==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-01 1EBB . COMPND 2 MOLECULE: PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR D.J.RIGDEN,M.J.JEDRZEJAS . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.4 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 . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 29.7 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 1 0 0 0 1 0 1 1 1 0 0 0 1 0 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 58 0, 0.0 141,-2.2 0, 0.0 142,-0.4 0.000 360.0 360.0 360.0 101.5 82.3 -36.0 -24.6 2 3 A T E -A 185 0A 3 183,-1.7 183,-3.3 140,-0.2 2,-0.5 -0.989 360.0-142.7-141.6 146.9 78.6 -35.1 -24.5 3 4 A T E -Ab 184 144A 21 140,-2.4 142,-2.4 -2,-0.3 2,-0.6 -0.962 17.0-160.6-114.8 122.0 76.8 -31.8 -24.1 4 5 A L E -Ab 183 145A 0 179,-3.3 179,-2.8 -2,-0.5 2,-0.6 -0.900 6.8-160.5-108.7 119.1 73.6 -31.8 -22.0 5 6 A Y E -Ab 182 146A 43 140,-3.6 142,-3.0 -2,-0.6 2,-0.4 -0.845 20.3-167.5 -92.9 124.7 70.9 -29.1 -22.3 6 7 A L E +Ab 181 147A 1 175,-3.3 175,-1.9 -2,-0.6 2,-0.3 -0.925 18.9 139.2-119.3 142.3 68.7 -29.2 -19.1 7 8 A T E - b 0 148A 3 140,-2.0 142,-2.9 -2,-0.4 2,-0.3 -0.966 36.2-124.9-163.8 172.2 65.5 -27.6 -18.4 8 9 A R E - b 0 149A 34 168,-0.4 170,-3.4 -2,-0.3 142,-0.2 -0.928 38.5 -92.2-127.9 154.3 62.1 -28.1 -16.8 9 10 A H - 0 0 5 140,-1.6 170,-0.1 -2,-0.3 50,-0.1 -0.091 45.3-112.9 -59.1 163.5 58.6 -27.6 -18.2 10 11 A G - 0 0 2 22,-0.3 22,-0.1 48,-0.2 -1,-0.1 -0.054 56.1 -33.8 -87.3-166.9 56.8 -24.3 -17.8 11 12 A E - 0 0 78 17,-0.1 18,-2.3 166,-0.1 2,-0.3 -0.113 57.2-173.3 -51.9 140.1 53.7 -23.2 -15.9 12 13 A T B > -F 28 0B 0 16,-0.3 4,-1.9 -3,-0.1 5,-0.3 -0.825 39.6 -99.8-129.3 167.1 50.8 -25.6 -15.5 13 14 A K H > S+ 0 0 117 14,-2.3 4,-2.1 -2,-0.3 5,-0.2 0.949 124.2 46.2 -54.1 -54.0 47.3 -25.2 -14.1 14 15 A W H 4>S+ 0 0 47 2,-0.2 5,-2.7 1,-0.2 4,-0.4 0.788 105.8 62.4 -61.4 -27.3 48.3 -26.8 -10.8 15 16 A N H >45S+ 0 0 60 2,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.985 110.9 36.4 -60.7 -56.5 51.4 -24.6 -10.6 16 17 A V H 3<5S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.804 116.2 55.2 -65.3 -29.1 49.3 -21.4 -10.6 17 18 A E T 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.503 109.4-130.3 -80.1 -4.3 46.8 -23.3 -8.4 18 19 A R T < 5 + 0 0 178 -3,-1.4 75,-1.0 -4,-0.4 2,-0.4 0.788 57.9 145.8 58.2 30.3 49.7 -24.0 -6.1 19 20 A R B < -G 92 0C 79 -5,-2.7 2,-0.3 73,-0.2 73,-0.2 -0.805 53.1-117.3 -94.6 137.5 48.7 -27.7 -6.0 20 21 A M - 0 0 21 71,-2.2 70,-2.8 68,-0.4 71,-0.3 -0.572 31.5-175.1 -77.4 138.0 51.6 -30.1 -5.8 21 