==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-09 3KWX . COMPND 2 MOLECULE: ALPHA-AMYLASE A TYPE-1/2; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR K.S.SIDDIQUI,S.J.HARROP,A.POLJAK,D.DE FRANCISCI,G.GUERRIERO, . 476 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 4 1 2 0 1 0 0 0 2 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 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 PARALLEL BRIDGES PER LADDER . 4 2 3 1 2 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 . 1 2 1 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 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 1 A A 0 0 28 0, 0.0 225,-2.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 151.2 -29.0 17.5 14.8 2 2 A T > - 0 0 67 223,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.300 360.0-109.0 -82.6 161.6 -26.4 20.3 14.6 3 3 A P H > S+ 0 0 36 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.931 125.8 50.7 -47.7 -49.3 -26.8 24.0 13.9 4 4 A A H 4 S+ 0 0 61 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.930 108.4 50.9 -55.4 -48.1 -25.1 23.1 10.6 5 5 A D H 4 S+ 0 0 79 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.804 110.8 52.1 -57.4 -30.0 -27.5 20.3 10.0 6 6 A W H >< S+ 0 0 0 -4,-1.8 3,-2.1 -3,-0.4 -1,-0.2 0.738 84.8 80.3 -86.7 -25.3 -30.4 22.8 10.7 7 7 A R T 3< S+ 0 0 44 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.1 0.813 94.3 50.8 -46.9 -36.7 -29.5 25.6 8.3 8 8 A S T 3 S+ 0 0 36 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.549 93.8 102.0 -85.0 -5.9 -31.0 23.7 5.3 9 9 A Q < - 0 0 16 -3,-2.1 2,-0.4 -4,-0.1 48,-0.1 -0.300 53.7-157.3 -79.5 156.9 -34.3 23.0 7.1 10 10 A S - 0 0 0 314,-0.2 48,-2.0 -2,-0.0 49,-1.3 -0.985 19.5-140.3-134.4 133.6 -37.7 24.7 6.8 11 11 A I E -ab 59 326A 0 314,-3.4 316,-2.7 -2,-0.4 2,-0.7 -0.751 15.8-161.7-107.9 128.5 -40.2 24.5 9.6 12 12 A Y E -ab 60 327A 0 47,-2.5 49,-2.1 -2,-0.4 2,-0.5 -0.927 23.6-156.7 -95.5 115.3 -43.9 24.0 9.8 13 13 A F E +ab 61 328A 1 314,-3.2 316,-3.4 -2,-0.7 2,-0.3 -0.830 19.2 170.5 -99.6 130.4 -44.9 25.2 13.3 14 14 A L E -a 62 0A 0 47,-2.6 49,-0.7 -2,-0.5 2,-0.6 -0.947 38.3-118.8-138.1 155.3 -48.1 23.8 14.7 15 15 A L >> - 0 0 4 -2,-0.3 3,-2.2 47,-0.2 4,-1.4 -0.884 24.9-144.7 -92.5 117.8 -50.1 23.6 17.9 16 16 A T H 3> S+ 0 0 0 -2,-0.6 4,-0.6 1,-0.3 3,-0.4 0.879 99.3 49.3 -54.2 -41.4 -50.4 20.0 18.9 17 17 A D H 34 S+ 0 0 1 62,-0.5 23,-2.0 1,-0.2 -1,-0.3 0.685 120.0 37.6 -67.2 -16.4 -53.9 20.5 20.3 18 18 A R H <4 S+ 0 0 2 -3,-2.2 329,-2.6 