==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 21-AUG-92 6TAA . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR H.J.SWIFT,L.BRADY,Z.S.DEREWENDA,E.J.DODSON,J.P.TURKENBURG, . 476 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.9 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 1 0 0 1 0 2 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 5 1 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 3 0 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 39 0, 0.0 225,-3.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -40.4 37.7 52.0 5.6 2 2 A T > - 0 0 74 223,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.259 360.0-138.4 -63.0 134.0 35.1 49.6 4.0 3 3 A P H >> S+ 0 0 37 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.960 112.3 50.3 -50.7 -56.8 33.8 46.2 5.2 4 4 A A H >4 S+ 0 0 60 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.857 113.2 48.8 -50.2 -37.3 33.9 45.0 1.6 5 5 A D H >4 S+ 0 0 49 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.767 102.6 57.3 -78.6 -26.3 37.5 46.4 1.5 6 6 A W H X< S+ 0 0 0 -4,-2.0 3,-1.3 -3,-0.8 -1,-0.2 0.557 86.2 86.3 -77.1 -12.0 38.7 44.8 4.7 7 7 A R T << S+ 0 0 45 -4,-1.0 -1,-0.2 -3,-0.6 316,-0.2 0.749 90.0 44.9 -55.4 -33.6 37.8 41.4 3.3 8 8 A S T < S+ 0 0 33 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.293 95.7 103.2 -97.1 7.3 41.1 41.0 1.5 9 9 A Q < - 0 0 14 -3,-1.3 2,-0.3 49,-0.0 48,-0.1 -0.485 51.4-158.2 -87.4 162.5 43.4 42.2 4.4 10 10 A S - 0 0 0 314,-0.2 49,-2.0 -2,-0.1 48,-1.7 -0.996 19.9-145.1-142.7 128.0 45.5 40.2 7.0 11 11 A I E -ab 59 326A 0 314,-2.3 316,-2.0 -2,-0.3 2,-0.5 -0.833 15.9-154.6-107.2 143.4 46.5 41.8 10.3 12 12 A Y E -ab 60 327A 0 47,-2.2 49,-1.9 -2,-0.4 2,-0.5 -0.981 23.2-154.2-107.7 112.3 49.5 41.8 12.7 13 13 A F E +ab 61 328A 1 314,-2.9 316,-2.7 -2,-0.5 2,-0.3 -0.919 20.7 173.6 -93.4 121.3 48.1 42.6 16.1 14 14 A L E -a 62 0A 0 47,-2.4 2,-0.6 -2,-0.5 49,-0.6 -0.941 36.4-127.5-129.9 153.7 50.7 44.2 18.5 15 15 A L >> - 0 0 3 -2,-0.3 3,-1.8 47,-0.2 4,-0.7 -0.886 26.6-142.1 -88.8 118.0 50.7 45.8 22.0 16 16 A T H >> S+ 0 0 0 -2,-0.6 3,-0.7 1,-0.3 4,-0.6 0.886 98.4 55.2 -51.4 -44.9 52.4 49.2 21.4 17 17 A D H 34 S+ 0 0 1 62,-0.4 23,-2.7 1,-0.2 -1,-0.3 0.766 116.7 35.2 -57.9 -32.3 54.2 49.1 24.6 18 18 A R H <4 S+ 0 0 3 -3,-1.8 329,-2.2 21,-0.2 330,-0.5 0.278 100.8 69.2-113.7 10.7 55.8 45.7 23.8 19 19 A F