==== 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 2XFF . 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) . 19248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 64.4 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 . 26 5.3 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 0 146 0, 0.0 3,-0.3 0, 0.0 398,-0.0 0.000 360.0 360.0 360.0 104.0 43.8 29.0 33.4 2 5 A V > + 0 0 33 1,-0.2 3,-2.0 399,-0.1 4,-0.3 0.293 360.0 113.8-104.2 10.3 41.5 26.4 32.0 3 6 A K G > + 0 0 126 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.808 69.6 64.0 -53.7 -38.6 38.5 26.8 34.3 4 7 A G G 3 S+ 0 0 30 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.591 93.9 65.4 -65.3 -9.8 36.2 28.1 31.5 5 8 A N G < S+ 0 0 0 -3,-2.0 -1,-0.3 398,-0.2 433,-0.2 0.586 72.8 119.1 -83.6 -16.8 36.6 24.7 29.8 6 9 A Y < - 0 0 6 -3,-1.8 2,-0.5 -4,-0.3 431,-0.2 -0.325 45.4-165.2 -57.6 128.7 34.8 22.7 32.5 7 10 A V - 0 0 0 429,-2.2 403,-0.1 426,-0.2 402,-0.1 -0.978 20.4-125.0-116.2 124.0 31.6 20.9 31.3 8 11 A Q E -a 410 0A 6 401,-0.6 403,-2.1 -2,-0.5 2,-0.5 -0.369 19.5-149.9 -66.2 146.9 29.2 19.6 34.0 9 12 A V E -a 411 0A 0 401,-0.2 34,-2.0 32,-0.2 35,-1.2 -0.981 14.5-178.1-121.6 125.7 28.3 16.0 34.0 10 13 A Y E -ab 412 44A 7 401,-3.0 403,-2.9 -2,-0.5 2,-0.4 -0.817 15.5-143.9-112.6 157.0 25.0 14.7 35.2 11 14 A V E -ab 413 45A 0 33,-1.6 35,-1.9 -2,-0.3 2,-0.3 -0.989 16.9-126.7-126.1 126.7 23.8 11.1 35.4 12 15 A M E - b 0 46A 5 401,-2.9 404,-3.1 -2,-0.4 403,-0.4 -0.549 27.6-129.0 -67.4 132.3 20.2 10.1 34.8 13 16 A L - 0 0 1 33,-3.0 35,-0.1 -2,-0.3 -1,-0.1 -0.256 39.8 -75.1 -72.9 164.5 18.7 8.0 37.6 14 17 A P > - 0 0 23 0, 0.0 3,-1.7 0, 0.0 34,-0.2 -0.236 37.4-119.0 -57.6 152.6 17.0 4.7 37.0 15 18 A L T 3 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.785 118.2 53.7 -62.8 -28.6 13.5 4.8 35.4 16 19 A D T 3 + 0 0 52 1,-0.2 -1,-0.3 10,-0.0 10,-0.1 -0.024 66.6 121.7 -88.4 21.0 12.4 3.0 38.7 17 20 A A S < S+ 0 0 7 -3,-1.7 9,-0.4 1,-0.1 2,-0.4 0.878 88.2 31.1 -56.1 -38.8 14.0 5.6 41.1 18 21 A V S S- 0 0 3 -3,-0.3 6,-0.2 -4,-0.2 -1,-0.1 -0.967 107.2-111.9-113.0 135.1 10.5 5.9 42.4 19 22 A S > - 0 0 16 4,-2.9 3,-2.2 -2,-0.4 4,-0.1 -0.152 23.9-106.4 -67.8 163.3 8.4 2.8 42.2 20 23 A V T 3 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.623 122.9 58.7 -63.0 -10.6 5.4 2.2 39.9 21 24 A N T 3 S- 0 0 116 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.148 121.0-108.3 -99.1 11.0 3.4 2.5 43.1 22 25 A N S < S+ 0 0 13 -3,-2.2 44,-0.4 1,-0.2 2,-0.3 0.883 79.0 127.4 57.2 45.2 4.7 6.1 43.8 23 