==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-09 3H3K . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS; . AUTHOR S.MORERA,K.ECKERT . 528 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 32.4 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+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 2 1 1 1 1 1 0 0 1 1 1 3 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 8 4 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 2 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 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 7 A K 0 0 206 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 143.3 -12.6 64.4 -10.7 2 8 A S - 0 0 54 69,-0.1 19,-0.4 19,-0.0 2,-0.4 -0.944 360.0 -96.1-148.1 171.6 -14.7 61.9 -8.7 3 9 A I - 0 0 12 -2,-0.3 2,-0.5 69,-0.2 17,-0.2 -0.749 31.4-148.2 -88.1 136.1 -14.8 59.6 -5.7 4 10 A F E +A 19 0A 11 15,-2.9 15,-3.2 -2,-0.4 2,-0.3 -0.939 38.0 135.0-109.0 127.6 -13.9 55.9 -6.3 5 11 A Y E -A 18 0A 20 -2,-0.5 2,-1.1 429,-0.3 13,-0.1 -0.911 64.0 -63.8-158.2 174.1 -15.7 53.5 -4.1 6 12 A N - 0 0 1 11,-0.5 70,-0.4 -2,-0.3 428,-0.2 -0.689 44.8-167.8 -74.4 103.6 -17.6 50.2 -3.8 7 13 A Q S S+ 0 0 10 426,-2.5 440,-0.3 -2,-1.1 -1,-0.2 0.554 82.6 51.7 -76.0 -11.4 -20.7 51.1 -5.9 8 14 A V S S- 0 0 21 1,-0.3 2,-0.3 425,-0.1 -1,-0.2 0.863 115.6-103.2 -87.8 -46.2 -22.7 48.0 -4.8 9 15 A G - 0 0 0 66,-0.1 2,-0.3 424,-0.1 -1,-0.3 -0.941 23.9 -86.7 154.3-172.6 -22.2 48.7 -1.1 10 16 A Y E -d 77 0B 0 66,-2.0 68,-2.5 -2,-0.3 2,-0.3 -0.953 34.0-113.9-133.5 150.9 -20.5 48.0 2.2 11 17 A L E > -d 78 0B 5 4,-0.3 3,-1.3 -2,-0.3 68,-0.2 -0.634 21.2-127.1 -84.9 141.2 -21.2 45.5 5.0 12 18 A I T 3 S+ 0 0 43 66,-0.8 -1,-0.1 -2,-0.3 67,-0.1 0.881 114.4 32.3 -46.7 -46.6 -22.2 46.8 8.5 13 19 A S T 3 S+ 0 0 77 66,-0.2 -1,-0.3 65,-0.2 2,-0.1 0.295 109.3 92.3 -99.7 8.2 -19.4 44.7 10.0 14 20 A G S < S- 0 0 13 -3,-1.3 2,-0.1 1,-0.1 -4,-0.0 -0.443 85.2 -82.1-100.2 171.8 -16.9 45.0 7.1 15 21 A D - 0 0 54 -2,-0.1 2,-0.4 42,-0.0 -4,-0.3 -0.459 40.4-158.5 -69.5 143.7 -14.1 47.3 6.1 16 22 A K + 0 0 0 -2,-0.1 39,-2.0 -6,-0.1 40,-0.6 -0.980 20.9 157.7-133.5 115.8 -15.2 50.6 4.4 17 23 A R E - B 0 54A 56 -2,-0.4 -11,-0.5 37,-0.2 2,-0.3 -0.985 17.7-170.7-140.1 146.2 -12.9 52.5 2.2 18 24 A F E -AB 5 53A 0 35,-1.8 35,-2.2 -2,-0.3 2,-0.3 -0.927 14.3-142.3-130.2 161.8 -13.1 55.1 -0.6 19 25 A W E +AB 4 52A 1 -15,-3.2 -15,-2.9 -2,-0.3 2,-0.3 -0.927 16.4 175.6-125.9 147.5 -10.4 56.5 -2.9 20 26 A I E - B 0 