21,-0.1 330,-0.5 0.468 101.2 67.7-121.9 -1.6 -55.0 22.3 17.2 19 19 A F H < S- 0 0 0 -4,-1.4 2,-0.3 -3,-0.4 329,-0.2 0.941 107.8 -10.2 -88.6 -51.8 -53.4 20.7 14.1 20 20 A A < - 0 0 2 -4,-0.6 21,-2.6 21,-0.2 24,-0.3 -0.910 56.0-141.2-158.9 122.7 -54.9 17.2 13.7 21 21 A R B > -G 40 0B 65 4,-0.4 3,-1.6 -2,-0.3 19,-0.2 -0.458 29.7-116.4 -78.6 155.2 -57.1 14.9 15.8 22 22 A T T 3 S+ 0 0 78 17,-0.6 -1,-0.1 1,-0.3 18,-0.1 0.891 117.1 56.5 -55.3 -41.7 -56.5 11.1 16.0 23 23 A D T 3 S- 0 0 99 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.498 106.5-130.4 -73.8 -2.1 -59.9 10.6 14.4 24 24 A G < + 0 0 42 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.592 45.1 169.3 66.9 10.8 -58.9 12.7 11.4 25 25 A S - 0 0 23 1,-0.1 -4,-0.4 2,-0.1 -1,-0.2 -0.179 30.4-168.2 -55.1 146.2 -62.1 14.8 11.7 26 26 A T S S+ 0 0 64 323,-0.1 -1,-0.1 -6,-0.1 326,-0.1 0.136 88.4 47.7-116.2 15.0 -62.4 18.0 9.6 27 27 A T S S+ 0 0 112 2,-0.1 3,-0.1 323,-0.0 322,-0.1 0.476 71.0 130.9-131.6 -14.0 -65.6 19.1 11.5 28 28 A A - 0 0 17 1,-0.1 321,-0.1 320,-0.0 320,-0.0 -0.279 67.3-103.1 -54.9 121.3 -64.7 18.6 15.2 29 29 A T + 0 0 120 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.040 44.9 168.6 -49.3 138.1 -65.6 21.8 17.1 30 30 A a - 0 0 16 -3,-0.1 2,-0.8 316,-0.1 316,-0.3 -0.593 8.1-178.4-154.3 88.5 -63.0 24.2 18.1 31 31 A N > - 0 0 84 1,-0.2 3,-1.9 -2,-0.1 4,-0.5 -0.815 17.2-154.7 -84.8 109.0 -64.2 27.6 19.3 32 32 A T G > S+ 0 0 25 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.817 90.1 63.5 -59.2 -32.0 -60.9 29.4 20.0 33 33 A A G 3 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 309,-0.1 0.755 94.1 62.1 -62.3 -26.1 -62.6 31.7 22.5 34 34 A D G < S- 0 0 87 -3,-1.9 -1,-0.3 307,-0.1 43,-0.2 0.648 88.8-153.8 -75.5 -17.9 -63.4 28.6 24.7 35 35 A Q < + 0 0 49 -3,-1.3 42,-2.8 -4,-0.5 44,-0.3 0.815 43.5 139.1 47.4 41.6 -59.7 28.0 25.2 36 36 A K - 0 0 95 -5,-0.4 2,-0.3 40,-0.2 -1,-0.1 -0.583 67.6 -82.6-104.6 169.2 -60.3 24.3 25.8 37 37 A Y - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 -19,-0.1 -0.613 41.0-168.1 -65.8 130.1 -58.5 21.2 24.6 38 38 A a - 0 0 14 -2,-0.3 -1,-0.1 -21,-0.3 -20,-0.1 0.570 45.8 -98.1-104.4 -12.9 -59.9 20.6 21.1 39 39 A G + 0 0 26 1,-0.2 -17,-0.6 -19,-0.1 -21,-0.1 0.411 63.3 153.7 120.4 -2.1 -58.4 17.2 20.6 40 40 A G B -G 21 0B 0 -23,-2.0 -19,-0.3 -19,-0.2 2,-0.3 -0.279 20.2-176.4 -66.0 145.6 -55.2 17.4 18.5 41 41 A T > - 0 0 14 -21,-2.6 4,-1.6 1,-0.1 -21,-0.2 -0.899 41.8-113.0-140.2 166.1 -52.7 14.6 19.0 42 42 A W H > S+ 0 0 0 52,-2.2 