H << S- 0 0 0 -4,-0.7 2,-0.3 -3,-0.7 329,-0.3 0.923 107.2 -8.0 -92.8 -58.4 56.6 45.5 20.0 20 20 A A < - 0 0 0 -4,-0.6 21,-2.4 21,-0.2 24,-0.5 -0.969 57.7-144.2-155.1 130.3 59.4 48.0 19.3 21 21 A R B > -G 40 0B 54 4,-0.4 3,-1.0 -2,-0.3 19,-0.2 -0.397 29.1-115.5 -84.6 163.7 61.2 50.7 21.3 22 22 A T T 3 S+ 0 0 74 17,-0.6 -1,-0.1 1,-0.2 18,-0.1 0.867 115.8 54.7 -76.7 -26.5 62.4 54.0 19.8 23 23 A D T 3 S- 0 0 105 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.262 110.3-124.6 -86.9 14.8 66.1 53.2 20.5 24 24 A G < + 0 0 30 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.697 48.5 172.4 52.3 22.6 65.5 50.0 18.6 25 25 A S - 0 0 22 1,-0.1 -4,-0.4 2,-0.1 -1,-0.2 -0.309 26.5-173.7 -58.5 154.0 66.8 48.0 21.5 26 26 A T S S+ 0 0 62 -3,-0.1 -1,-0.1 323,-0.1 326,-0.1 0.152 83.4 43.2-124.3 9.5 66.5 44.3 21.4 27 27 A T + 0 0 110 2,-0.1 3,-0.1 324,-0.0 -2,-0.1 0.446 68.7 127.6-131.3 -12.6 67.7 43.7 24.9 28 28 A A S S- 0 0 25 1,-0.1 321,-0.1 2,-0.0 -7,-0.0 -0.191 70.5-104.7 -45.5 132.8 66.0 46.3 27.2 29 29 A T + 0 0 127 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.273 40.3 178.3 -62.0 146.8 64.5 44.2 30.0 30 30 A a - 0 0 13 -3,-0.1 2,-0.7 316,-0.1 316,-0.3 -0.654 7.0-170.1-145.5 88.3 60.8 43.7 29.9 31 31 A N > - 0 0 75 -2,-0.2 3,-0.9 1,-0.2 4,-0.5 -0.666 9.5-158.6 -85.8 126.7 59.6 41.6 32.8 32 32 A T G > S+ 0 0 30 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.862 87.9 63.0 -70.4 -33.6 56.0 40.6 32.4 33 33 A A G 3 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.758 99.0 58.8 -62.9 -27.6 55.4 39.8 36.0 34 34 A D G < S- 0 0 105 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.741 88.5-154.9 -74.0 -26.7 56.1 43.5 36.8 35 35 A Q < + 0 0 50 -3,-1.6 42,-2.8 -4,-0.5 2,-0.3 0.757 44.0 131.4 54.4 46.8 53.4 44.8 34.5 36 36 A K S S- 0 0 127 -5,-0.4 -1,-0.2 40,-0.2 -2,-0.1 -0.836 70.6 -74.5-115.1 162.9 55.0 48.3 33.9 37 37 A Y - 0 0 45 -2,-0.3 -1,-0.1 1,-0.2 -19,-0.1 -0.246 39.1-170.1 -56.2 128.8 55.6 50.2 30.7 38 38 A a - 0 0 16 -21,-0.2 -1,-0.2 -8,-0.1 -20,-0.1 0.509 48.3-103.0 -98.2 -14.2 58.5 48.5 29.0 39 39 A G + 0 0 28 1,-0.2 -17,-0.6 -18,-0.1 -21,-0.2 0.515 59.2 157.7 104.2 12.3 58.8 51.4 26.5 40 40 A G B -G 21 0B 1 -23,-2.7 -19,-0.3 -19,-0.2 2,-0.3 -0.398 19.6-174.9 -68.4 150.7 57.3 50.5 23.1 41 41 A T >> - 0 0 20 -21,-2.4 4,-1.3 58,-0.0 3,-0.6 -0.928 41.9-107.9-137.2 169.6 56.3 53.5 21.0 42 42 A W H 