==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-10 2XFY . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.REJZEK,C.E.M.STEVENSON,A.M.SOUTHARD,D.STANLEY,K.DENYER,A.M . 486 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 0 1 1 0 1 1 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A N 0 0 145 0, 0.0 3,-0.3 0, 0.0 398,-0.0 0.000 360.0 360.0 360.0 103.0 43.8 29.1 33.4 2 5 A V > + 0 0 33 1,-0.2 3,-2.1 399,-0.1 4,-0.3 0.303 360.0 113.0 -97.4 10.3 41.6 26.4 31.8 3 6 A K G > + 0 0 124 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.815 68.6 65.2 -55.0 -36.7 38.5 26.7 34.2 4 7 A G G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.628 93.4 64.3 -64.8 -10.0 36.2 28.1 31.4 5 8 A N G < S+ 0 0 0 -3,-2.1 -1,-0.3 398,-0.2 433,-0.2 0.583 72.9 119.9 -84.7 -14.2 36.6 24.7 29.6 6 9 A Y < - 0 0 6 -3,-1.8 2,-0.5 -4,-0.3 431,-0.2 -0.328 44.9-165.2 -59.3 128.4 34.8 22.8 32.4 7 10 A V - 0 0 0 429,-2.2 403,-0.1 426,-0.2 402,-0.1 -0.976 20.4-124.0-117.3 123.1 31.7 20.9 31.2 8 11 A Q E -a 410 0A 5 401,-0.5 403,-1.9 -2,-0.5 2,-0.5 -0.346 19.2-149.8 -64.4 145.0 29.3 19.6 33.8 9 12 A V E -a 411 0A 0 401,-0.2 34,-2.1 32,-0.2 35,-1.2 -0.986 14.6-178.4-121.0 121.0 28.4 16.0 33.9 10 13 A Y E -ab 412 44A 7 401,-3.0 403,-2.9 -2,-0.5 2,-0.4 -0.824 15.6-143.9-107.9 155.7 25.0 14.8 35.1 11 14 A V E -ab 413 45A 0 33,-1.6 35,-1.9 -2,-0.3 2,-0.3 -0.992 17.0-126.1-123.2 129.7 23.8 11.1 35.3 12 15 A M E - b 0 46A 6 401,-2.9 404,-3.2 -2,-0.4 403,-0.4 -0.562 27.2-129.1 -69.9 132.4 20.3 10.1 34.6 13 16 A L - 0 0 1 33,-3.0 35,-0.1 -2,-0.3 -1,-0.1 -0.251 39.5 -77.3 -72.9 162.2 18.8 8.0 37.5 14 17 A P > - 0 0 22 0, 0.0 3,-1.8 0, 0.0 34,-0.2 -0.245 37.6-117.0 -57.7 153.3 17.1 4.7 36.8 15 18 A L T 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.767 118.0 53.7 -63.0 -26.1 13.6 4.8 35.4 16 19 A D T 3 + 0 0 51 1,-0.2 -1,-0.3 10,-0.0 10,-0.1 -0.028 65.9 122.3 -92.8 21.1 12.5 3.0 38.6 17 20 A A S < S+ 0 0 8 -3,-1.8 9,-0.4 1,-0.1 2,-0.4 0.886 88.3 31.6 -52.1 -39.8 14.1 5.6 41.0 18 21 A V S S- 0 0 4 -3,-0.3 6,-0.2 -4,-0.2 -1,-0.1 -0.950 107.1-112.7-113.0 135.1 10.5 6.0 42.3 19 22 A S > - 0 0 17 4,-2.8 3,-2.3 -2,-0.4 4,-0.1 -0.177 23.7-107.1 -68.2 164.1 8.5 2.8 42.1 20 23 A V T 3 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.635 122.8 60.2 -63.7 -11.1 5.5 2.2 39.8 21 24 A N T 3 S- 0 0 113 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.198 120.1-109.8 -95.7 5.2 3.5 2.5 43.1 22 25 A N S < S+ 0 0 14 -3,-2.3 44,-0.4 1,-0.2 2,-0.4 0.894 79.1 126.3 58.8 45.6 4.8 6.1 43.7 23 26 A R - 0 0 70 -4,-0.1 -4,-2.8 43,-0.1 2,-1.0 -0.971 63.8-128.8-126.9 147.7 6.9 4.9 46.7 24 27 A F + 0 0 37 -2,-0.4 3,-0.2 -6,-0.2 -6,-0.1 -0.795 48.2 147.7 -95.7 102.7 10.6 5.5 47.2 25 28 A E + 0 0 117 -2,-1.0 -1,-0.2 -8,-0.2 3,-0.1 0.360 54.7 61.7-125.7 8.2 11.8 2.0 47.9 26 29 A K > + 0 0 84 -9,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.021 61.1 127.9-127.2 34.9 15.3 1.7 46.6 27 30 A G H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 72.3 48.2 -55.9 -44.0 17.0 4.4 48.8 28 31 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 113.0 47.2 -70.9 -41.9 19.8 2.3 50.1 29 32 A E H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.923 114.3 48.1 -60.4 -47.7 20.8 1.0 46.7 30 33 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.900 108.0 54.0 -62.2 -44.2 20.7 4.4 45.2 31 34 A R H X S+ 0 0 100 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.935 109.7 48.7 -57.0 -42.3 22.7 5.9 48.1 32 35 A A H X S+ 0 0 43 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.911 112.6 47.6 -64.0 -41.1 25.5 3.3 47.4 33 36 A Q H X S+ 0 0 10 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.903 108.6 54.4 -65.5 -41.5 25.4 4.0 43.6 34 37 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.856 99.9 61.4 -65.2 -32.4 25.6 7.8 44.3 35 38 A R H X S+ 0 0 146 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.893 104.7 49.2 -55.0 -43.5 28.7 7.3 46.4 36 39 A K H X S+ 0 0 62 -4,-1.1 4,-1.4 -3,-0.4 -2,-0.2 0.885 110.0 50.0 -64.6 -36.4 30.3 5.9 43.2 37 40 A L H <>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 4,-0.4 0.906 111.6 48.9 -67.8 -39.6 29.1 8.9 41.3 38 41 A V H ><5S+ 0 0 60 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.916 106.7 54.9 -64.9 -40.9 30.6 11.2 43.9 39 42 A E H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 108.8 51.1 -57.6 -33.8 33.9 9.3 43.9 40 43 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.541 117.0-114.1 -84.1 -8.5 33.9 10.1 40.1 41 44 A G T < 5 + 0 0 17 -3,-1.4 -3,-0.2 -4,-0.4 -32,-0.2 0.647 49.6 174.3 87.5 15.2 33.3 13.8 40.5 42 45 A V < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -32,-0.2 -0.242 28.8-144.4 -58.7 142.0 29.8 14.0 38.9 43 46 A D - 0 0 0 -34,-2.1 37,-2.0 1,-0.2 2,-0.3 0.859 63.9 -47.1 -76.9 -35.9 28.1 17.4 39.2 44 47 A G E -bc 10 80A 0 -35,-1.2 -33,-1.6 35,-0.2 2,-0.3 -0.964 52.1 -98.1-173.8-171.6 24.5 16.0 39.6 45 48 A V E -bc 11 81A 0 35,-2.5 37,-2.3 -2,-0.3 2,-0.3 -0.835 20.3-141.5-126.6 166.8 21.8 13.7 38.6 46 49 A M E -bc 12 82A 0 -35,-1.9 -33,-3.0 -2,-0.3 2,-0.4 -0.971 19.4-174.3-130.8 144.7 18.7 13.9 36.4 47 50 