22 A Q > + 0 0 13 -2,-0.3 3,-1.5 68,-0.2 2,-0.5 0.895 21.2 148.0 -97.4 -74.2 51.9 -32.4 -8.8 22 23 A G T 3 S- 0 0 1 1,-0.3 60,-0.4 62,-0.1 62,-0.2 -0.605 89.3 -8.5 71.9-123.1 54.6 -35.1 -8.6 23 24 A W T 3 S+ 0 0 90 -2,-0.5 -1,-0.3 60,-0.1 2,-0.1 0.657 121.4 83.6 -84.1 -17.4 53.3 -38.1 -10.6 24 25 A Q S < S- 0 0 91 -3,-1.5 2,-0.3 32,-0.1 66,-0.1 -0.487 75.2-146.4 -76.9 163.4 49.8 -36.7 -11.1 25 26 A D - 0 0 66 -2,-0.1 -2,-0.1 -4,-0.1 -1,-0.0 -0.837 22.3-175.6-132.1 167.1 49.7 -34.3 -14.1 26 27 A S - 0 0 5 -2,-0.3 -11,-0.1 -13,-0.0 32,-0.0 -0.947 35.7 -93.4-160.5 142.4 48.0 -31.2 -15.3 27 28 A P - 0 0 58 0, 0.0 -14,-2.3 0, 0.0 -13,-0.2 -0.082 43.6 -99.0 -58.2 155.3 48.1 -29.2 -18.7 28 29 A L B -F 12 0B 13 -16,-0.3 -16,-0.3 29,-0.1 2,-0.2 -0.325 37.0-121.7 -70.0 156.1 50.4 -26.3 -19.4 29 30 A T > - 0 0 22 -18,-2.3 4,-1.8 1,-0.1 5,-0.2 -0.517 31.3 -99.4 -93.8 168.1 49.0 -22.8 -19.1 30 31 A E H > S+ 0 0 111 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.906 129.2 50.7 -53.7 -40.3 49.0 -20.4 -21.9 31 32 A K H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.900 104.5 57.0 -65.5 -39.1 52.1 -18.9 -20.3 32 33 A G H > S+ 0 0 0 1,-0.2 4,-1.5 -21,-0.2 -22,-0.3 0.833 107.4 48.7 -60.1 -32.9 53.7 -22.3 -20.1 33 34 A R H X S+ 0 0 98 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.859 109.5 51.0 -75.8 -36.2 53.3 -22.7 -23.9 34 35 A Q H X S+ 0 0 70 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.897 109.1 51.8 -67.5 -40.4 54.8 -19.3 -24.7 35 36 A D H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.916 111.5 46.7 -62.2 -42.2 57.8 -20.0 -22.5 36 37 A A H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.901 110.4 52.4 -66.6 -41.9 58.4 -23.3 -24.3 37 38 A M H X S+ 0 0 87 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.962 110.9 48.0 -57.2 -51.0 58.0 -21.6 -27.7 38 39 A R H X S+ 0 0 87 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.841 112.9 47.0 -58.6 -37.1 60.6 -19.1 -26.7 39 40 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.874 108.3 57.2 -72.3 -35.4 62.9 -21.8 -25.5 40 41 A G H < S+ 0 0 8 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 107.8 48.0 -62.2 -32.0 62.2 -23.6 -28.7 41 42 A K H >< S+ 0 0 132 -4,-1.8 3,-1.6 2,-0.2 4,-0.3 0.916 106.6 54.6 -75.0 -44.0 63.4 -20.5 -30.6 42 43 A R H >< S+ 0 0 92 -4,-2.0 3,-0.5 1,-0.3 4,-0.3 0.859 111.7 46.0 -58.0 -35.0 66.6 -20.2 -28.5 43 44 A L T 3< S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.2 5,-0.3 0.382 78.5 104.2 -90.3 3.3 67.5 -23.8 -29.4 44 45 A E T < S+ 0 0 126 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.774 