==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-02 1H2F . COMPND 2 MOLECULE: PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR D.J.RIGDEN,J.E.LITTLEJOHN,M.J.JEDRZEJAS . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.2 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 . 1 0.5 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 . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 29.0 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+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 1 0 0 1 0 1 0 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 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 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 A 0 0 59 0, 0.0 141,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 91.7 83.2 -36.5 -24.8 2 3 A T E -A 185 0A 2 183,-2.1 183,-3.1 140,-0.2 2,-0.5 -0.999 360.0-145.8-140.3 138.7 79.5 -35.7 -24.6 3 4 A T E -Ab 184 144A 25 140,-2.2 142,-2.2 -2,-0.3 2,-0.5 -0.923 17.3-163.4-106.8 124.8 77.6 -32.4 -24.3 4 5 A L E -Ab 183 145A 0 179,-3.3 179,-3.0 -2,-0.5 2,-0.5 -0.929 8.6-164.2-114.0 121.8 74.4 -32.4 -22.2 5 6 A Y E -Ab 182 146A 42 140,-2.6 142,-3.0 -2,-0.5 2,-0.4 -0.894 16.3-167.3 -98.4 126.2 71.8 -29.7 -22.4 6 7 A L E +Ab 181 147A 2 175,-3.3 175,-1.8 -2,-0.5 2,-0.3 -0.941 12.7 162.5-117.8 138.3 69.4 -29.9 -19.4 7 8 A T E - b 0 148A 2 140,-2.5 142,-2.5 -2,-0.4 2,-0.3 -0.908 29.9-117.8-145.5 174.1 66.1 -28.1 -19.0 8 9 A R E - b 0 149A 16 168,-0.4 170,-2.4 171,-0.4 142,-0.2 -0.858 40.2 -91.4-116.4 150.5 62.8 -28.1 -17.0 9 10 A H - 0 0 2 140,-1.6 50,-0.1 -2,-0.3 170,-0.1 -0.185 51.8-101.6 -55.0 148.6 59.2 -28.6 -18.2 10 11 A G - 0 0 0 48,-0.5 22,-0.1 167,-0.2 -1,-0.1 -0.103 57.1 -62.0 -66.6 172.7 57.4 -25.4 -19.1 11 12 A E - 0 0 12 166,-0.1 18,-2.8 17,-0.1 21,-0.3 -0.340 60.1-164.1 -59.8 128.3 54.9 -23.7 -16.8 12 13 A T B > -F 28 0B 0 16,-0.3 4,-1.6 -3,-0.1 16,-0.2 -0.531 33.3-102.8-107.4 177.7 51.9 -26.0 -16.1 13 14 A K H > S+ 0 0 119 14,-2.0 4,-2.0 1,-0.2 5,-0.2 0.931 122.2 47.6 -66.5 -45.7 48.5 -25.3 -14.7 14 15 A W H 4>S+ 0 0 56 2,-0.2 5,-3.0 1,-0.2 4,-0.4 0.802 104.2 61.4 -66.8 -29.1 49.3 -26.7 -11.3 15 16 A N H >45S+ 0 0 12 3,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.966 108.1 44.8 -58.8 -50.4 52.6 -24.7 -11.2 16 17 A V H 3<5S+ 0 0 72 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.909 114.4 48.0 -58.0 -45.1 50.3 -21.6 -11.4 17 18 A E T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.397 112.0-120.6 -78.8 2.3 47.9 -22.9 -8.8 18 19 A R T < 5 + 0 0 104 -3,-1.3 75,-0.9 -4,-0.4 2,-0.5 0.873 62.5 148.6 59.2 38.7 50.9 -23.9 -6.5 19 20 A R B < -G 92 0C 79 -5,-3.0 73,-0.2 73,-0.2 -1,-0.2 -0.917 49.3-121.9-106.6 126.5 49.8 -27.5 -6.6 20 21 A M - 0 0 20 71,-1.9 70,-3.1 -2,-0.5 71,-0.2 -0.428 25.6-173.1 -68.3 137.6 52.5 -30.2 -6.3 21 22 A Q > + 0 0 11 68,-0.2 3,-2.2 -2,-0.1 2,-0.2 0.887 16.7 158.5 -98.7 -52.2 52.6 -32.6 -9.2 22 23 A G T 3 S- 0 0 1 1,-0.3 60,-0.4 62,-0.1 62,-0.2 -0.444 85.7 -14.9 62.4-126.8 55.1 -35.3 -8.5 23 24 A W T 3 S+ 0 0 88 -2,-0.2 -1,-0.3 58,-0.1 2,-0.1 0.588 127.0 85.8 -84.3 -11.1 54.2 -38.3 -10.7 24 25 A Q S < S- 0 0 88 -3,-2.2 2,-0.3 32,-0.1 66,-0.1 -0.400 71.1-152.6 -80.0 168.8 50.8 -36.7 -11.4 25 26 A D - 0 0 60 -2,-0.1 -2,-0.1 32,-0.1 -1,-0.0 -0.924 19.5-168.7-143.5 164.9 50.7 -34.2 -14.2 26 27 A S - 0 0 6 -2,-0.3 32,-0.1 -13,-0.0 -11,-0.1 -0.977 36.2 -91.7-152.2 149.4 48.9 -31.2 -15.6 27 28 A P - 0 0 80 0, 0.0 -14,-2.0 0, 0.0 -13,-0.2 -0.176 43.0 -98.8 -64.4 154.1 49.0 -29.4 -19.0 28 29 A L B -F 12 0B 7 -16,-0.2 -16,-0.3 -15,-0.1 -17,-0.1 -0.396 37.5-127.8 -69.4 147.1 51.3 -26.5 -20.0 29 30 A T > - 0 0 28 -18,-2.8 4,-2.5 -2,-0.1 5,-0.2 -0.307 31.3 -95.9 -87.1 177.5 49.9 -23.0 -19.8 30 31 A E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.924 130.3 48.5 -60.1 -43.4 50.0 -20.5 -22.7 31 32 A K H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.935 108.6 54.8 -62.3 -45.7 53.1 -19.0 -21.1 32 33 A G H > S+ 0 0 0 -21,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.934 109.5 45.3 -52.7 -52.4 54.6 -22.5 -20.7 33 34 A R H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 112.5 52.5 -60.0 -40.7 54.2 -23.3 -24.4 34 35 A Q H X S+ 0 0 82 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 110.7 46.4 -61.0 -48.0 55.5 -19.8 -25.4 35 36 A D H X S+ 0 0 7 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.915 111.0 52.9 -60.8 -43.9 58.6 -20.4 -23.2 36 37 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.832 110.6 47.7 -61.5 -33.9 59.1 -23.8 -24.7 37 38 A M H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.903 107.2 55.2 -75.0 -39.6 59.0 -22.4 -28.2 38 39 A R H X S+ 0 0 116 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 109.3 49.4 -56.8 -39.5 61.4 -19.6 -27.2 39 40 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 106.3 55.3 -67.4 -39.3 63.8 -22.4 -26.1 40 41 A G H < S+ 0 0 6 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.867 108.4 48.3 -61.6 -36.7 63.3 -24.3 -29.4 41 42 A K H >< S+ 0 0 136 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.919 108.3 54.4 -69.7 -42.6 64.4 -21.2 -31.3 42 43 A R H 3< S+ 0 0 82 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.857 113.7 42.2 -58.7 -35.8 67.4 -20.8 -29.1 43 44 A L T >< S+ 0 0 3 -4,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.363 80.9 104.1 -95.2 5.5 68.5 -24.4 -29.9 44 45 A E T < S+ 0 0 107 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.777 86.2 45.4 -57.6 -27.3 67.7 -24.4 -33.6 45 46 A A T 3 S+ 0 0 100 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.661 92.1 97.2 -89.2 -18.5 71.4 -24.1 -34.3 46 47 A V S < S- 0 0 29 -3,-0.8 2,-1.6 -4,-0.1 -3,-0.0 -0.584 76.7-130.8 -76.6 127.7 72.5 -26.8 -31.9 47 48 A E - 0 0 170 -2,-0.4 2,-0.4 98,-0.0 97,-0.4 -0.583 30.0-172.5 -80.9 85.8 73.0 -30.2 -33.5 48 49 A L - 0 0 12 -2,-1.6 97,-0.2 -5,-0.2 3,-0.1 -0.677 16.7-169.5 -83.0 126.4 71.0 -32.4 -31.1 49 50 A A S S- 0 0 37 95,-2.9 2,-0.3 -2,-0.4 96,-0.2 0.730 72.2 -11.9 -84.6 -24.6 71.4 -36.1 -31.8 50 51 A A E -c 145 0A 1 94,-0.5 96,-1.8 22,-0.2 2,-0.4 -0.980 57.4-132.3-166.1 166.3 68.5 -37.0 -29.5 51 52 A I E -cd 146 74A 0 22,-1.8 24,-2.7 -2,-0.3 2,-0.4 -0.997 17.6-161.4-132.2 125.9 66.2 -35.7 -26.8 52 53 A Y E +cd 147 75A 10 94,-3.0 96,-3.1 -2,-0.4 2,-0.3 -0.895 16.2 169.5-109.9 139.1 65.5 -37.5 -23.6 53 54 A T E -cd 148 76A 0 22,-2.5 24,-2.4 -2,-0.4 27,-0.2 -0.909 35.8-104.1-141.2 165.1 62.5 -36.8 -21.4 54 55 A S - 0 0 0 94,-0.9 24,-0.2 26,-0.3 6,-0.1 -0.371 43.0-105.2 -80.5 172.6 60.6 -38.3 -18.4 55 56 A T S S+ 0 0 49 22,-0.3 2,-0.2 21,-0.1 23,-0.1 0.356 83.8 119.1 -82.0 8.0 57.4 -40.1 -19.1 56 57 A S S > S- 0 0 7 1,-0.1 4,-2.6 24,-0.0 3,-0.4 -0.519 70.3-129.0 -77.8 140.9 55.4 -37.1 -17.7 57 58 A G H > S+ 0 0 34 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.898 107.8 50.6 -52.8 -46.7 53.0 -35.3 -20.0 58 59 A R H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -48,-0.5 0.835 111.4 48.3 -64.3 -33.6 54.4 -31.9 -19.2 59 60 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.939 114.5 45.0 -71.4 -47.3 57.9 -33.0 -19.9 60 61 A L H X S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.916 111.5 52.2 -61.9 -44.7 57.0 -34.7 -23.2 61 62 A E H X S+ 0 0 55 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.897 110.4 49.1 -59.5 -41.0 54.9 -31.7 -24.4 62 63 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.914 110.2 51.4 -64.5 -43.1 57.8 -29.4 -23.7 63 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.886 108.2 50.9 -62.9 -40.5 60.1 -31.7 -25.7 64 65 A E H X S+ 0 0 92 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.933 110.4 49.2 -64.7 -43.8 57.9 -31.8 -28.7 65 66 A I H < S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.927 112.4 47.9 -61.5 -44.7 57.6 -28.0 -28.8 66 67 A V H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.8 49.0 -63.8 -41.0 61.3 -27.6 -28.6 67 68 A R H >< S- 0 0 67 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 0.918 86.6-174.6 -63.7 -41.1 61.9 -30.1 -31.3 68 69 A G T 3< S- 0 0 58 -4,-2.6 -3,-0.1 1,-0.3 -4,-0.1 0.847 70.1 -42.6 48.5 49.1 59.4 -28.3 -33.4 69 70 A G T 3 S+ 0 0 78 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.214 99.8 141.0 88.2 -17.5 59.2 -30.7 -36.4 70 71 A R < - 0 0 70 -3,-1.9 2,-1.8 1,-0.1 -1,-0.3 -0.165 66.3-103.4 -58.0 154.1 63.0 -31.3 -36.5 71 72 A L S S+ 0 0 179 2,-0.0 -1,-0.1 -4,-0.0 -4,-0.0 -0.579 75.9 125.3 -83.1 80.6 64.3 -34.8 -37.3 72 73 A I - 0 0 9 -2,-1.8 -22,-0.2 -22,-0.0 -3,-0.1 -0.987 57.5-124.1-140.0 126.4 65.3 -35.8 -33.8 73 74 A P - 0 0 52 0, 0.0 -22,-1.8 0, 0.0 2,-0.5 -0.337 16.7-146.4 -70.7 152.2 64.2 -38.8 -31.8 74 75 A I E -d 51 0A 32 -24,-0.2 2,-0.4 -22,-0.0 -22,-0.2 -0.987 13.6-168.1-118.8 123.5 62.6 -38.4 -28.4 75 76 A Y E -d 52 0A 100 -24,-2.7 -22,-2.5 -2,-0.5 2,-0.4 -0.936 9.4-146.6-113.6 137.1 63.2 -41.2 -25.9 76 77 A Q E -d 53 0A 105 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.869 15.5-177.7-106.9 137.3 61.2 -41.5 -22.6 77 78 A D > - 0 0 27 -24,-2.4 3,-2.2 -2,-0.4 -22,-0.3 -0.977 25.2-149.1-138.7 120.9 62.8 -42.8 -19.4 78 79 A E G > S+ 0 0 97 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.756 95.4 72.0 -57.2 -27.1 60.9 -43.2 -16.1 79 80 A R G 3 S+ 0 0 58 1,-0.3 -1,-0.3 49,-0.1 53,-0.2 0.599 91.3 59.4 -67.6 -8.2 64.2 -42.5 -14.2 80 81 A L G < S+ 0 0 0 -3,-2.2 70,-0.4 -27,-0.2 -26,-0.3 0.337 79.6 121.3-100.9 4.7 63.8 -38.8 -15.3 81 82 A R S < S- 0 0 59 -3,-1.9 3,-0.1 -28,-0.1 -58,-0.1 -0.299 71.9 -99.6 -65.7 151.9 60.4 -38.4 -13.5 82 83 A E - 0 0 24 -60,-0.4 -1,-0.1 1,-0.2 3,-0.0 -0.181 61.3 -67.2 -64.9 164.9 60.0 -35.7 -10.9 83 84 A I - 0 0 1 1,-0.1 2,-0.6 -61,-0.1 -1,-0.2 -0.293 53.4-113.7 -57.4 135.8 60.1 -36.9 -7.2 84 85 A H - 0 0 21 -62,-0.2 36,-2.0 1,-0.1 -1,-0.1 -0.643 36.2-179.9 -75.4 115.8 57.2 -39.1 -6.2 85 86 A L > - 0 0 8 -2,-0.6 3,-2.3 1,-0.2 4,-0.4 0.156 10.5-167.5-106.3 17.6 55.3 -37.1 -3.6 86 87 A G G > S+ 0 0 14 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.046 73.1 13.8 36.3-124.9 52.4 -39.5 -2.8 87 88 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.662 122.6 64.4 -52.0 -23.3 49.6 -37.9 -0.7 88 89 A W G X S+ 0 0 17 -3,-2.3 3,-2.0 2,-0.1 -68,-0.4 0.729 75.8 108.1 -75.9 -23.2 50.9 -34.4 -1.5 89 90 A E T < S+ 0 0 19 -3,-2.1 -68,-0.2 -4,-0.4 3,-0.1 -0.329 85.3 15.9 -60.4 130.3 50.3 -34.7 -5.2 90 91 A G T 3 S+ 0 0 17 -70,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.289 105.4 107.9 91.2 -9.9 47.3 -32.6 -6.4 91 92 A K < - 0 0 72 -3,-2.0 -71,-1.9 -71,-0.2 -1,-0.3 -0.727 66.6-118.7-106.1 153.0 47.3 -30.5 -3.2 92 93 A T B > -G 19 0C 26 -2,-0.3 4,-2.1 -73,-0.2 -73,-0.2 -0.282 32.7-104.3 -78.8 167.9 48.3 -26.9 -2.6 93 94 A H H > S+ 0 0 30 -75,-0.9 4,-2.7 1,-0.2 5,-0.2 0.918 121.7 49.9 -60.0 -45.0 51.0 -25.8 -0.2 94 95 A D H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 109.4 51.4 -61.6 -41.0 48.5 -24.6 2.4 95 96 A E H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.887 112.8 46.2 -63.1 -38.1 46.6 -27.9 2.2 96 97 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.876 106.6 56.5 -72.7 -38.0 49.9 -29.8 2.7 97 98 A R H < S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 107.6 52.1 -60.7 -31.1 51.0 -27.5 5.6 98 99 A Q H < S+ 0 0 163 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.843 114.7 41.7 -71.7 -35.4 47.6 -28.6 7.1 99 100 A M H < S- 0 0 87 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.985 136.1 -2.3 -75.8 -66.4 48.4 -32.3 6.6 100 101 A D X + 0 0 74 -4,-2.2 4,-1.9 1,-0.1 -1,-0.2 -0.723 62.7 171.7-134.6 83.6 52.1 -32.7 7.6 101 102 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.863 78.8 52.3 -59.2 -41.2 53.8 -29.4 8.5 102 103 A I H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 111.8 43.4 -63.4 -51.8 57.1 -31.0 9.7 103 104 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.883 113.9 53.0 -62.2 -38.2 57.8 -33.0 6.6 104 105 A F H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.909 109.0 48.7 -64.5 -41.3 56.8 -30.1 4.5 105 106 A D H X S+ 0 0 81 -4,-2.3 4,-3.2 1,-0.2 5,-0.4 0.924 112.2 49.3 -64.0 -42.9 59.3 -27.8 6.3 106 107 A H H X S+ 0 0 48 -4,-2.5 4,-2.5 3,-0.2 8,-0.3 0.938 102.0 62.3 -60.2 -48.0 62.0 -30.5 5.9 107 108 A F H < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 120.5 24.4 -43.7 -46.7 61.3 -30.8 2.2 108 109 A W H < S+ 0 0 90 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.787 136.3 29.7 -91.6 -32.8 62.2 -27.1 1.7 109 110 A Q H < S+ 0 0 132 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.686 130.8 20.8-103.1 -28.1 64.5 -26.5 4.7 110 111 A A >X + 0 0 14 -4,-2.5 3,-2.4 -5,-0.4 4,-0.6 -0.514 61.6 173.4-145.8 70.8 66.3 -29.7 5.6 111 112 A P G >4 S+ 0 0 6 0, 0.0 3,-1.3 0, 0.0 11,-0.4 0.833 80.0 60.5 -46.5 -42.3 66.1 -32.1 2.5 112 113 A H G 34 S+ 0 0 113 1,-0.3 55,-0.1 -3,-0.1 -5,-0.1 0.691 104.9 50.0 -63.7 -18.3 68.4 -34.6 4.3 113 114 A L G <4 S+ 0 0 93 -3,-2.4 2,-0.5 -7,-0.2 -1,-0.3 0.534 80.9 112.6 -96.6 -9.6 65.7 -34.9 7.0 114 115 A Y << + 0 0 7 -3,-1.3 8,-0.2 -4,-0.6 -11,-0.1 -0.530 34.4 158.6 -68.0 117.3 62.8 -35.5 4.6 115 116 A A - 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