4,-1.1 2,-0.4 -3,-0.6 -1,-0.2 0.365 93.9 109.5-101.5 8.2 13.0 24.6 11.0 83 84 A L < - 0 0 14 -3,-1.0 2,-0.7 -4,-0.4 -3,-0.0 -0.686 60.2-143.2 -91.1 128.4 10.7 21.9 9.5 84 85 A Q - 0 0 196 -2,-0.4 2,-0.4 2,-0.0 3,-0.1 -0.822 30.5-177.0 -85.2 113.2 12.1 19.3 7.2 85 86 A L - 0 0 46 -2,-0.7 3,-0.1 1,-0.1 -24,-0.1 -0.944 33.9-156.1-120.0 137.7 9.3 18.8 4.7 86 87 A R S S- 0 0 220 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.777 89.3 -0.8 -76.7 -31.8 9.1 16.3 1.8 87 88 A A S S- 0 0 48 37,-0.1 -1,-0.3 -3,-0.1 37,-0.0 -0.982 92.7 -79.0-151.8 164.9 6.6 18.6 0.2 88 89 A A - 0 0 30 -2,-0.3 37,-0.3 -3,-0.1 36,-0.2 -0.205 47.1-111.2 -61.7 142.4 4.8 22.0 0.9 89 90 A L E - d 0 125A 0 35,-2.9 37,-3.0 -26,-0.1 38,-0.3 -0.308 34.9-103.4 -58.6 159.5 1.9 22.1 3.3 90 91 A G E S- 0 0 1 -26,-1.6 37,-1.1 -29,-0.9 2,-0.3 0.908 80.8 -62.5 -56.5 -43.5 -1.5 22.8 1.7 91 92 A G E -cd 65 127A 0 -27,-1.3 -25,-2.5 35,-0.2 2,-0.3 -0.959 37.1-121.4 170.3 171.1 -1.4 26.4 3.0 92 93 A I E -cd 66 128A 1 35,-2.1 37,-1.7 -2,-0.3 2,-0.4 -0.983 9.5-164.1-135.8 141.9 -1.3 29.0 5.7 93 94 A I E -cd 67 129A 0 -27,-2.5 -25,-2.7 -2,-0.3 2,-0.8 -0.990 9.6-160.3-126.8 123.3 -3.6 31.9 6.6 94 95 A L E > -cd 68 130A 0 35,-2.7 37,-1.7 -2,-0.4 3,-1.1 -0.871 3.3-160.4-111.1 98.9 -2.2 34.5 8.9 95 96 A V E 3 S-cd 69 131A 0 -27,-3.2 -25,-2.9 -2,-0.8 -22,-0.2 -0.713 83.5 -9.8 -82.7 117.8 -4.9 36.6 10.6 96 97 A S T 3 S- 0 0 0 35,-3.2 -1,-0.3 -2,-0.6 36,-0.1 0.858 98.5-177.2 58.6 39.0 -3.3 39.8 11.8 97 98 A G < + 0 0 0 -3,-1.1 2,-0.3 34,-0.3 50,-0.2 -0.298 11.5 170.5 -68.7 151.2 0.0 38.3 11.0 98 99 A F - 0 0 1 -28,-0.4 46,-0.1 -3,-0.1 4,-0.1 -0.975 27.4-164.9-155.6 157.3 3.3 40.1 11.8 99 100 A A S S+ 0 0 16 -2,-0.3 2,-0.3 44,-0.2 17,-0.1 -0.001 71.1 58.1-136.8 25.0 7.0 39.3 11.8 100 101 A K S S- 0 0 83 13,-0.0 13,-0.1 15,-0.0 11,-0.0 -0.958 96.8 -60.2-148.8 166.4 8.5 42.3 13.8 101 102 A S - 0 0 41 -2,-0.3 5,-0.1 11,-0.2 -2,-0.1 -0.185 41.8-136.9 -53.0 135.6 8.2 43.8 17.3 102 103 A L > - 0 0 3 3,-0.4 3,-1.7 1,-0.1 6,-0.2 -0.823 9.8-147.4 -90.2 112.6 4.8 45.1 18.3 103 104 A P T 3 S+ 0 0 78 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.822 97.7 47.0 -52.7 -31.8 5.4 48.5 20.0 104 105 A T T 3 S+ 0 0 97 34,-0.4 3,-0.1 1,-0.2 35,-0.1 0.556 120.7 38.2 -89.1 -6.6 2.4 48.1 22.3 105 106 A L X + 0 0 35 -3,-1.7 3,-1.7 33,-0.2 -3,-0.4 -0.459 62.9 151.1-137.7 59.5 3.4 44.4 23.3 106 107 A Q G > + 0 0 121 -3,-0.5 3,-2.6 1,-0.3 4,-0.2 0.795 64.3 77.8 -66.5 -22.3 7.2 44.5 23.5 107 108 A X G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.656 92.6 54.3 -56.9 -16.4 7.0 41.6 26.1 108 109 A L G X S+ 0 0 6 -3,-1.7 3,-2.0 -6,-0.2 4,-0.4 0.253 73.0 114.2-101.9 8.6 6.4 39.4 23.0 109 110 A D G X> + 0 0 51 -3,-2.6 3,-1.3 1,-0.3 4,-1.1 0.742 61.7 70.3 -56.2 -25.3 9.5 40.5 21.2 110 111 A E G 34 S+ 0 0 56 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.781 90.2 62.3 -67.4 -22.6 11.1 37.1 21.4 111 112 A F G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.727 118.5 25.0 -71.9 -23.7 8.6 35.7 18.9 112 113 A T T <4 S+ 0 0 8 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.324 85.1 123.8-123.1 3.7 9.8 38.1 16.1 113 114 A Q < + 0 0 142 -4,-1.1 -13,-0.0 -13,-0.1 2,-0.0 -0.513 65.7 27.3 -75.3 134.8 13.4 39.0 16.9 114 115 A G S S- 0 0 56 -2,-0.2 2,-0.0 2,-0.0 0, 0.0 0.212 97.7 -70.1 97.2 148.6 15.6 38.1 14.1 115 116 A S - 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