3> S+ 0 0 0 52,-2.2 4,-1.4 -2,-0.3 53,-0.1 0.633 118.2 57.2 -68.5 -10.1 54.6 54.4 17.7 43 43 A Q H 3> S+ 0 0 56 51,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.735 100.2 55.9 -89.0 -32.4 58.1 55.3 16.3 44 44 A G H <4 S+ 0 0 0 -3,-0.6 4,-0.4 -24,-0.5 -23,-0.2 0.870 108.0 50.2 -65.0 -39.5 59.5 51.9 17.0 45 45 A I H >< S+ 0 0 0 -4,-1.3 3,-2.9 -25,-0.3 -2,-0.2 0.971 106.7 51.0 -63.6 -57.5 56.7 50.5 14.9 46 46 A I H >< S+ 0 0 32 -4,-1.4 3,-1.5 1,-0.3 -2,-0.2 0.933 110.2 55.7 -46.5 -46.9 57.2 52.8 11.9 47 47 A D T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.623 109.1 43.1 -64.9 -14.9 60.9 51.6 12.2 48 48 A K T X> S+ 0 0 31 -3,-2.9 4,-1.2 -4,-0.4 3,-0.8 0.071 74.2 119.1-122.1 25.9 60.1 47.9 11.9 49 49 A L H <> S+ 0 0 2 -3,-1.5 4,-2.3 1,-0.3 5,-0.2 0.786 71.6 57.4 -59.8 -38.3 57.5 48.1 9.1 50 50 A D H 3> S+ 0 0 121 1,-0.2 4,-2.4 -4,-0.2 -1,-0.3 0.784 102.8 56.5 -61.5 -35.2 59.6 45.9 6.8 51 51 A Y H <4 S+ 0 0 14 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.923 113.6 38.1 -65.9 -40.7 59.5 43.1 9.5 52 52 A I H ><>S+ 0 0 0 -4,-1.2 3,-3.4 1,-0.2 5,-0.8 0.995 118.7 48.6 -69.1 -65.9 55.7 43.1 9.5 53 53 A Q H ><5S+ 0 0 66 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.679 101.7 61.7 -43.4 -40.2 55.3 43.6 5.8 54 54 A G T 3<5S+ 0 0 46 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.544 95.0 63.0 -73.6 -5.1 57.8 40.9 4.8 55 55 A M T < 5S- 0 0 0 -3,-3.4 311,-0.3 -4,-0.2 -1,-0.3 0.493 123.6-108.5 -87.1 -7.8 55.5 38.3 6.6 56 56 A G T < 5 + 0 0 19 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.2 0.534 65.8 155.8 97.6 12.4 53.0 39.4 3.9 57 57 A F < - 0 0 3 -5,-0.8 -1,-0.3 1,-0.1 -46,-0.2 -0.421 31.5-164.6 -70.1 153.6 50.7 41.3 6.3 58 58 A T + 0 0 27 -48,-1.7 55,-1.3 1,-0.2 2,-0.3 0.552 68.2 12.0-112.2 -8.6 48.5 44.0 4.8 59 59 A A E -ac 11 113A 0 -49,-2.0 -47,-2.2 53,-0.3 2,-0.3 -0.983 59.3-137.2-158.8 164.1 47.5 45.8 8.1 60 60 A I E -ac 12 114A 0 53,-1.6 55,-2.4 -2,-0.3 2,-0.4 -0.927 6.0-151.4-127.9 147.8 48.2 46.2 11.9 61 61 A W E -ac 13 115A 8 -49,-1.9 -47,-2.4 -2,-0.3 2,-0.3 -0.955 21.4-169.8-112.7 127.4 45.9 46.4 14.9 62 62 A I E -ac 14 116A 0 53,-1.2 55,-1.8 -2,-0.4 -47,-0.2 -0.935 26.9 -97.9-121.6 152.4 47.5 48.5 17.8 63 63 A T - 0 0 0 -49,-0.6 18,-0.2 -2,-0.3 54,-0.1 -0.038 63.4 -55.2 -72.0 165.4 46.2 48.8 21.4 64 64 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 54,-0.1 -0.011 