==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-06 2J7D . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,A.VASELLA,G.J.DAVIES . 879 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 65 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 8 0 2 2 0 4 1 1 1 1 2 2 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 6 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 4 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 . 2 2 0 0 0 0 0 0 2 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 3 A V 0 0 143 0, 0.0 2,-0.6 0, 0.0 438,-0.2 0.000 360.0 360.0 360.0 149.6 -26.0 24.3 19.9 2 4 A K E -A 438 0A 79 436,-2.4 436,-2.1 2,-0.0 2,-0.3 -0.861 360.0-175.0-114.1 95.1 -22.2 23.8 20.7 3 5 A K E -A 437 0A 135 -2,-0.6 434,-0.2 434,-0.2 433,-0.1 -0.722 14.8-138.5 -92.4 139.4 -20.4 27.1 20.0 4 6 A F - 0 0 10 432,-3.1 3,-0.1 -2,-0.3 4,-0.0 -0.428 37.7 -76.3 -89.5 163.6 -16.6 27.4 20.2 5 7 A P > - 0 0 55 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.169 60.1 -86.4 -54.7 155.3 -14.6 30.3 21.8 6 8 A E T 3 S+ 0 0 194 1,-0.2 430,-0.0 -3,-0.1 -3,-0.0 -0.440 116.1 18.1 -60.7 132.6 -14.3 33.6 19.8 7 9 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.495 83.6 161.4 80.2 5.2 -11.3 33.4 17.4 8 10 A F < - 0 0 6 -3,-1.6 2,-0.9 1,-0.1 -1,-0.2 -0.333 40.9-121.6 -56.1 133.7 -11.0 29.6 17.6 9 11 A L E -b 388 0B 28 378,-2.4 380,-2.1 -2,-0.1 2,-0.5 -0.718 24.1-167.6 -94.1 101.9 -9.0 28.4 14.6 10 12 A W E +b 389 0B 0 -2,-0.9 63,-1.7 378,-0.2 62,-1.2 -0.760 26.3 163.7 -81.9 123.4 -10.8 25.9 12.3 11 13 A G E -bc 390 73B 0 378,-3.0 380,-2.2 -2,-0.5 2,-0.3 -0.765 36.9-138.4-131.9 175.3 -8.3 24.3 9.9 12 14 A V E -bc 391 74B 0 61,-1.3 63,-2.9 378,-0.3 2,-0.4 -0.946 25.8-144.4-129.9 158.5 -7.4 21.5 7.4 13 15 A A E +bc 392 75B 0 378,-2.5 381,-1.0 -2,-0.3 380,-0.6 -0.945 21.7 163.3-132.4 139.6 -4.0 19.8 7.3 14 16 A T - 0 0 1 61,-2.7 2,-0.3 -2,-0.4 383,-0.0 -0.785 24.2-135.4-134.8-179.7 -1.7 18.3 4.6 15 17 A A > - 0 0 0 -2,-0.2 4,-1.3 61,-0.2 3,-0.5 -0.981 23.5-119.5-143.0 144.5 2.0 17.2 4.3 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 0.872 108.7 43.1 -50.4 -55.7 4.4 18.0 1.4 17 19 A Y H 34 S+ 0 0 10 102,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.793 111.4 57.2 -66.6 -29.6 5.2 14.5 0.2 18 20 A Q H 34 S+ 0 0 0 -3,-0.5 380,-2.2 1,-0.1 -1,-0.2 0.790 124.0 15.5 -72.4 -29.0 1.6 13.3 0.5 19 21 A I H << S+ 0 0 3 -4,-1.3 36,-2.3 -3,-0.6 34,-0.7 0.710 109.9 69.9-116.3 -28.5 0.1 16.0 -1.9 20 22 A E < - 0 0 6 -4,-2.6 36,-2.1 -5,-0.3 37,-0.3 0.888 59.6-174.9 -69.4 -44.8 2.8 17.7 -3.9 21 23 A G + 0 0 2 -4,-0.4 30,-0.3 -5,-0.3 29,-0.2 -0.276 56.6 85.1 60.7-168.8 4.2 15.3 -6.5 22 24 A S > + 0 0 35 28,-2.7 3,-1.6 1,-0.1 28,-0.1 0.884 52.0 171.4 46.3 51.0 7.1 16.6 -8.6 23 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.701 75.6 40.3 -66.1 -16.2 9.6 15.5 -5.8 24 26 A L T > S+ 0 0 89 26,-0.2 3,-0.6 3,-0.1 -2,-0.1 0.263 88.5 124.8-116.3 10.1 12.6 16.3 -8.1 25 27 A A G X S+ 0 0 29 -3,-1.6 3,-1.7 1,-0.2 -4,-0.0 -0.353 71.3 7.7 -70.6 148.6 11.4 19.5 -9.7 26 28 A