51A 4 31,-2.1 31,-3.0 -2,-0.3 2,-0.6 -0.989 34.0-117.9-144.0 148.6 -9.6 59.9 -4.5 21 27 A Q E + B 0 50A 70 -19,-0.4 2,-0.3 -2,-0.3 29,-0.2 -0.813 58.7 134.9 -84.2 121.2 -6.8 61.3 -6.6 22 28 A A - 0 0 17 27,-0.9 -2,-0.0 -2,-0.6 4,-0.0 -0.922 56.3-135.5-154.6 171.9 -5.2 64.1 -4.5 23 29 A H S S+ 0 0 159 -2,-0.3 27,-0.1 1,-0.2 -2,-0.0 0.279 86.9 21.9-122.9 11.6 -1.8 65.5 -3.4 24 30 A E S S- 0 0 110 20,-0.0 -1,-0.2 0, 0.0 19,-0.1 -0.973 93.2 -75.1-163.9 160.5 -2.6 66.0 0.3 25 31 A P - 0 0 59 0, 0.0 19,-0.1 0, 0.0 -2,-0.1 -0.320 46.5-172.2 -57.5 141.1 -4.9 64.9 3.1 26 32 A Q - 0 0 51 -4,-0.0 17,-2.5 43,-0.0 2,-0.1 -0.979 24.4-113.0-132.8 146.9 -8.5 66.3 3.0 27 33 A P E -E 42 0B 94 0, 0.0 42,-0.8 0, 0.0 2,-0.3 -0.410 35.4-172.7 -71.4 156.7 -11.3 66.1 5.5 28 34 A F E -EF 41 68B 9 13,-2.2 13,-1.9 40,-0.2 2,-0.3 -0.981 8.4-158.3-147.0 158.3 -14.4 64.1 4.6 29 35 A A E -EF 40 67B 9 38,-2.4 38,-2.7 -2,-0.3 2,-0.5 -0.988 12.0-145.7-138.5 145.4 -17.9 63.4 6.0 30 36 A L E -EF 39 66B 0 9,-2.6 8,-3.1 -2,-0.3 9,-1.5 -0.968 30.0-172.7-108.2 131.2 -20.6 60.8 5.7 31 37 A R E -EF 37 65B 86 34,-2.0 34,-3.3 -2,-0.5 6,-0.2 -0.936 28.0-112.8-130.0 143.6 -24.0 62.3 6.0 32 38 A T - 0 0 26 4,-2.2 3,-0.4 -2,-0.4 32,-0.1 -0.245 47.4-101.5 -58.3 159.3 -27.6 61.0 6.2 33 39 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.762 126.6 58.1 -65.0 -24.0 -29.6 61.9 3.0 34 40 A E S S- 0 0 165 2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.863 124.8-109.5 -67.1 -36.3 -31.3 64.9 4.9 35 41 A G + 0 0 32 -3,-0.4 2,-0.2 1,-0.3 3,-0.0 0.291 68.5 139.2 135.5 -7.5 -27.6 66.0 5.4 36 42 A Q - 0 0 157 -5,-0.1 -4,-2.2 1,-0.1 2,-0.3 -0.451 56.8-114.2 -71.7 132.5 -26.4 65.6 9.0 37 43 A A E +E 31 0B 53 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.508 34.7 175.4 -71.6 122.8 -22.9 64.3 9.3 38 44 A V E S+ 0 0 65 -8,-3.1 2,-0.3 -2,-0.3 -7,-0.2 0.596 70.3 15.4 -98.9 -18.1 -22.8 60.9 11.0 39 45 A F E -E 30 0B 52 -9,-1.5 -9,-2.6 19,-0.1 2,-0.3 -0.986 62.7-175.3-157.5 145.3 -19.0 60.3 10.6 40 46 A A E +E 29 0B 76 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.997 15.7 139.6-146.7 145.1 -16.0 62.4 9.8 41 47 A G E -E 28 0B 26 -13,-1.9 -13,-2.2 -2,-0.3 2,-0.4 -0.923 42.1 -89.9-163.6-171.4 -12.3 61.8 9.2 42 48 A M E -E 27 0B 107 -2,-0.3 12,-0.3 -15,-0.2 10,-0.1 -0.931 32.5-122.9-119.6 139.7 -9.1 62.6 7.2 43 49 A T - 0 0 5 -17,-2.5 10,-0.2 -2,-0.4 -24,-0.1 -0.305 26.3-156.5 -73.4 162.0 -7.8 61.0 4.0 44 50 A K E -C 52 0A 89 8,-2.1 8,-2.6 -19,-0.1 