41.3-157.6 -49.9 143.2 44.1 51.8 22.7 65 65 A V + 0 0 7 52,-0.4 26,-1.8 -3,-0.1 29,-0.1 0.507 50.5 112.7-101.1 -15.7 45.6 55.3 22.2 66 66 A T E S-H 90 0C 7 15,-0.2 2,-0.3 24,-0.2 24,-0.2 -0.126 78.9 -87.5 -66.7 155.0 43.7 57.4 24.9 67 67 A A E -H 86 0C 16 22,-1.6 18,-2.5 19,-1.3 19,-1.8 -0.651 50.5-148.2 -66.9 121.5 45.4 59.0 28.0 68 68 A Q E -H 84 0C 16 -2,-0.3 16,-0.2 16,-0.3 -1,-0.0 -0.327 30.1 -77.2 -89.9 159.8 45.4 56.4 30.8 69 69 A L - 0 0 3 14,-1.9 9,-0.4 1,-0.1 -1,-0.2 -0.382 48.6-136.3 -54.4 142.3 45.1 56.8 34.7 70 70 A P + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.662 65.9 95.6 -77.8 -24.0 48.8 57.9 35.6 71 71 A Q S S- 0 0 82 1,-0.1 2,-0.8 6,-0.1 7,-0.3 -0.345 77.4-119.1 -73.4 159.3 49.5 55.7 38.7 72 72 A T - 0 0 98 5,-0.1 5,-0.3 6,-0.1 2,-0.1 -0.904 44.6-158.0 -88.8 108.0 51.2 52.5 39.1 73 73 A T B > -J 76 0D 10 3,-2.8 3,-1.7 -2,-0.8 98,-0.1 -0.186 34.6 -94.1 -80.7 179.2 48.2 50.5 40.5 74 74 A A T 3 S+ 0 0 80 1,-0.3 3,-0.1 96,-0.2 -1,-0.1 0.790 131.4 48.4 -64.6 -23.0 48.4 47.3 42.5 75 75 A Y T 3 S- 0 0 99 1,-0.4 -1,-0.3 95,-0.1 -2,-0.1 -0.041 122.3-102.1-101.6 29.8 48.0 45.5 39.2 76 76 A G B < -J 73 0D 6 -3,-1.7 -3,-2.8 2,-0.1 -1,-0.4 -0.266 55.5 -32.6 88.5-172.5 50.7 47.5 37.4 77 77 A D - 0 0 12 -42,-2.8 2,-0.7 -5,-0.3 3,-0.4 -0.439 57.2-106.9 -81.8 163.9 50.8 50.4 34.9 78 78 A A > + 0 0 1 -9,-0.4 3,-1.1 -7,-0.3 5,-0.2 -0.198 69.4 138.5 -86.6 39.4 48.1 51.1 32.2 79 79 A Y T 3 + 0 0 3 -2,-0.7 -62,-0.4 -44,-0.3 -1,-0.2 0.765 65.0 58.1 -59.0 -25.6 50.7 49.9 29.6 80 80 A H T 3 S- 0 0 16 -3,-0.4 -1,-0.2 -64,-0.1 -64,-0.1 0.576 104.3-127.2 -82.3 -16.9 47.8 48.0 27.7 81 81 A G S < S+ 0 0 1 -3,-1.1 -15,-0.2 -18,-0.2 3,-0.2 0.545 75.6 115.9 83.6 17.2 45.7 51.1 27.1 82 82 A Y + 0 0 22 1,-0.2 2,-0.3 -18,-0.1 40,-0.1 0.370 61.0 65.0 -99.8 14.9 42.5 49.7 28.5 83 83 A W S S+ 0 0 29 -5,-0.2 -14,-1.9 -17,-0.1 -1,-0.2 -0.561 70.7 175.7-124.0 68.2 42.0 52.1 31.6 84 84 A Q E +H 68 0C 3 38,-0.3 40,-2.0 -2,-0.3 -16,-0.3 -0.336 22.1 170.2 -77.2 154.4 41.5 55.6 30.0 85 85 A Q E S+ 0 0 16 -18,-2.5 53,-2.7 1,-0.2 2,-0.4 0.691 75.4 36.4-124.6 -33.0 40.7 58.7 31.9 86 86 A D E > -Hi 67 138C 37 -19,-1.8 -19,-1.3 51,-0.3 3,-0.8 -0.905 55.9-179.5-125.6 96.7 41.0 61.4 29.2 87 87 A I E 3 S+ 0 0 6 51,-2.1 -1,-0.1 -2,-0.4 -22,-0.1 0.414 79.7 61.1 -80.3 1.5 39.9 60.6 25.7 88 88 A Y E 3 S+ 0 0 108 50,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.150 