87.9 43.0 -54.6 -27.8 66.7 -23.5 -33.1 45 46 A A S < S+ 0 0 89 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.806 89.9 96.5 -88.6 -34.7 70.5 -23.3 -33.7 46 47 A V S S- 0 0 27 -4,-0.3 2,-1.6 1,-0.1 -3,-0.0 -0.360 77.2-129.7 -59.3 132.7 71.7 -26.0 -31.3 47 48 A E - 0 0 173 -2,-0.1 97,-0.5 98,-0.0 2,-0.3 -0.604 31.5-168.9 -87.5 79.9 72.2 -29.3 -33.2 48 49 A L - 0 0 16 -2,-1.6 97,-0.2 -5,-0.3 3,-0.1 -0.523 17.9-166.3 -72.4 129.6 70.2 -31.5 -30.8 49 50 A A - 0 0 34 95,-3.2 2,-0.3 -2,-0.3 96,-0.2 0.749 69.8 -21.9 -85.7 -25.3 70.6 -35.2 -31.5 50 51 A A E -c 145 0A 1 94,-0.6 96,-2.1 22,-0.1 2,-0.4 -0.983 55.6-121.9-169.2 175.5 67.6 -36.1 -29.3 51 52 A I E -cd 146 74A 0 22,-1.9 24,-3.5 -2,-0.3 2,-0.4 -0.994 16.8-167.8-138.2 129.4 65.3 -35.1 -26.5 52 53 A Y E +cd 147 75A 3 94,-2.8 96,-3.0 -2,-0.4 2,-0.3 -0.930 17.6 156.8-117.2 140.2 64.6 -37.0 -23.3 53 54 A T E -cd 148 76A 0 22,-2.0 24,-2.6 -2,-0.4 27,-0.2 -0.860 42.7 -88.2-146.6 178.2 61.7 -36.1 -20.9 54 55 A S - 0 0 0 94,-0.7 24,-0.2 26,-0.3 27,-0.1 -0.331 42.2-105.7 -84.5 177.2 59.6 -37.8 -18.3 55 56 A T S S+ 0 0 53 22,-0.3 2,-0.3 21,-0.1 23,-0.1 0.350 85.5 118.2 -84.3 7.1 56.5 -39.8 -19.1 56 57 A S >> - 0 0 9 1,-0.1 4,-2.3 24,-0.1 3,-0.8 -0.572 69.3-133.8 -78.5 136.3 54.5 -36.8 -17.6 57 58 A G H 3> S+ 0 0 32 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.872 104.2 56.2 -55.1 -41.9 52.2 -35.1 -20.0 58 59 A R H 3> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.817 111.2 44.8 -62.9 -30.1 53.3 -31.6 -19.0 59 60 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.888 111.8 51.2 -80.3 -40.7 56.9 -32.5 -19.9 60 61 A L H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.891 109.0 51.9 -62.9 -39.9 56.0 -34.2 -23.2 61 62 A E H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.923 109.6 49.1 -61.9 -47.1 54.0 -31.1 -24.3 62 63 A T H X S+ 0 0 1 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.904 111.5 50.1 -60.2 -42.5 56.9 -28.8 -23.5 63 64 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.907 110.8 48.3 -64.9 -41.9 59.3 -31.1 -25.5 64 65 A E H X S+ 0 0 93 -4,-2.5 4,-2.1 2,-0.2 5,-0.4 0.902 112.2 49.1 -66.6 -38.6 57.0 -31.2 -28.5 65 66 A I H < S+ 0 0 42 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.895 114.2 46.2 -66.7 -38.8 56.6 -27.5 -28.5 66 67 A V H < S+ 0 0 6 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 111.9 49.1 -69.6 -44.7 60.3 -27.0 -28.3 67 68 A R H >< S- 0 0 65 -4,-3.0 3,-2.4 -5,-0.2 -2,-0.2 0.883 86.9-172.6 -61.8 -35.8 61.1 -29.6 -31.0 68 69 A G T 3< S- 0 0 61 -4,-2.1 -3,-0.1 1,-0.3 3,-0.1 0.801 70.0 -45.4 46.4 43.3 58.5 -27.8 -33.1 69 70 A G T 3 S+ 0 0 75 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.336 98.0 145.3 87.8 -9.9 58.4 -30.3 -36.0 70 71 A R < - 0 0 71 -3,-2.4 2,-1.7 1,-0.1 -1,-0.3 -0.274 66.4-101.3 -60.5 148.6 62.2 -30.6 -36.2 71 72 A L S S+ 0 0 182 -3,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.592 77.8 128.9 -74.7 91.4 63.4 -34.1 -37.1 72 73 A I - 0 0 9 -2,-1.7 2,-0.2 -21,-0.0 -22,-0.1 -0.973 56.1-125.9-148.2 130.0 64.4 -35.1 -33.6 73 74 A P - 0 0 52 0, 0.0 -22,-1.9 0, 0.0 2,-0.5 -0.529 18.5-150.8 -78.6 144.9 63.4 -38.2 -31.6 74 75 A I E -d 51 0A 32 -2,-0.2 2,-0.4 -24,-0.2 -22,-0.2 -0.971 12.0-168.4-114.7 128.0 61.8 -37.7 -28.2 75 76 A Y E -d 52 0A 91 -24,-3.5 -22,-2.0 -2,-0.5 2,-0.4 -0.923 9.4-147.9-116.7 143.7 62.4 -40.4 -25.6 76 77 A Q E -d 53 0A 92 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.934 12.5-171.5-112.9 133.1 60.5 -40.7 -22.4 77 78 A D > - 0 0 23 -24,-2.6 3,-1.9 -2,-0.4 -22,-0.3 -0.990 22.7-147.6-127.6 125.9 62.2 -42.2 -19.3 78 79 A E G > S+ 0 0 100 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.840 96.4 71.3 -57.5 -33.0 60.4 -43.0 -16.1 79 80 A R G 3 S+ 0 0 74 1,-0.3 -1,-0.3 49,-0.1 53,-0.2 0.506 92.3 58.6 -63.9 -2.8 63.6 -42.1 -14.1 80 81 A L G < S+ 0 0 0 -3,-1.9 70,-0.3 -27,-0.2 -1,-0.3 0.245 77.6 121.3-109.6 8.8 63.0 -38.4 -15.0 81 82 A R S < S- 0 0 62 -3,-2.3 69,-0.1 -28,-0.1 3,-0.1 -0.262 72.8 -96.3 -66.2 160.3 59.5 -38.2 -13.4 82 83 A E - 0 0 24 -60,-0.4 -1,-0.1 1,-0.2 -2,-0.0 -0.303 60.4 -69.3 -71.9 164.5 59.0 -35.6 -10.7 83 84 A I - 0 0 1 1,-0.1 2,-0.8 -61,-0.1 -1,-0.2 -0.290 54.0-114.2 -55.4 135.1 59.4 -36.7 -7.1 84 85 A H - 0 0 49 -62,-0.2 36,-3.0 1,-0.1 -1,-0.1 -0.677 31.4-169.9 -76.3 111.2 56.5 -39.0 -6.2 85 86 A L > - 0 0 9 -2,-0.8 3,-2.2 34,-0.2 34,-0.2 0.285 12.2-162.9 -87.2 9.9 54.7 -37.0 -3.5 86 87 A G G > S+ 0 0 17 1,-0.3 3,-1.6 32,-0.2 -1,-0.2 -0.141 72.1 6.6 47.6-127.3 52.3 -39.7 -2.4 87 88 A D G 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.599 122.4 70.1 -61.8 -14.9 49.3 -38.4 -0.4 88 89 A W G X S+ 0 0 10 -3,-2.2 3,-1.8 2,-0.1 -68,-0.4 0.686 71.8 112.4 -79.5 -15.8 50.3 -34.8 -1.1 89 90 A E T < S+ 0 0 20 -3,-1.6 -68,-0.2 1,-0.3 3,-0.1 -0.254 81.2 13.2 -70.8 141.1 49.5 -34.8 -4.8 90 91 A G T 3 S+ 0 0 18 -70,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.503 105.2 112.2 79.4 3.7 46.6 -32.8 -6.1 91 92 A K < - 0 0 56 -3,-1.8 -71,-2.2 -71,-0.3 -1,-0.3 -0.845 66.7-119.5-112.1 145.8 46.5 -30.9 -2.8 92 93 A T B > -G 19 0C 30 -2,-0.3 4,-2.0 -73,-0.2 -73,-0.2 -0.295 