26 A R - 0 0 71 43,-0.1 -4,-2.9 42,-0.1 2,-1.0 -0.956 63.2-129.2-126.1 145.6 6.8 4.9 46.8 24 27 A F + 0 0 38 -2,-0.3 3,-0.2 -6,-0.2 -6,-0.1 -0.812 48.2 148.2 -94.1 102.1 10.5 5.5 47.4 25 28 A E + 0 0 116 -2,-1.0 -1,-0.2 -8,-0.2 3,-0.1 0.367 55.2 61.2-122.1 4.1 11.7 1.9 48.1 26 29 A K > + 0 0 83 -9,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.002 60.4 127.4-123.7 33.6 15.3 1.7 46.7 27 30 A G H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.839 73.1 48.1 -57.0 -42.6 17.0 4.4 48.9 28 31 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 113.2 47.2 -71.8 -40.9 19.8 2.3 50.3 29 32 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 115.2 47.2 -63.4 -44.7 20.7 0.9 46.8 30 33 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.915 108.2 54.1 -64.7 -42.8 20.6 4.4 45.4 31 34 A R H X S+ 0 0 102 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.938 110.0 48.6 -55.5 -43.7 22.7 5.9 48.2 32 35 A A H X S+ 0 0 55 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.915 112.5 47.5 -64.5 -42.3 25.4 3.3 47.5 33 36 A Q H X S+ 0 0 11 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.898 108.7 54.5 -64.6 -40.1 25.4 4.0 43.8 34 37 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.830 99.6 61.5 -65.3 -32.5 25.5 7.8 44.4 35 38 A R H X S+ 0 0 171 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.907 104.7 49.3 -56.7 -41.1 28.6 7.2 46.6 36 39 A K H X S+ 0 0 63 -4,-1.2 4,-1.3 -3,-0.3 -2,-0.2 0.905 110.5 49.5 -67.3 -35.4 30.3 5.9 43.4 37 40 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 4,-0.5 0.908 111.6 48.1 -69.3 -38.6 29.1 8.9 41.4 38 41 A V H ><5S+ 0 0 71 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.914 107.3 56.0 -65.5 -39.3 30.5 11.3 44.1 39 42 A E H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.4 50.3 -59.1 -31.3 33.8 9.3 44.1 40 43 A A T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.560 117.7-113.6 -87.0 -8.1 33.9 10.0 40.3 41 44 A G T < 5 + 0 0 16 -3,-1.3 -3,-0.2 -4,-0.5 -32,-0.2 0.627 49.9 174.6 87.3 17.0 33.3 13.8 40.7 42 45 A V < - 0 0 0 -5,-2.0 -1,-0.2 1,-0.1 -32,-0.2 -0.220 28.6-144.6 -59.0 140.7 29.8 14.0 39.1 43 46 A D - 0 0 0 -34,-2.0 37,-2.0 1,-0.2 2,-0.3 0.867 64.0 -44.6 -76.1 -35.8 28.0 17.3 39.3 44 47 A G E -bc 10 80A 0 -35,-1.2 -33,-1.6 35,-0.2 2,-0.3 -0.965 51.8-101.5-174.5-175.0 24.5 16.0 39.7 45 48 A V E -bc 11 81A 0 35,-2.6 37,-2.3 -2,-0.3 2,-0.4 -0.838 20.6-142.1-126.2 165.1 21.7 13.6 38.7 46 49 A M E -bc 12 82A 0 -35,-1.9 -33,-3.0 -2,-0.3 2,-0.4 -0.965 18.7-173.8-129.1 146.2 18.6 13.9 36.6 47 50 A V E - c 