==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-09 2WCS . COMPND 2 MOLECULE: ALPHA AMYLASE, CATALYTIC REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR A.B.DUMBREPATIL,J.H.CHOI,S.H.NAM,K.H.PARK,E.J.WOO . 485 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 10.9 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 . 0 0.0 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 . 35 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 4 0 1 1 0 1 0 2 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 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 0 PARALLEL BRIDGES PER LADDER . 4 1 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 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 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 M 0 0 154 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.4 4.5 10.5 -9.4 2 2 A Q - 0 0 177 1,-0.1 2,-0.2 0, 0.0 249,-0.0 -0.237 360.0 -96.4 -55.6 138.9 4.8 10.9 -5.7 3 3 A I - 0 0 44 247,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.387 47.1-175.7 -62.8 127.5 4.4 14.5 -4.4 4 4 A Q - 0 0 155 247,-0.3 307,-0.0 -2,-0.2 -1,-0.0 -0.980 8.2-179.8-129.6 140.2 7.6 16.4 -4.0 5 5 A T - 0 0 7 -2,-0.4 5,-0.1 231,-0.0 231,-0.1 -0.989 46.3 -76.5-138.3 145.7 8.3 19.9 -2.6 6 6 A P >> - 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.118 35.8-155.1 -42.7 110.4 11.5 21.9 -2.1 7 7 A D T 34 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 5,-0.1 0.816 91.1 61.6 -62.3 -29.6 13.3 20.5 1.0 8 8 A W T >4 S+ 0 0 43 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.864 98.9 57.0 -65.4 -32.6 15.1 23.8 1.6 9 9 A V G X4 S+ 0 0 0 -3,-0.7 3,-1.9 1,-0.3 -1,-0.2 0.922 96.6 65.1 -60.3 -42.3 11.7 25.4 2.1 10 10 A K G 3< S+ 0 0 8 -4,-1.1 -1,-0.3 1,-0.3 340,-0.2 0.590 112.9 31.7 -56.9 -15.3 11.0 22.9 4.8 11 11 A H G < S+ 0 0 71 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.189 98.7 111.7-128.6 16.0 13.8 24.3 7.0 12 12 A A < - 0 0 1 -3,-1.9 2,-0.5 -4,-0.2 58,-0.1 -0.514 54.1-148.5 -91.8 157.6 13.6 27.9 5.9 13 13 A V - 0 0 0 -2,-0.2 59,-1.2 338,-0.2 58,-1.1 -0.975 24.7-150.0-124.0 110.0 12.6 31.0 7.9 14 14 A F E -ab 72 353A 1 338,-2.8 340,-2.2 -2,-0.5 2,-0.4 -0.492 12.1-163.7 -86.0 154.9 11.1 33.6 5.5 15 15 A Y E -ab 73 354A 0 57,-1.5 59,-1.9 338,-0.2 2,-0.5 -0.953 13.3-146.3-138.0 111.5 11.1 37.4 5.9 16 16 A Q E -ab 74 355A 0 338,-2.6 340,-2.6 -2,-0.4 2,-0.4 -0.706 21.7-168.2 -84.9 125.2 8.6 39.4 3.8 17 17 A I E -a 75 0A 0 57,-1.6 59,-0.8 -2,-0.5 3,-0.1 -0.888 26.6-150.7-119.0 142.2 10.0 42.7 2.7 18 18 A F > - 0 0 50 -2,-0.4 3,-2.7 57,-0.2 4,-0.4 -0.832 