A V E - c 0 83A 5 35,-2.2 37,-2.8 -2,-0.3 2,-0.4 -0.997 27.2-121.9-146.4 142.2 15.3 12.4 37.0 48 51 A D E - c 0 84A 15 -2,-0.4 2,-0.8 -34,-0.2 37,-0.1 -0.685 19.1-155.5 -74.2 129.2 11.9 11.9 35.4 49 52 A V E - c 0 85A 0 35,-2.3 37,-1.7 -2,-0.4 2,-0.4 -0.859 24.1-142.2-109.2 94.0 9.1 13.3 37.6 50 53 A W E >> - c 0 86A 8 -2,-0.8 4,-2.3 1,-0.1 3,-1.3 -0.415 16.4-158.0 -75.4 120.8 6.3 11.1 36.3 51 54 A W H 3> S+ 0 0 0 35,-2.5 4,-2.5 -2,-0.4 -1,-0.1 0.882 95.6 57.7 -56.5 -42.7 2.8 12.7 35.9 52 55 A G H 34 S+ 0 0 16 34,-0.4 -1,-0.3 36,-0.3 52,-0.2 0.699 110.6 43.8 -66.0 -24.4 1.2 9.3 36.1 53 56 A L H X4 S+ 0 0 13 -3,-1.3 3,-0.7 47,-0.1 -2,-0.2 0.900 120.2 37.4 -79.3 -48.1 2.8 8.7 39.6 54 57 A V H 3< S+ 0 0 1 -4,-2.3 9,-2.2 1,-0.2 3,-0.3 0.875 127.8 29.6 -80.0 -43.2 2.2 12.1 41.1 55 58 A E T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 6,-0.2 -0.072 85.2 117.3-106.7 31.7 -1.3 13.1 39.8 56 59 A G < + 0 0 31 -3,-0.7 49,-0.4 1,-0.2 48,-0.2 0.847 64.4 59.7 -68.8 -26.8 -2.6 9.5 39.5 57 60 A K S S- 0 0 192 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.893 118.4 -60.4 -70.3 -43.5 -5.5 9.7 42.1 58 61 A G S > S- 0 0 12 3,-0.1 3,-2.1 -3,-0.1 -1,-0.3 -0.946 81.5 -30.9 171.5 172.8 -7.5 12.4 40.5 59 62 A P T 3 S- 0 0 60 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 -0.280 125.8 -5.9 -57.6 127.1 -7.3 16.0 39.5 60 63 A K T 3 S+ 0 0 125 1,-0.2 2,-1.3 -5,-0.1 -5,-0.0 0.512 92.6 129.0 68.7 10.7 -5.1 18.1 41.6 61 64 A A < - 0 0 35 -3,-2.1 -4,-0.5 -6,-0.2 2,-0.2 -0.386 40.1-179.3 -91.0 61.0 -4.5 15.2 44.0 62 65 A Y - 0 0 48 -2,-1.3 2,-0.6 -7,-0.1 -7,-0.2 -0.415 17.6-165.3 -72.8 132.4 -0.7 15.5 43.9 63 66 A D + 0 0 75 -9,-2.2 3,-0.3 -2,-0.2 4,-0.2 -0.891 17.9 164.5-118.7 94.6 1.3 13.0 45.9 64 67 A W > + 0 0 11 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.349 41.8 108.9 -91.2 4.3 4.9 14.3 46.2 65 68 A S H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 80.1 41.4 -52.7 -50.8 5.9 12.0 49.0 66 69 A A H > S+ 0 0 0 -44,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.909 114.5 50.8 -67.0 -45.9 8.3 9.7 47.1 67 70 A Y H > S+ 0 0 2 -4,-0.2 4,-2.7 1,-0.2 5,-0.2 0.876 107.6 53.5 -60.5 -40.2 9.9 12.5 45.1 68 71 A K H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 109.0 49.6 -62.5 -37.5 10.6 14.5 48.2 69 72 A Q H X S+ 0 0 98 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.913 112.6 48.0 -64.5 -45.1 12.4 11.5 49.8 70 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.4 48.8 -58.3 -48.9 14.4 11.1 46.6 71 74 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.894 