2,-0.1 -0.990 20.9 -98.5-145.5 148.1 -4.4 59.5 3.9 45 51 A P E +C 51 0A 85 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.384 33.3 168.8 -73.0 142.6 -1.8 58.7 1.1 46 52 A V E - 0 0 44 4,-2.4 5,-0.2 1,-0.3 339,-0.1 0.303 52.3 -92.3-132.7 5.4 -1.5 55.2 -0.4 47 53 A G E > S+C 50 0A 37 3,-0.8 3,-1.4 1,-0.2 2,-0.4 -0.241 94.1 58.1 103.0 173.5 0.8 55.7 -3.4 48 54 A G T 3 S- 0 0 80 1,-0.2 -1,-0.2 -2,-0.1 334,-0.0 -0.642 128.4 -52.2 57.2-128.3 0.6 56.4 -7.1 49 55 A N T 3 S+ 0 0 89 -2,-0.4 -27,-0.9 -3,-0.1 2,-0.4 -0.352 107.6 125.3-123.9 54.3 -1.4 59.6 -6.7 50 56 A W E < -BC 21 47A 17 -3,-1.4 -4,-2.4 -29,-0.2 -3,-0.8 -0.880 38.7-169.9-118.7 140.4 -4.1 58.2 -4.5 51 57 A Y E -BC 20 45A 30 -31,-3.0 -31,-2.1 -2,-0.4 2,-0.3 -0.885 13.7-150.9-116.6 156.5 -5.5 59.0 -1.1 52 58 A V E -BC 19 44A 0 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.4 -0.955 5.9-154.1-127.8 149.6 -8.0 56.8 0.9 53 59 A G E -B 18 0A 0 -35,-2.2 -35,-1.8 -2,-0.3 2,-0.6 -0.995 11.4-154.8-122.6 125.2 -10.7 57.5 3.4 54 60 A D E +B 17 0A 44 -2,-0.4 -37,-0.2 -12,-0.3 3,-0.1 -0.880 24.2 162.9-103.4 119.3 -11.6 54.8 5.9 55 61 A F > + 0 0 0 -39,-2.0 3,-1.9 -2,-0.6 -38,-0.2 -0.048 29.0 131.2-122.9 34.1 -15.1 54.9 7.4 56 62 A T T 3 + 0 0 14 -40,-0.6 -1,-0.1 1,-0.3 -39,-0.1 0.835 63.9 65.8 -52.5 -41.4 -15.2 51.3 8.8 57 63 A A T 3 S+ 0 0 73 -3,-0.1 2,-0.8 -41,-0.1 -1,-0.3 0.497 74.4 99.0 -69.4 -6.2 -16.4 52.4 12.3 58 64 A L < + 0 0 8 -3,-1.9 -3,-0.1 1,-0.1 -19,-0.1 -0.785 45.7 165.3 -77.3 113.2 -19.8 53.6 10.8 59 65 A R + 0 0 115 -2,-0.8 -1,-0.1 2,-0.1 -47,-0.1 0.371 33.6 105.7-114.5 0.4 -22.0 50.7 11.6 60 66 A V S S- 0 0 87 1,-0.0 17,-0.1 18,-0.0 -2,-0.0 -0.744 70.1-123.7 -90.3 125.4 -25.5 52.0 11.1 61 67 A P + 0 0 65 0, 0.0 2,-0.2 0, 0.0 17,-0.2 -0.295 58.0 91.9 -67.9 149.7 -27.2 50.7 7.9 62 68 A G E S- G 0 77B 31 15,-2.4 15,-2.3 2,-0.0 2,-0.6 -0.838 76.7 -69.6 154.4 172.9 -28.5 53.2 5.3 63 69 A T E - G 0 76B 65 -2,-0.2 2,-0.3 13,-0.2 13,-0.2 -0.874 55.7-173.2 -93.7 118.4 -27.8 55.2 2.2 64 70 A Y E - G 0 75B 12 11,-3.4 11,-2.5 -2,-0.6 2,-0.7 -0.779 26.0-126.5-114.3 155.6 -25.3 57.9 3.0 65 71 A T E -FG 31 74B 17 -34,-3.3 -34,-2.0 -2,-0.3 2,-0.5 -0.912 22.4-156.7-102.5 112.4 -23.8 60.9 1.1 66 72 A L E -FG 30 73B 0 7,-3.1 7,-2.8 -2,-0.7 2,-0.4 -0.792 13.7-173.1 -85.3 125.0 -20.0 60.8 1.2 67 73 A T E +FG 29 72B 18 -38,-2.7 -38,-2.4 -2,-0.5 2,-0.3 -0.992 13.5 162.9-125.1 133.8 -18.6 64.3 0.7 68 74 A V E > -FG 28 71B 3 3,-1.8 3,-2.9 -2,-0.4 -40,-0.2 -0.982 68.4 -29.1-146.0 135.4 -14.9 65.1 0.2 69 75 A G T 3 S- 0 0 58 -42,-0.8 -43,-0.0 -2,-0.3 0, 0.0 -0.355 126.5 -34.5 52.9-124.7 -13.5 68.4 -1.2 70 76 A T T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 -2,-0.0 2,-0.2 0.211 118.9 103.3-106.9 14.2 -16.3 69.5 -3.5 71 77 A L E < - G 0 68B 45 -3,-2.9 -3,-1.8 -69,-0.1 2,-0.3 -0.653 49.7-165.6 -96.5 151.8 -17.2 65.9 -4.6 72 78 A E E - G 0 67B 142 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.998 6.0-179.4-134.4 141.7 -20.2 63.8 -3.4 73 79 A A E - G 0 66B 10 -7,-2.8 -7,-3.1 -2,-0.3 2,-0.6 -0.966 25.7-127.4-135.4 153.0 -20.9 60.1 -3.7 74 80 A R E - G 0 65B 135 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.909 31.3-179.0-104.6 117.4 -23.8 57.9 -2.6 75 81 A V E - G 0 64B 1 -11,-2.5 -11,-3.4 -2,-0.6 2,-0.4 -0.929 14.1-149.2-120.6 137.7 -22.7 54.9 -0.5 76 82 A V E - G 0 63B 45 -2,-0.4 -66,-2.0 -70,-0.4 2,-0.4 -0.891 5.7-166.2-108.6 137.4 -24.9 52.2 1.0 77 83 A I E +dG 10 62B 2 -15,-2.3 -15,-2.4 -2,-0.4 2,-0.3 -0.990 23.3 161.8-117.4 130.9 -24.1 50.3 4.2 78 84 A H E > -d 11 0B 72 -68,-2.5 3,-1.2 -2,-0.4 -66,-0.8 -0.997 51.0-115.8-155.9 145.8 -26.2 47.1 4.7 79 85 A R T 3 S+ 0 0 133 -2,-0.3 -66,-0.2 1,-0.3 449,-0.1 0.839 119.4 12.8 -43.8 -49.8 -26.3 43.9 6.7 80 86 A R T > S+ 0 0 86 1,-0.1 3,-1.8 -69,-0.1 4,-0.3 -0.536 77.8 166.6-132.6 68.2 -26.0 41.8 3.6 81 87 A A T < S+ 0 0 15 -3,-1.2 4,-0.3 1,-0.3 3,-0.3 0.730 74.6 48.1 -55.0 -30.6 -24.9 44.4 1.0 82 88 A Y T 3> S+ 0 0 0 1,-0.2 4,-2.4 -4,-0.1 -1,-0.3 0.239 78.4 102.2-101.5 14.3 -23.9 41.8 -1.7 83 89 A R H <> S+ 0 0 58 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.925 84.1 45.3 -65.4 -47.6 -26.9 39.5 -1.6 84 90 A D H > S+ 0 0 100 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.911 115.2 47.0 -59.9 -46.7 -28.5 40.9 -4.8 85 91 A V H > S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.881 111.2 50.8 -69.3 -38.2 -25.2 40.8 -6.7 86 92 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.921 110.8 49.7 -61.2 -44.7 -24.3 37.3 -5.6 87 93 A E H X S+ 0 0 47 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.924 112.2 47.7 -59.3 -45.8 -27.8 36.1 -6.6 88 94 A A H X S+ 0 0 12 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.887 110.6 52.3 -60.8 -41.1 -27.4 37.8 -10.0 89 95 A M H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.849 113.0 43.8 -66.9 -35.5 -23.9 36.2 -10.4 90 96 A L H >X S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.866 109.3 56.8 -75.3 -37.5 -25.3 