104.0 60.8-101.9 10.9 40.7 64.0 24.0 89 89 A S E < S- 0 0 56 -3,-0.8 -22,-1.6 49,-0.2 2,-0.2 -0.940 82.0-120.3-132.7 155.4 44.3 63.5 24.9 90 90 A L E -H 66 0C 32 -2,-0.3 2,-0.9 -24,-0.2 -24,-0.2 -0.591 29.1-101.8-100.0 159.2 46.9 60.8 24.0 91 91 A N >> - 0 0 5 -26,-1.8 3,-1.5 -2,-0.2 4,-0.6 -0.713 33.8-156.6 -74.8 106.3 49.0 58.3 26.1 92 92 A E T 34 S+ 0 0 165 -2,-0.9 3,-0.3 1,-0.3 -1,-0.1 0.620 81.5 77.4 -67.1 -19.4 52.2 60.2 26.0 93 93 A N T 34 S+ 0 0 72 1,-0.2 -1,-0.3 -52,-0.0 3,-0.1 0.730 96.6 45.8 -60.3 -29.4 54.2 57.1 26.7 94 94 A Y T <4 S- 0 0 0 -3,-1.5 -52,-2.2 1,-0.3 -51,-0.4 0.741 121.2 -95.7 -84.8 -21.5 53.8 55.9 23.0 95 95 A G < - 0 0 20 -4,-0.6 -1,-0.3 -3,-0.3 2,-0.3 -0.996 53.2 -40.4 146.5-146.4 54.7 59.3 21.4 96 96 A T >> - 0 0 64 -2,-0.3 4,-1.9 -3,-0.1 3,-0.8 -0.822 50.3-102.4-121.0 153.9 52.9 62.4 20.1 97 97 A A T 34 S+ 0 0 41 1,-0.3 -1,-0.0 -2,-0.3 -5,-0.0 0.687 127.1 55.0 -54.4 -15.0 49.8 63.2 18.0 98 98 A D T 3> S+ 0 0 101 2,-0.2 4,-2.1 1,-0.1 3,-0.3 0.921 105.9 48.5 -79.9 -42.7 52.4 63.7 15.3 99 99 A D H <> S+ 0 0 46 -3,-0.8 4,-3.1 1,-0.3 -2,-0.2 0.819 107.3 53.0 -59.3 -47.3 53.9 60.2 15.7 100 100 A L H X S+ 0 0 3 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.584 112.7 52.5 -61.2 -18.4 50.6 58.6 15.7 101 101 A K H > S+ 0 0 94 -5,-0.4 4,-0.9 -3,-0.3 -2,-0.3 0.912 104.8 48.8 -88.7 -47.6 50.5 60.7 12.4 102 102 A A H >X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 3,-1.6 0.957 109.9 54.3 -56.2 -50.9 53.6 59.5 10.9 103 103 A L H 3X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.3 5,-0.3 0.900 106.1 48.8 -51.1 -50.9 52.6 55.9 11.5 104 104 A S H 3X S+ 0 0 2 -4,-0.9 4,-1.1 1,-0.3 -1,-0.3 0.736 117.0 49.7 -54.0 -22.2 49.2 56.1 9.7 105 105 A S H <>S+ 0 0 0 -4,-3.0 5,-3.0 -5,-0.3 3,-1.9 0.959 111.5 46.4 -56.5 -57.8 51.4 52.5 6.6 108 108 A H H ><5S+ 0 0 68 -4,-1.1 3,-0.7 -5,-0.3 -1,-0.2 0.841 108.7 58.3 -58.3 -35.5 49.3 54.2 4.0 109 109 A E H 3<5S+ 0 0 176 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.495 108.9 44.1 -68.7 -20.8 52.4 54.9 2.0 110 110 A R T <<5S- 0 0 77 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.261 124.1 -97.8-109.5 2.8 53.2 51.1 1.8 111 111 A G T < 5S+ 0 0 58 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.664 81.2 134.0 81.0 30.1 49.7 50.0 1.0 112 112 A M < - 0 0 2 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.708 