108.4 54.1 -64.6 -36.3 15.4 14.7 46.4 72 75 A E H X S+ 0 0 89 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.918 108.1 50.6 -62.2 -40.9 16.4 14.7 50.0 73 76 A L H X S+ 0 0 15 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.933 110.8 48.2 -62.5 -45.7 18.7 11.8 49.4 74 77 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.8 0.933 111.8 49.9 -60.2 -44.7 20.3 13.6 46.4 75 78 A Q H ><5S+ 0 0 76 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.927 108.1 53.3 -58.4 -47.3 20.8 16.7 48.5 76 79 A K H 3<5S+ 0 0 148 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.633 104.0 57.5 -68.0 -12.2 22.4 14.7 51.2 77 80 A A T <<5S- 0 0 32 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.440 114.9-116.9 -89.7 -3.9 24.8 13.3 48.6 78 81 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.693 70.5 135.2 74.7 17.9 26.0 16.8 47.7 79 82 A L < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.0 -35,-0.2 -0.729 52.8-126.8 -99.9 146.9 24.7 16.4 44.1 80 83 A K E -c 44 0A 23 -37,-2.0 -35,-2.5 -2,-0.3 2,-0.4 -0.393 25.9-137.3 -81.4 171.3 22.7 18.9 42.0 81 84 A L E -cd 45 169A 0 87,-2.6 89,-2.4 -37,-0.2 90,-0.9 -0.997 14.6-162.6-141.2 129.5 19.4 17.8 40.4 82 85 A Q E -cd 46 171A 19 -37,-2.3 -35,-2.2 -2,-0.4 2,-0.5 -0.964 21.9-154.9-108.3 127.9 17.8 18.3 37.0 83 86 A A E -cd 47 172A 0 88,-2.5 90,-2.5 -2,-0.5 2,-0.5 -0.928 4.0-151.7-112.1 126.6 14.1 17.6 37.1 84 87 A I E -cd 48 173A 7 -37,-2.8 -35,-2.3 -2,-0.5 2,-1.2 -0.836 14.1-139.5 -94.9 126.2 12.0 16.5 34.0 85 88 A M E -cd 49 174A 0 88,-3.2 90,-1.7 -2,-0.5 2,-1.3 -0.737 28.5-159.9 -80.4 96.2 8.3 17.4 34.1 86 89 A S E +c 50 0A 0 -37,-1.7 -35,-2.5 -2,-1.2 -34,-0.4 -0.628 26.5 166.4 -97.6 87.3 7.4 14.0 32.6 87 90 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.2 2,-0.3 -0.100 56.2 74.2 -90.0 37.3 3.9 14.4 31.0 88 91 A H S S- 0 0 7 -2,-0.3 -36,-0.3 41,-0.1 2,-0.3 -0.884 87.9 -79.7-147.1 167.2 4.2 11.1 29.2 89 92 A Q - 0 0 25 39,-1.8 2,-0.5 -2,-0.3 90,-0.4 -0.531 33.0-140.9 -75.5 136.1 4.1 7.3 29.5 90 93 A C B -I 100 0B 4 10,-2.7 10,-2.3 -2,-0.3 -1,-0.0 -0.846 67.5 -28.5 -89.8 129.1 7.2 5.5 30.8 91 94 A G + 0 0 18 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.241 59.3 151.3 68.3-143.0 7.7 2.2 28.9 92 95 A G + 0 0 37 1,-0.4 2,-0.2 4,-0.1 -1,-0.1 0.548 48.1 111.0 83.1 10.0 4.8 0.3 27.4 93 96 A N S > S- 0 0 44 1,-0.1 3,-2.1 96,-0.0 -1,-0.4 -0.680 84.2 -71.0-106.6 168.0 6.9 -1.3 24.7 94 97 A V T 3 S+ 0 0 132 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.402 119.8 9.3 -61.8 126.4 7.9 -4.9 24.4 95 98 