D G 3 S- 0 0 78 1,-0.3 -1,-0.2 -2,-0.1 68,-0.2 0.817 133.7 -49.4 53.9 42.8 13.3 22.8 -9.7 27 29 A G G < S+ 0 0 45 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.464 88.2 158.5 83.1 1.6 16.5 21.5 -8.1 28 30 A A < - 0 0 13 -3,-1.7 54,-0.3 1,-0.1 -1,-0.2 -0.259 38.1-126.1 -54.9 140.8 15.0 19.6 -5.2 29 31 A G - 0 0 15 52,-2.4 57,-0.1 1,-0.1 -1,-0.1 -0.548 34.0 -93.0 -79.5 154.5 17.1 16.8 -3.6 30 32 A M - 0 0 75 -2,-0.2 94,-2.3 55,-0.1 95,-0.5 -0.350 40.9-146.9 -57.2 148.2 15.7 13.3 -3.2 31 33 A S B > -K 123 0C 5 92,-0.3 4,-1.8 93,-0.1 3,-0.3 -0.738 27.8-105.4-109.0 168.9 14.0 12.6 0.1 32 34 A I H > S+ 0 0 3 90,-2.5 4,-2.1 -2,-0.3 5,-0.2 0.703 121.4 57.6 -64.8 -21.8 14.0 9.3 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.833 103.7 52.6 -79.2 -29.4 10.3 8.9 1.0 34 36 A H H > S+ 0 0 22 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.961 116.0 38.8 -61.0 -52.7 11.3 9.1 -2.7 35 37 A T H < S+ 0 0 33 -4,-1.8 -2,-0.2 2,-0.2 4,-0.2 0.877 117.4 50.6 -71.6 -36.4 13.9 6.4 -2.3 36 38 A F H >< S+ 0 0 11 -4,-2.1 3,-1.1 1,-0.2 6,-0.3 0.928 112.9 44.4 -63.5 -49.7 11.7 4.3 0.1 37 39 A S H 3< S+ 0 0 5 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.771 109.4 57.2 -71.1 -23.1 8.7 4.3 -2.2 38 40 A H T 3< S+ 0 0 88 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.449 88.5 91.4 -84.8 3.4 10.8 3.6 -5.3 39 41 A T S X S- 0 0 69 -3,-1.1 3,-1.5 -4,-0.2 4,-0.3 -0.885 89.1-114.1 -97.9 119.2 12.1 0.5 -3.6 40 42 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.203 95.6 23.6 -55.3 137.5 9.8 -2.5 -4.5 41 43 A G T 3 S+ 0 0 80 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.200 97.3 93.3 95.6 -13.0 7.8 -4.1 -1.7 42 44 A N S < S+ 0 0 54 -3,-1.5 2,-0.4 -6,-0.3 -5,-0.1 0.828 84.9 37.5 -84.5 -31.3 7.7 -1.0 0.5 43 45 A V S > S- 0 0 10 -4,-0.3 3,-2.2 -6,-0.2 -2,-0.3 -0.976 92.8 -95.8-130.4 135.3 4.4 0.6 -0.6 44 46 A K G > S- 0 0 40 357,-2.3 3,-1.9 -2,-0.4 360,-0.2 -0.150 106.8 -0.4 -48.8 131.4 1.1 -0.9 -1.6 45 47 A N G 3 S- 0 0 118 1,-0.3 -1,-0.3 358,-0.1 357,-0.0 0.578 119.4 -78.4 63.0 14.7 0.7 -1.3 -5.3 46 48 A G G < S+ 0 0 57 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.730 81.4 170.2 65.9 21.3 4.1 0.2 -5.9 47 49 A D < - 0 0 33 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.2 -0.309 8.8-178.1 -64.4 144.0 2.6 3.6 -5.3 48 50 A T - 0 0 23 -10,-0.1 4,-0.5 4,-0.0 3,-0.4 -0.867 40.3-111.9-133.2 173.6 4.9 6.7 -5.0 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 -16,-0.2 4,-0.1 0.204 80.2 113.7 -87.2 17.1 4.7 10.4 -4.4 50 52 A D S S- 0 0 59 -29,-0.2 -28,-2.7 -28,-0.1 -1,-0.2 0.866 99.9 -0.6 -55.7 -42.3 5.9 11.2 -7.9 51 53 A V S > S+ 0 0 86 -3,-0.4 3,-2.7 -30,-0.3 5,-0.2 0.741 84.1 152.7-115.0 -50.3 2.5 12.8 -8.9 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.272 85.1 -21.3 53.1-127.3 0.3 12.5 -5.8 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.245 82.8-124.8 -89.5 11.9 -2.3 15.3 -5.9 54 56 A D X> + 0 0 22 -3,-2.7 4,-2.1 1,-0.1 3,-1.6 0.799 59.3 151.7 40.5 35.9 -0.1 17.4 -8.3 55 57 A H H 3> + 0 0 3 -36,-2.3 4,-1.1 1,-0.3 -35,-0.2 0.757 59.0 