49.4-132.8-106.6 157.1 48.8 49.0 4.6 113 113 A Y E -c 59 0A 42 -55,-1.3 -53,-1.6 -2,-0.3 2,-0.5 -0.849 12.3-139.1-105.9 150.5 45.8 49.8 6.7 114 114 A L E -c 60 0A 0 -2,-0.3 87,-2.5 85,-0.2 88,-1.1 -0.928 17.8-173.2-109.0 124.1 45.9 51.1 10.2 115 115 A M E -cd 61 202A 0 -55,-2.4 -53,-1.2 -2,-0.5 2,-0.4 -0.932 7.2-160.6-110.9 139.1 43.3 49.6 12.7 116 116 A V E -cd 62 203A 4 86,-1.4 88,-1.8 -2,-0.4 2,-0.3 -0.985 15.4-129.6-125.4 138.9 43.1 51.2 16.3 117 117 A D E - d 0 204A 1 -55,-1.8 -52,-0.4 -2,-0.4 2,-0.4 -0.600 30.9-170.5 -80.2 139.4 41.5 49.4 19.3 118 118 A V E - d 0 205A 5 86,-2.7 88,-3.4 -2,-0.3 2,-0.5 -0.973 15.3-149.4-136.8 147.6 38.9 51.5 21.2 119 119 A V + 0 0 2 -2,-0.4 88,-0.1 86,-0.2 86,-0.0 -0.948 24.8 157.4-107.3 140.4 37.0 51.3 24.4 120 120 A A + 0 0 0 -2,-0.5 56,-0.2 86,-0.4 -1,-0.1 0.602 64.4 72.7-127.3 -18.6 33.5 52.7 25.1 121 121 A N S S- 0 0 1 85,-0.2 55,-1.6 1,-0.1 2,-0.3 0.801 103.0 -4.8 -67.5 -35.9 32.2 50.6 28.0 122 122 A H B -K 175 0E 5 53,-0.2 -38,-0.3 -40,-0.1 53,-0.2 -0.961 48.8-126.6-157.5 170.2 34.4 52.1 30.8 123 123 A M - 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0 0 47 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.813 45.4-176.1 62.2 33.2 56.8 30.8 18.9 335 335 A Y < - 0 0 34 -5,-2.2 -33,-0.8 1,-0.1 -32,-0.2 -0.289 14.4-161.2 -61.0 148.1 56.4 32.6 22.3 336 336 A A + 0 0 48 -34,-0.2 -1,-0.1 -35,-0.1 7,-0.1 -0.008 28.2 149.7-130.7 32.0 55.0 30.6 25.1 337 337 A G - 0 0 11 5,-0.1 -37,-2.0 1,-0.1 -34,-0.2 -0.243 34.1-143.5 -62.7 149.6 53.7 32.9 27.7 338 338 A G - 0 0 24 1,-0.3 -38,-0.3 -39,-0.2 5,-0.2 0.136 52.7 -19.8 -95.7-142.9 50.6 31.7 29.8 339 339 A N S > S- 0 0 101 3,-0.2 3,-2.8 1,-0.2 -1,-0.3 -0.087 99.8 -32.1 -62.6 160.7 47.8 33.8 31.0 340 340 A D T 3 S+ 0 0 73 1,-0.4 -1,-0.2 2,-0.2 -43,-0.1 -0.047 130.1 22.6 -46.6 131.7 48.0 37.5 31.5 341 341 A P T > S+ 0 0 31 0, 0.0 3,-1.3 0, 0.0 -1,-0.4 -0.949 120.6 58.3 -89.3 8.6 50.4 39.0 32.2 342 342 A A T < S+ 0 0 34 -3,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.712 99.3 62.2 -65.9 -26.7 52.7 36.3 30.9 343 343 A N T 3 S+ 0 0 0 -5,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.202 85.7 78.0 -87.8 22.7 51.2 36.5 27.4 344 344 A R < + 0 0 8 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.189 64.3 158.8-120.5 45.1 52.3 40.1 26.9 345 345 A E - 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