0 83A 5 35,-2.2 37,-2.7 -2,-0.4 2,-0.4 -0.999 27.3-121.1-146.4 141.9 15.2 12.3 37.1 48 51 A D E - c 0 84A 15 -2,-0.4 2,-0.8 -34,-0.2 37,-0.1 -0.702 19.5-154.9 -73.3 126.1 11.9 11.8 35.5 49 52 A V E - c 0 85A 0 35,-2.3 37,-1.6 -2,-0.4 2,-0.4 -0.858 24.6-141.8-106.3 93.4 9.1 13.3 37.7 50 53 A W E >> - c 0 86A 8 -2,-0.8 4,-2.3 1,-0.1 3,-1.2 -0.389 16.2-157.7 -75.1 119.7 6.2 11.1 36.4 51 54 A W H 3> S+ 0 0 0 35,-2.5 4,-2.5 -2,-0.4 -1,-0.1 0.893 95.4 57.4 -53.7 -44.4 2.8 12.7 36.0 52 55 A G H 34 S+ 0 0 16 34,-0.4 -1,-0.3 36,-0.3 52,-0.2 0.683 110.2 43.8 -64.8 -23.6 1.2 9.3 36.2 53 56 A L H X4 S+ 0 0 14 -3,-1.2 3,-0.7 47,-0.1 -2,-0.2 0.901 119.9 37.8 -80.6 -50.2 2.7 8.7 39.7 54 57 A V H 3< S+ 0 0 1 -4,-2.3 9,-2.2 1,-0.2 3,-0.3 0.858 127.8 29.9 -78.6 -42.0 2.1 12.1 41.3 55 58 A E T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 6,-0.1 -0.084 85.2 116.9-108.6 35.1 -1.3 13.0 39.9 56 59 A G < + 0 0 31 -3,-0.7 49,-0.4 1,-0.2 48,-0.2 0.840 64.5 60.4 -71.2 -27.7 -2.6 9.4 39.6 57 60 A K S S- 0 0 191 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.891 118.4 -62.7 -68.6 -41.8 -5.5 9.7 42.2 58 61 A G S > S- 0 0 11 3,-0.2 3,-2.1 -3,-0.1 -1,-0.3 -0.954 81.5 -28.3 167.8 172.1 -7.5 12.3 40.6 59 62 A P T 3 S- 0 0 61 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 -0.254 126.2 -7.3 -56.3 126.3 -7.4 16.0 39.5 60 63 A K T 3 S+ 0 0 127 1,-0.2 2,-1.4 -5,-0.1 -5,-0.0 0.524 92.1 129.6 65.5 11.5 -5.1 18.0 41.7 61 64 A A < - 0 0 36 -3,-2.1 -4,-0.5 -6,-0.1 2,-0.2 -0.404 40.2-178.6 -89.7 62.8 -4.6 15.1 44.1 62 65 A Y - 0 0 48 -2,-1.4 2,-0.6 -7,-0.1 -7,-0.2 -0.385 16.3-166.1 -74.1 129.0 -0.8 15.5 44.0 63 66 A D + 0 0 75 -9,-2.2 3,-0.3 -2,-0.2 4,-0.2 -0.889 18.1 163.8-116.3 95.7 1.2 13.0 46.1 64 67 A W > + 0 0 11 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.337 40.7 109.2 -91.2 6.7 4.8 14.3 46.3 65 68 A S H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.876 80.2 41.8 -55.6 -50.2 5.9 12.0 49.2 66 69 A A H > S+ 0 0 0 -44,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.923 114.5 50.3 -67.1 -43.2 8.2 9.7 47.3 67 70 A Y H > S+ 0 0 2 -4,-0.2 4,-2.8 1,-0.2 5,-0.2 0.889 107.9 53.7 -63.7 -36.1 9.8 12.5 45.2 68 71 A K H X S+ 0 0 73 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.910 109.0 49.8 -66.0 -36.3 10.5 14.5 48.3 69 72 A Q H X S+ 0 0 98 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.930 112.7 47.2 -65.4 -44.1 12.3 11.5 49.9 70 73 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 111.7 49.9 -59.8 -47.3 14.4 11.0 46.7 71 74 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.882 