32.8 -9.7 91 97 A R H 3X S+ 0 0 41 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.781 90.8 74.3 -64.9 -26.0 -28.3 33.3 -12.0 92 98 A F H 3X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.891 90.3 58.0 -49.5 -42.8 -25.9 34.1 -14.9 93 99 A F H X4 S+ 0 0 0 -3,-0.9 3,-0.5 -4,-0.5 -1,-0.2 0.921 107.4 45.3 -58.3 -45.2 -25.1 30.3 -15.0 94 100 A D H >< S+ 0 0 0 -4,-0.7 3,-1.7 -3,-0.2 -1,-0.2 0.889 107.9 57.8 -65.1 -40.6 -28.8 29.6 -15.6 95 101 A Y H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 105.8 52.6 -54.6 -27.7 -29.0 32.4 -18.2 96 102 A Q T << S+ 0 0 2 -4,-1.3 40,-2.7 -3,-0.5 -1,-0.3 0.444 80.6 133.9 -88.5 -2.7 -26.2 30.5 -20.0 97 103 A L B < -H 135 0C 1 -3,-1.7 2,-0.4 38,-0.2 3,-0.2 -0.209 43.4-150.7 -55.6 137.3 -28.1 27.2 -20.1 98 104 A C S S+ 0 0 1 36,-2.4 35,-0.3 1,-0.2 18,-0.1 -0.899 70.5 14.4-110.2 137.6 -28.0 25.4 -23.5 99 105 A G S S+ 0 0 23 -2,-0.4 2,-0.3 16,-0.2 15,-0.2 0.700 102.4 99.6 78.0 21.5 -30.7 23.1 -24.8 100 106 A V S S- 0 0 38 -3,-0.2 2,-0.3 13,-0.2 15,-0.2 -0.997 77.2-108.0-139.7 142.5 -33.4 24.2 -22.3 101 107 A V - 0 0 95 -2,-0.3 12,-0.2 13,-0.1 10,-0.1 -0.547 25.4-158.2 -66.4 124.5 -36.4 26.5 -22.3 102 108 A L B -I 112 0D 3 10,-2.9 10,-1.4 -2,-0.3 2,-0.1 -0.943 19.6-144.9-100.9 110.0 -35.7 29.7 -20.3 103 109 A P >> - 0 0 40 0, 0.0 4,-3.4 0, 0.0 3,-1.0 -0.381 15.7-119.9 -78.5 156.5 -39.2 31.0 -19.5 104 110 A E H 3> S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 6,-0.1 0.790 110.3 63.0 -62.8 -32.8 -40.0 34.7 -19.3 105 111 A D H 34 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.752 120.1 26.1 -68.6 -21.4 -41.1 34.5 -15.6 106 112 A E H <4 S+ 0 0 13 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.789 134.5 31.7 -98.5 -42.9 -37.6 33.4 -14.8 107 113 A A H >< S- 0 0 0 -4,-3.4 3,-2.0 1,-0.2 -3,-0.2 0.321 81.6-166.3-107.0 4.1 -35.5 35.0 -17.6 108 114 A G G >< S+ 0 0 22 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 -0.106 72.8 0.5 46.9-132.5 -37.4 38.2 -18.4 109 115 A P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -5,-0.1 0.680 133.7 57.3 -56.0 -23.1 -36.3 39.8 -21.7 110 116 A W G < S+ 0 0 40 -3,-2.0 -2,-0.2 -6,-0.1 -8,-0.1 0.345 75.0 132.2 -98.0 6.7 -33.7 37.1 -22.4 111 117 A A < + 0 0 32 -3,-1.8 2,-0.3 -4,-0.2 -7,-0.1 -0.204 30.4 163.4 -54.6 145.3 -36.2 34.2 -22.2 112 118 A H B -I 102 0D 22 -10,-1.4 -10,-2.9 -12,-0.1 3,-0.1 -0.990 37.2 -98.8-161.3 162.8 -35.8 31.7 -25.1 113 119 A G - 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