27.6-109.5 -76.7 163.6 47.3 -27.3 -2.1 93 94 A H H > S+ 0 0 54 -75,-1.0 4,-2.8 2,-0.2 5,-0.3 0.947 120.3 50.7 -59.4 -49.8 50.0 -26.2 0.3 94 95 A D H > S+ 0 0 93 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.933 110.3 51.8 -52.6 -46.4 47.6 -24.9 2.9 95 96 A E H 4 S+ 0 0 85 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.875 110.9 47.5 -57.6 -40.8 45.8 -28.2 2.6 96 97 A I H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-1.8 0.898 103.2 58.8 -71.1 -41.8 49.1 -30.0 3.3 97 98 A R H 3< S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 102.2 59.0 -58.6 -22.1 50.2 -27.9 6.2 98 99 A Q T 3< S+ 0 0 153 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.722 115.6 32.7 -77.9 -23.2 46.9 -29.2 7.8 99 100 A M T <4 S+ 0 0 62 -3,-1.8 -2,-0.2 -4,-0.5 -3,-0.1 0.904 135.7 10.2 -97.2 -62.0 48.0 -32.8 7.4 100 101 A D X + 0 0 68 -4,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.670 64.8 167.8-125.3 75.5 51.8 -33.0 7.9 101 102 A P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.870 80.2 43.1 -53.9 -44.7 53.1 -29.6 9.1 102 103 A I H > S+ 0 0 115 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.945 113.8 47.8 -72.3 -49.1 56.5 -30.9 10.0 103 104 A A H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.923 112.9 51.3 -57.9 -43.0 57.1 -33.0 7.0 104 105 A F H X S+ 0 0 20 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.879 111.0 47.4 -62.5 -38.0 56.0 -30.1 4.8 105 106 A D H X S+ 0 0 77 -4,-1.6 4,-2.9 -5,-0.2 5,-0.4 0.913 112.3 49.5 -69.8 -41.2 58.4 -27.8 6.7 106 107 A H H X S+ 0 0 50 -4,-3.1 4,-2.5 3,-0.2 8,-0.3 0.899 102.3 63.3 -61.1 -42.6 61.2 -30.4 6.3 107 108 A F H < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 119.8 23.3 -47.4 -51.0 60.5 -30.7 2.6 108 109 A W H < S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.730 136.6 31.8 -90.1 -25.9 61.4 -27.0 2.0 109 110 A Q H < S+ 0 0 131 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.708 133.1 17.3-105.6 -29.6 63.6 -26.4 5.1 110 111 A A >X + 0 0 14 -4,-2.5 3,-2.9 -5,-0.4 4,-0.5 -0.498 64.0 172.3-146.2 68.2 65.5 -29.6 5.8 111 112 A P G >4 S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 11,-0.3 0.832 79.3 60.8 -45.6 -42.6 65.1 -31.8 2.7 112 113 A H G 34 S+ 0 0 98 1,-0.3 55,-0.1 54,-0.1 -5,-0.1 0.594 104.0 50.9 -65.8 -11.1 67.5 -34.3 4.2 113 114 A L G <4 S+ 0 0 90 -3,-2.9 2,-0.5 -7,-0.3 -1,-0.3 0.501 81.0 116.0-102.0 -8.9 65.1 -34.8 7.0 114 115 A Y << + 0 0 7 -3,-1.6 8,-0.3 -4,-0.5 -11,-0.1 -0.486 33.4 164.2 -66.5 115.8 62.1 -35.4 4.7 115 116 A A - 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