4,-2.0 -2,-0.3 53,-0.1 0.846 120.0 52.5 -66.4 -34.1 -49.2 13.4 18.0 43 43 A Q H > S+ 0 0 57 51,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.888 104.4 56.2 -70.8 -38.1 -50.8 10.5 16.2 44 44 A G H > S+ 0 0 1 -24,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.889 105.9 51.6 -55.7 -41.0 -53.0 13.0 14.3 45 45 A I H >< S+ 0 0 0 -4,-1.6 3,-2.0 -25,-0.3 4,-0.3 0.955 105.4 55.0 -61.2 -51.6 -49.9 14.8 13.2 46 46 A I H >< S+ 0 0 27 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.855 105.8 52.7 -46.5 -43.0 -48.4 11.5 11.9 47 47 A D H 3< S+ 0 0 100 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 111.7 46.6 -73.4 -12.4 -51.5 10.9 9.8 48 48 A K T XX S+ 0 0 64 -3,-2.0 4,-1.6 -4,-0.5 3,-0.5 0.247 74.7 107.5-114.9 12.6 -51.2 14.4 8.2 49 49 A L H <> S+ 0 0 1 -3,-1.0 4,-3.1 -4,-0.3 5,-0.3 0.765 75.0 61.0 -63.3 -25.1 -47.5 14.4 7.3 50 50 A D H 3> S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 104.5 49.7 -66.1 -39.0 -48.3 14.0 3.6 51 51 A Y H <4 S+ 0 0 7 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.897 116.3 41.7 -64.1 -40.8 -50.1 17.3 3.8 52 52 A I H ><>S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 5,-1.1 0.940 116.0 45.5 -72.6 -50.6 -47.1 18.9 5.5 53 53 A Q H ><5S+ 0 0 67 -4,-3.1 3,-2.0 1,-0.3 -1,-0.2 0.791 101.4 70.3 -66.7 -25.4 -44.3 17.4 3.5 54 54 A G T 3<5S+ 0 0 41 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.528 93.7 55.6 -69.1 -6.7 -46.3 18.2 0.3 55 55 A M T < 5S- 0 0 0 -3,-1.7 311,-0.3 2,-0.1 -1,-0.3 0.367 124.5-105.9-100.6 -0.7 -45.6 21.9 1.0 56 56 A G T < 5 + 0 0 18 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.640 66.5 152.3 85.0 18.1 -41.9 21.1 1.0 57 57 A F < - 0 0 2 -5,-1.1 -1,-0.2 1,-0.1 -46,-0.2 -0.507 30.8-165.2 -77.8 151.4 -41.2 21.4 4.7 58 58 A T + 0 0 24 -48,-2.0 55,-2.3 1,-0.2 2,-0.3 0.356 68.8 19.6-115.7 0.8 -38.4 19.4 6.2 59 59 A A E -ac 11 113A 0 -49,-1.3 -47,-2.5 53,-0.3 2,-0.4 -0.991 61.2-139.6-162.1 158.0 -39.3 19.7 9.9 60 60 A I E -ac 12 114A 0 53,-1.8 55,-2.8 -2,-0.3 2,-0.5 -0.957 7.2-149.2-124.3 152.8 -42.0 20.5 12.3 61 61 A W E -ac 13 115A 6 -49,-2.1 -47,-2.6 -2,-0.4 2,-0.3 -0.988 21.6-168.9-115.1 121.9 -42.0 22.5 15.5 62 62 A I E -ac 14 116A 0 53,-2.4 55,-2.4 -2,-0.5 142,-0.2 -0.843 25.8-101.4-112.9 150.7 -44.6 21.3 18.1 63 63 A T - 0 0 0 -49,-0.7 18,-0.1 -2,-0.3 -1,-0.1 -0.159 63.4 -59.2 -65.5 161.7 -45.7 22.9 21.3 64 64 A P - 0 0 1 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.031 40.3-156.8 -49.6 148.0 -44.4 21.7 24.7 65 65 A V + 0 0 3 