108.4 52.6 -63.4 -40.0 15.3 14.7 46.5 72 75 A E H X S+ 0 0 88 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.904 108.6 51.1 -60.3 -41.4 16.4 14.7 50.2 73 76 A L H X S+ 0 0 15 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.934 110.8 48.2 -60.2 -45.4 18.7 11.8 49.5 74 77 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.8 0.933 111.5 50.1 -62.6 -41.3 20.2 13.5 46.5 75 78 A Q H ><5S+ 0 0 78 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.930 108.2 52.8 -61.3 -47.3 20.7 16.7 48.6 76 79 A K H 3<5S+ 0 0 152 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.622 103.7 58.1 -67.5 -14.3 22.4 14.7 51.4 77 80 A A T <<5S- 0 0 34 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.416 115.4-117.0 -87.8 -4.2 24.8 13.3 48.8 78 81 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.688 70.3 135.2 77.4 18.2 25.9 16.8 47.9 79 82 A L < - 0 0 6 -5,-1.8 -1,-0.2 1,-0.1 -35,-0.2 -0.734 52.8-126.5-102.9 145.3 24.6 16.5 44.3 80 83 A K E -c 44 0A 21 -37,-2.0 -35,-2.6 -2,-0.3 2,-0.4 -0.368 26.1-136.5 -79.5 169.8 22.7 18.9 42.2 81 84 A L E -cd 45 169A 0 87,-2.7 89,-2.4 -37,-0.2 90,-0.9 -0.997 14.7-162.7-139.1 128.7 19.4 17.8 40.5 82 85 A Q E -cd 46 171A 12 -37,-2.3 -35,-2.2 -2,-0.4 2,-0.5 -0.969 22.0-156.1-107.0 125.5 17.8 18.3 37.1 83 86 A A E -cd 47 172A 0 88,-2.4 90,-2.5 -2,-0.5 2,-0.5 -0.909 4.0-152.2-110.5 126.6 14.0 17.5 37.2 84 87 A I E -cd 48 173A 7 -37,-2.7 -35,-2.3 -2,-0.5 2,-1.2 -0.851 14.2-139.5 -96.2 127.2 12.0 16.5 34.2 85 88 A M E -cd 49 174A 0 88,-3.0 90,-1.8 -2,-0.5 2,-1.3 -0.754 28.7-160.3 -81.3 94.0 8.3 17.4 34.2 86 89 A S E +c 50 0A 0 -37,-1.6 -35,-2.5 -2,-1.2 -34,-0.4 -0.664 25.8 167.0 -94.3 86.6 7.4 14.0 32.7 87 90 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.2 2,-0.3 -0.128 56.1 74.4 -89.5 37.1 3.9 14.4 31.1 88 91 A H S S- 0 0 7 -2,-0.3 -36,-0.3 41,-0.1 2,-0.3 -0.894 87.8 -80.3-145.3 168.7 4.2 11.1 29.3 89 92 A Q - 0 0 27 39,-1.8 2,-0.5 -2,-0.3 90,-0.4 -0.524 33.2-141.1 -76.4 137.2 4.1 7.3 29.6 90 93 A C B -I 100 0B 4 10,-2.8 10,-2.2 -2,-0.3 2,-0.0 -0.831 67.6 -24.4 -91.4 129.3 7.2 5.5 30.8 91 94 A G + 0 0 19 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.316 58.3 149.7 72.2-146.7 7.7 2.2 29.0 92 95 A G + 0 0 33 1,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.460 46.6 114.6 82.9 2.6 4.9 0.3 27.3 93 96 A N S > S- 0 0 47 1,-0.1 3,-2.3 96,-0.0 -1,-0.4 -0.689 84.1 -74.1 -96.5 159.9 7.2 -1.2 24.6 94 97 A V T 3 S+ 0 0 133 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 -0.331 119.4 8.7 -53.7 126.0 