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.387 86.8 145.2 86.9 -1.9 10.4 -5.9 27.0 96 99 A D < - 0 0 66 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.1 -0.562 33.7-163.5 -71.4 128.6 10.2 -2.6 29.0 97 100 A A S S+ 0 0 99 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.794 74.9 54.9 -80.7 -31.9 10.6 -3.3 32.7 98 101 A V + 0 0 21 2,-0.0 2,-0.5 -79,-0.0 -1,-0.2 -0.927 65.4 179.1-115.0 117.4 9.2 -0.1 34.1 99 102 A N + 0 0 76 -2,-0.6 -8,-0.2 -8,-0.2 -10,-0.0 -0.957 9.9 160.1-126.6 112.1 5.7 0.8 32.9 100 103 A I B -I 90 0B 6 -10,-2.3 -10,-2.7 -2,-0.5 -48,-0.2 -0.874 19.3-163.0-137.2 100.4 4.0 4.1 34.1 101 104 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.211 33.9 -88.6 -76.3 167.5 1.1 5.4 32.0 102 105 A I S S- 0 0 1 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.263 76.9 -55.4 -64.1 164.3 -0.3 9.0 32.2 103 106 A P >> - 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.179 45.1-134.7 -55.6 139.1 -3.0 9.3 34.8 104 107 A Q H 3> S+ 0 0 148 1,-0.3 4,-2.3 -48,-0.2 5,-0.1 0.873 105.1 57.6 -58.2 -42.1 -5.9 6.9 34.4 105 108 A W H 3> S+ 0 0 21 -49,-0.4 4,-0.6 2,-0.2 -1,-0.3 0.793 106.6 49.8 -63.4 -28.6 -8.5 9.6 35.0 106 109 A V H X> S+ 0 0 0 -3,-0.8 3,-1.2 2,-0.2 4,-0.6 0.936 110.6 49.0 -69.6 -46.6 -7.0 11.5 32.0 107 110 A R H >< S+ 0 0 90 -4,-2.1 3,-1.4 1,-0.3 4,-0.4 0.834 99.1 68.4 -62.2 -29.6 -7.2 8.4 29.8 108 111 A D H >X S+ 0 0 92 -4,-2.3 3,-1.4 1,-0.3 4,-0.5 0.817 89.9 63.0 -60.6 -30.7 -10.8 7.9 30.9 109 112 A V H XX S+ 0 0 27 -3,-1.2 4,-1.9 -4,-0.6 3,-0.6 0.821 92.9 66.3 -59.9 -31.5 -11.7 11.1 29.0 110 113 A G H << S+ 0 0 10 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.653 84.0 72.0 -65.7 -17.2 -10.5 9.2 25.9 111 114 A T H <4 S+ 0 0 101 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.927 114.9 23.2 -64.5 -45.9 -13.4 6.7 26.1 112 115 A R H << S+ 0 0 204 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.684 138.4 35.5 -89.1 -23.4 -15.9 9.3 25.0 113 116 A D >< + 0 0 21 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.660 59.9 168.4-133.3 80.6 -13.2 11.5 23.2 114 117 A P G > + 0 0 44 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.658 68.6 80.0 -70.6 -10.7 -10.5 9.3 21.6 115 118 A D G 3 + 0 0 25 1,-0.3 92,-0.4 90,-0.1 4,-0.1 0.389 65.5 87.4 -80.7 8.3 -9.2 12.3 19.7 116 119 A I G < S+ 0 0 0 -3,-1.6 15,-2.3 -9,-0.1 2,-0.4 0.592 84.8 70.9 -71.3 -12.9 -7.3 13.4 22.8 117 120 A F E < S-J 130 0C 13 -3,-1.2 13,-0.1 13,-0.2 10,-0.1 -0.852 98.8-101.2-106.6 140.1 -4.5 11.2 21.5 118 121 A Y E - 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