74.6 -62.8 -23.2 -0.4 20.2 -5.6 56 58 A Y H 34 S+ 0 0 16 -36,-2.1 -1,-0.3 -37,-0.3 -35,-0.1 0.837 113.9 22.5 -57.4 -33.7 3.0 21.3 -6.8 57 59 A N H <4 S+ 0 0 106 -3,-1.6 3,-0.3 -37,-0.3 -2,-0.2 0.680 129.1 46.9 -99.3 -27.3 1.2 22.7 -9.9 58 60 A R H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 3,-0.4 0.195 70.8 118.7-105.7 14.2 -2.3 23.0 -8.5 59 61 A W H X S+ 0 0 38 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.808 74.3 52.7 -51.9 -39.3 -1.6 24.8 -5.2 60 62 A K H > S+ 0 0 116 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.909 108.1 50.7 -69.5 -43.5 -3.6 27.9 -6.1 61 63 A E H > S+ 0 0 72 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.902 111.0 49.4 -54.2 -46.9 -6.7 25.9 -6.9 62 64 A D H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.879 111.2 47.6 -65.9 -40.9 -6.5 24.0 -3.6 63 65 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.898 108.2 55.9 -64.0 -43.6 -6.1 27.2 -1.5 64 66 A E H X S+ 0 0 73 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.870 106.5 52.0 -55.0 -36.3 -9.1 28.7 -3.5 65 67 A I H X S+ 0 0 23 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.929 109.6 47.8 -63.4 -47.5 -10.9 25.5 -2.2 66 68 A I H X>S+ 0 0 0 -4,-1.9 5,-1.6 2,-0.2 4,-0.5 0.961 115.4 45.8 -54.4 -56.0 -9.8 26.3 1.4 67 69 A E H ><5S+ 0 0 84 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.926 112.1 49.8 -50.1 -57.0 -10.9 30.0 0.9 68 70 A K H 3<5S+ 0 0 192 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.3 52.6 -56.7 -35.6 -14.3 29.0 -0.7 69 71 A L H 3<5S- 0 0 11 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.601 110.5-127.3 -72.7 -12.9 -14.9 26.6 2.2 70 72 A G T <<5 + 0 0 39 -3,-1.9 -3,-0.2 -4,-0.5 2,-0.2 0.640 49.1 163.5 71.9 14.1 -14.3 29.5 4.6 71 73 A V < - 0 0 3 -5,-1.6 -1,-0.2 -6,-0.2 -60,-0.2 -0.462 28.5-152.8 -66.6 134.8 -11.7 27.4 6.5 72 74 A K + 0 0 88 -62,-1.2 40,-2.9 -2,-0.2 2,-0.3 0.652 67.4 35.0 -94.1 -20.1 -9.6 29.8 8.6 73 75 A A E -cd 11 112B 0 -63,-1.7 -61,-1.3 38,-0.3 2,-0.5 -0.993 59.2-156.5-137.6 146.4 -6.2 28.0 9.0 74 76 A Y E -cd 12 113B 1 38,-2.3 40,-2.8 -2,-0.3 2,-0.6 -0.981 5.9-160.0-125.1 118.2 -4.1 25.8 6.7 75 77 A R E +cd 13 114B 0 -63,-2.9 -61,-2.7 -2,-0.5 2,-0.3 -0.893 27.7 153.3 -96.7 119.3 -1.6 23.4 8.2 76 78 A F E - d 0 115B 6 38,-2.0 40,-2.9 -2,-0.6 2,-0.3 -0.924 32.4-127.7-139.0 161.0 1.0 22.3 5.6 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.787 13.7-127.9-114.6 158.9 4.6 21.1 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.9 -2,-0.3 41,-0.4 -0.870 22.4-124.0-103.4 132.7 7.7 22.1 3.9 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.4 1,-0.2 4,-1.2 -0.707 17.2-153.5 -76.0 105.0 9.9 19.6 2.0 80 82 A W H >> S+ 0 0 0 -2,-0.9 4,-3.1 41,-0.3 3,-0.8 0.891 92.6 53.0 -45.5 -50.6 13.3 19.9 3.6 81 83 A P H 34 S+ 0 0 1 0, 0.0 -52,-2.4 0, 0.0 -1,-0.2 0.682 102.2 58.4 -70.6 -12.9 15.1 18.7 0.4 82 84 A R H <4 S+ 0 0 6 -3,-1.4 13,-0.4 -54,-0.3 14,-0.2 0.805 116.3 37.1 -71.0 -32.2 13.3 21.4 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.2 9,-3.0 -3,-0.8 13,-0.2 0.920 136.1 17.9 -83.7 -51.9 14.9 24.0 0.5 84 86 A L S >< S- 0 0 0 -4,-3.1 3,-2.4 7,-0.2 -1,-0.3 -0.886 70.2-165.8-125.4 92.6 18.3 22.4 1.1 85 87 A P T 3 S+ 0 0 5 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.807 92.6 36.2 -50.9 -37.1 18.9 19.8 -1.6 86 88 A E T 3 S- 0 0 108 2,-0.3 2,-0.9 4,-0.3 5,-0.1 0.177 116.7-111.2 -96.3 12.5 21.8 18.2 0.3 87 89 A G S < S+ 0 0 0 -3,-2.4 2,-0.3 -7,-0.2 57,-0.1 -0.200 95.1 33.5 86.6 -46.9 20.2 18.7 3.7 88 90 A T S S+ 0 0 32 -2,-0.9 2,-0.7 55,-0.1 -2,-0.3 -0.854 107.0 23.4-128.6 170.9 22.7 21.4 4.8 89 91 A G S S+ 0 0 49 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.644 97.2 63.4 83.0-111.9 24.7 24.1 3.0 90 92 A R - 0 0 132 -2,-0.7 2,-0.5 1,-0.1 -4,-0.3 -0.157 65.3-150.6 -59.7 136.2 23.2 25.1 -0.3 91 93 A V - 0 0 58 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.938 9.4-140.2-108.5 129.7 19.8 26.8 -0.3 92 94 A N >> - 0 0 15 -9,-3.0 4,-1.7 -2,-0.5 3,-1.1 -0.779 7.4-162.5 -94.1 103.2 17.5 26.4 -3.3 93 95 A Q H 3> S+ 0 0 103 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.837 90.4 58.2 -59.1 -33.2 15.7 29.7 -4.1 94 96 A K H 3> S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.787 103.9 52.5 -65.4 -30.4 13.0 27.8 -6.3 95 97 A G H <> S+ 0 0 1 -3,-1.1 4,-1.4 -13,-0.4 -2,-0.2 0.931 111.9 45.5 -66.4 -48.3 12.1 25.7 -3.2 96 98 A L H X S+ 0 0 2 -4,-1.7 4,-2.9 -14,-0.2 -2,-0.2 0.878 109.3 56.0 -59.1 -43.2 11.6 28.9 -1.2 97 99 A D H X S+ 0 0 60 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.944 102.7 56.1 -55.8 -52.9 9.6 30.5 -4.1 98 100 A F H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.879 114.7 36.9 -43.1 -55.0 7.2 27.6 -4.1 99 101 A Y H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.855 111.8 60.2 -72.9 -37.8 6.3 28.1 -0.4 100 102 A N H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.908 105.6 48.7 -50.3 -48.3 6.5 31.9 -0.6 101 103 A R H X S+ 0 0 106 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.887 113.1 47.4 -59.2 -42.0 3.7 31.9 -3.2 102 104 A I H X S+ 0 0 1 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.934 113.8 47.8 -65.0 -46.0 1.6 29.6 -1.0 103 105 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.929 113.3 45.4 -62.0 -48.9 2.2 31.7 2.1 104 106 A D H X S+ 0 0 72 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.862 112.5 52.3 -65.4 -37.9 1.4 35.1 0.5 105 107 A T H X S+ 0 0 16 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.929 109.5 48.8 -62.6 -48.9 -1.7 33.7 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 3,-0.3 0.932 113.8 46.0 -54.2 -53.0 -3.0 32.4 2.2 107 109 A L H ><5S+ 0 0 67 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.915 109.2 54.5 -59.2 -48.2 -2.4 35.7 3.9 108 110 A E H 3<5S+ 0 0 144 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.9 45.7 -52.4 -36.3 -4.0 37.7 1.1 109 111 A K T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.274 119.2-109.9 -92.1 9.2 -7.1 35.5 1.5 110 112 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.705 71.0 140.8 67.9 22.1 -7.1 35.8 5.3 111 113 A I < - 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