7.9 -4.9 24.3 95 98 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.397 85.8 147.6 81.1 0.6 10.3 -5.9 27.1 96 99 A D < - 0 0 65 -3,-2.3 -1,-0.3 1,-0.1 -4,-0.1 -0.537 34.0-160.2 -66.7 128.9 10.2 -2.6 29.0 97 100 A A S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.797 75.2 54.3 -81.9 -31.3 10.6 -3.3 32.7 98 101 A V + 0 0 22 2,-0.0 2,-0.5 -79,-0.0 -1,-0.2 -0.940 65.2 179.8-114.3 118.0 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 -0.968 10.1 160.3-126.0 110.9 5.7 0.8 32.9 100 103 A I B -I 90 0B 6 -10,-2.2 -10,-2.8 -2,-0.5 -48,-0.2 -0.878 19.6-162.3-135.0 99.9 4.0 4.1 34.2 101 104 A P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.257 33.3 -89.4 -73.3 168.9 1.1 5.4 32.1 102 105 A I S S- 0 0 1 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.220 77.2 -54.6 -65.5 165.4 -0.3 9.0 32.3 103 106 A P >> - 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.191 44.9-134.8 -54.5 137.7 -3.0 9.3 34.9 104 107 A Q H 3> S+ 0 0 148 1,-0.2 4,-2.3 -48,-0.2 -47,-0.1 0.872 105.3 57.2 -57.1 -41.9 -5.9 6.9 34.5 105 108 A W H 3> S+ 0 0 22 -49,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.799 106.9 50.5 -63.7 -26.7 -8.5 9.6 35.1 106 109 A V H X> S+ 0 0 0 -3,-0.8 3,-1.3 2,-0.2 4,-0.5 0.943 110.3 48.7 -71.3 -47.7 -7.0 11.5 32.1 107 110 A R H >< S+ 0 0 89 -4,-2.1 3,-1.5 1,-0.3 4,-0.4 0.823 98.5 69.0 -61.3 -31.1 -7.2 8.4 29.9 108 111 A D H >X S+ 0 0 91 -4,-2.3 3,-1.4 1,-0.3 4,-0.5 0.812 89.8 62.8 -57.0 -34.4 -10.8 7.9 31.0 109 112 A V H XX S+ 0 0 27 -3,-1.3 4,-1.8 -4,-0.5 3,-0.6 0.812 92.8 66.4 -56.9 -31.2 -11.7 11.1 29.0 110 113 A G H << S+ 0 0 11 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.653 84.3 72.0 -67.5 -16.8 -10.5 9.1 25.9 111 114 A T H <4 S+ 0 0 115 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.927 114.9 23.0 -64.9 -45.4 -13.4 6.7 26.2 112 115 A R H << S+ 0 0 214 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.677 138.7 35.3 -90.8 -20.7 -15.9 9.3 25.0 113 116 A D >< + 0 0 21 -4,-1.8 3,-1.6 -5,-0.2 -1,-0.2 -0.663 59.9 169.0-135.2 79.8 -13.2 11.4 23.2 114 117 A P G > + 0 0 45 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.654 68.4 80.8 -69.3 -10.3 -10.5 9.2 21.6 115 118 A D G 3 + 0 0 25 1,-0.3 92,-0.4 90,-0.1 4,-0.1 0.394 65.0 87.3 -79.6 6.6 -9.2 12.3 19.8 116 119 A I G < S+ 0 0 0 -3,-1.6 15,-2.3 -9,-0.1 2,-0.3 0.568 85.1 70.9 -71.5 -11.6 -7.3 13.4 22.9 117 120 A F E < S-J 130 0C 12 -3,-1.2 13,-0.2 13,-0.2 10,-0.1 -0.857 98.7 -99.9-108.2 140.3 -4.5 11.1 21.6 118 121 A Y E - 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