52,-0.4 26,-2.4 -3,-0.1 29,-0.1 0.497 51.4 114.8-104.9 -6.6 -44.9 18.0 25.7 66 66 A T E S-H 90 0C 4 24,-0.2 24,-0.3 15,-0.2 21,-0.2 -0.292 78.1 -91.0 -72.7 152.5 -44.7 18.2 29.5 67 67 A A E -H 86 0C 18 22,-2.6 18,-2.5 19,-1.2 19,-1.4 -0.366 50.7-148.4 -64.3 140.7 -47.7 17.4 31.7 68 68 A Q E -H 84 0C 19 16,-0.3 16,-0.2 17,-0.2 -1,-0.1 -0.546 29.1 -71.7-109.4 166.3 -49.7 20.5 32.5 69 69 A L - 0 0 3 14,-2.3 9,-0.4 -2,-0.2 -1,-0.2 -0.357 46.2-143.8 -48.8 138.6 -51.8 21.9 35.3 70 70 A P + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.665 61.8 103.9 -88.1 -21.4 -55.0 19.8 35.1 71 71 A Q S S- 0 0 75 1,-0.1 2,-0.9 6,-0.1 7,-0.3 -0.209 72.8-127.4 -66.3 151.5 -57.5 22.5 36.0 72 72 A T - 0 0 86 5,-0.1 5,-0.2 6,-0.0 -1,-0.1 -0.897 44.6-161.1 -87.5 104.1 -59.9 24.2 33.6 73 73 A T B > -J 76 0D 10 3,-2.1 3,-2.1 -2,-0.9 98,-0.1 -0.183 35.7 -96.2 -82.8 176.7 -58.9 27.7 34.7 74 74 A A T 3 S+ 0 0 84 1,-0.3 3,-0.1 96,-0.2 -1,-0.1 0.625 132.0 49.3 -64.4 -13.5 -60.7 31.0 34.2 75 75 A Y T 3 S- 0 0 89 1,-0.4 -1,-0.3 95,-0.1 2,-0.1 0.031 121.2-113.3-109.2 19.7 -58.4 31.3 31.1 76 76 A G B < -J 73 0D 5 -3,-2.1 -3,-2.1 2,-0.1 -1,-0.4 -0.360 53.1 -25.4 86.3-162.4 -59.3 27.8 29.9 77 77 A D - 0 0 18 -42,-2.8 2,-1.2 -5,-0.2 3,-0.4 -0.413 58.7-106.9 -88.1 163.7 -57.2 24.7 29.6 78 78 A A > + 0 0 1 -9,-0.4 3,-1.1 -7,-0.3 5,-0.2 -0.213 68.1 139.6 -79.7 46.2 -53.5 24.3 29.2 79 79 A Y T 3 + 0 0 2 -2,-1.2 -62,-0.5 -44,-0.3 -1,-0.2 0.754 65.1 56.4 -66.4 -25.4 -54.0 23.3 25.5 80 80 A H T 3 S- 0 0 14 -3,-0.4 -1,-0.3 -64,-0.1 -64,-0.2 0.642 105.0-126.4 -83.1 -19.4 -51.0 25.3 24.4 81 81 A G S < S+ 0 0 0 -3,-1.1 -15,-0.2 -18,-0.1 3,-0.2 0.472 76.4 113.4 92.1 4.3 -48.5 23.5 26.7 82 82 A Y + 0 0 24 1,-0.2 2,-0.2 36,-0.1 -3,-0.1 0.304 62.2 70.8 -95.9 11.9 -47.0 26.6 28.4 83 83 A W S S+ 0 0 28 -5,-0.2 -14,-2.3 -17,-0.1 -1,-0.2 -0.518 70.4 175.9-123.8 61.9 -48.3 25.8 31.9 84 84 A Q E +H 68 0C 3 38,-0.3 40,-2.8 -16,-0.2 -16,-0.3 -0.257 20.3 166.3 -76.4 155.5 -46.3 22.8 33.0 85 85 A Q E S+ 0 0 19 -18,-2.5 53,-2.6 38,-0.2 2,-0.5 0.558 73.5 33.8-131.6 -34.2 -46.4 21.1 36.4 86 86 A D E > -Hi 67 138C 32 -19,-1.4 -19,-1.2 51,-0.2 3,-1.2 -0.908 59.4-174.3-133.8 101.3 -44.7 17.7 36.1 87 87 A I E 3 S+ 0 0 5 51,-2.2 -1,-0.1 -2,-0.5 -22,-0.1 0.597 80.9 61.3 -77.0 -11.4 -41.8 17.7 33.6 88 88 A Y E 3 S+ 0 0 119 50,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.358 100.2 65.6 -98.9 6.5 -41.1 14.0 33.8 89 89 A S E < S- 0 0 54 -3,-1.2 -22,-2.6 -22,-0.1 2,-0.2 -0.945 80.0-125.5-122.8 149.0 -44.5 13.2 32.5 90 90 A L E -H 66 0C 28 -2,-0.3 2,-0.7 -24,-0.3 -24,-0.2 -0.521 35.2 -96.5 -85.5 156.6 -46.1 13.8 29.1 91 91 A N > - 0 0 4 -26,-2.4 3,-1.7 -2,-0.2 4,-0.3 -0.671 33.0-151.0 -70.4 110.9 -49.3 15.7 28.5 92 92 A E G > S+ 0 0 174 -2,-0.7 3,-1.2 1,-0.3 -1,-0.2 0.723 85.6 75.9 -62.8 -23.3 -51.8 12.8 28.1 93 93 A N G 3 S+ 0 0 77 1,-0.2 -1,-0.3 -52,-0.0 3,-0.1 0.778 96.9 46.7 -56.9 -27.5 -54.1 14.8 25.8 94 94 A Y G < S- 0 0 0 -3,-1.7 -52,-2.2 1,-0.4 -51,-0.6 0.511 121.3 -98.6 -96.8 -5.3 -51.6 14.3 23.0 95 95 A G < - 0 0 17 -3,-1.2 -1,-0.4 -4,-0.3 2,-0.2 -0.860 52.4 -42.8 123.4-159.1 -51.1 10.6 23.5 96 96 A T > - 0 0 77 -2,-0.3 4,-2.1 -3,-0.1 3,-0.4 -0.568 53.8 -98.6-108.5 169.2 -48.5 8.4 25.1 97 97 A A H > S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.862 126.6 56.2 -52.9 -35.4 -44.7 8.3 25.2 98 98 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.894 104.4 52.6 -65.8 -38.6 -45.0 5.7 22.5 99 99 A D H > S+ 0 0 41 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.902 108.3 49.8 -60.6 -44.7 -47.0 8.1 20.3 100 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 112.6 46.7 -62.0 -47.3 -44.4 10.8 20.7 101 101 A K H X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.848 109.6 55.8 -62.2 -32.4 -41.6 8.4 19.7 102 102 A A H X S+ 0 0 30 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.912 106.7 49.1 -65.7 -40.9 -43.8 7.3 16.8 103 103 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 111.9 50.2 -63.1 -44.8 -44.1 10.9 15.6 104 104 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 113.4 43.3 -57.1 -52.1 -40.3 11.2 15.8 105 105 A S H X S+ 0 0 63 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.928 112.5 53.5 -65.5 -43.0 -39.6 8.0 13.9 106 106 A A H < S+ 0 0 21 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.870 110.5 47.2 -57.3 -39.5 -42.3 8.8 11.3 107 107 A L H ><>S+ 0 0 0 -4,-2.3 5,-3.2 -5,-0.2 3,-1.2 0.929 114.6 47.1 -66.2 -43.5 -40.6 12.2 10.7 108 108 A H H ><5S+ 0 0 66 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.852 103.2 61.2 -66.9 -36.0 -37.2 10.5 10.5 109 109 A E T 3<5S+ 0 0 169 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.582 108.9 45.3 -69.3 -7.5 -38.5 7.8 8.1 110 110 A R T < 5S- 0 0 78 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.252 122.1-106.0-112.2 6.4 -39.3 10.7 5.7 111 111 A G T < 5S+ 0 0 64 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.739 79.5 131.9 73.4 23.2 -36.0 12.5 6.2 112 112 A M < - 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