20.4-165.0-105.6 92.2 8.5 45.8 1.1 19 19 A P G >> S+ 0 0 2 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.729 80.9 59.9 -59.4 -30.5 11.6 47.0 -0.7 20 20 A D G 34 S+ 0 0 13 1,-0.2 33,-4.3 2,-0.1 58,-0.0 0.713 120.8 27.0 -69.3 -20.5 10.3 50.5 -1.4 21 21 A R G <4 S+ 0 0 57 -3,-2.7 352,-0.4 31,-0.2 -1,-0.2 0.159 105.0 78.7-128.0 18.4 10.0 51.2 2.3 22 22 A F T <4 S- 0 0 5 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.1 0.919 101.8 -22.4 -92.7 -51.6 12.6 48.9 3.9 23 23 A A < - 0 0 7 -4,-0.7 31,-2.3 31,-0.2 35,-0.5 -0.928 44.4-149.7-165.2 133.1 16.0 50.5 3.4 24 24 A R - 0 0 132 29,-0.3 29,-0.1 -2,-0.3 31,-0.0 -0.919 35.0-113.7-105.7 138.8 17.8 53.1 1.3 25 25 A S - 0 0 16 -2,-0.4 -1,-0.1 1,-0.1 32,-0.1 0.111 15.8-138.4 -65.5 179.4 21.5 52.7 0.7 26 26 A K S S+ 0 0 154 2,-0.1 3,-0.1 30,-0.1 -1,-0.1 0.816 72.9 66.7-104.3 -81.4 24.2 55.0 2.0 27 27 A Q S S- 0 0 96 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.005 105.3 -71.7 -41.9 149.9 27.1 55.7 -0.5 28 28 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.105 52.6-155.6 -48.1 143.6 26.0 57.7 -3.6 29 29 A R - 0 0 39 18,-0.2 2,-3.0 -3,-0.1 3,-0.2 -0.969 20.7-141.0-134.3 117.9 23.9 55.8 -6.0 30 30 A K - 0 0 48 -2,-0.4 18,-0.1 1,-0.2 17,-0.0 -0.366 35.9-178.9 -69.4 67.9 23.5 56.5 -9.8 31 31 A R - 0 0 30 -2,-3.0 -1,-0.2 16,-0.3 3,-0.2 0.812 65.5 -12.8 -50.2 -55.1 19.9 55.6 -9.3 32 32 A L S S+ 0 0 82 -3,-0.2 2,-2.3 1,-0.2 3,-0.2 0.799 129.8 58.3-113.7 -62.2 18.6 56.0 -12.9 33 33 A L > + 0 0 77 1,-0.2 3,-0.5 2,-0.0 -1,-0.2 -0.492 65.4 177.3 -72.5 76.0 21.1 57.8 -15.0 34 34 A Q T 3 S+ 0 0 125 -2,-2.3 2,-1.3 1,-0.3 -1,-0.2 0.889 74.6 51.4 -50.3 -47.2 23.8 55.2 -14.4 35 35 A E T 3 S+ 0 0 164 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.498 85.9 132.0 -92.3 65.6 26.3 57.0 -16.7 36 36 A A < - 0 0 19 -2,-1.3 2,-0.2 -3,-0.5 5,-0.1 -0.933 61.4-106.7-122.6 145.1 26.0 60.5 -15.2 37 37 A R >> - 0 0 169 -2,-0.4 3,-0.7 1,-0.2 4,-0.6 -0.449 17.6-139.9 -67.5 130.0 28.6 63.0 -14.2 38 38 A W T 34 S+ 0 0 160 1,-0.2 4,-0.2 -2,-0.2 -1,-0.2 0.569 105.5 59.8 -66.3 -6.3 29.0 63.3 -10.4 39 39 A E T 34 S+ 0 0 144 1,-0.1 3,-0.5 2,-0.1 -1,-0.2 0.814 105.2 43.4 -88.3 -37.6 29.3 67.0 -11.2 40 40 A D T X> S+ 0 0 79 -3,-0.7 3,-1.1 1,-0.2 4,-0.6 0.400 89.7 95.8 -87.4 1.1 25.9 67.3 -12.8 41 41 A W G >< S+ 0 0 24 -4,-0.6 3,-1.2 1,-0.3 7,-0.3 0.876 79.1 53.7 -59.8 -40.7 24.4 65.2 -10.0 42 42 A D G 34 S+ 0 0 127 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.668 103.2 61.5 -68.0 -14.5 23.3 68.3 -8.0 43 43 A S G <4 S+ 0 0 84 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.700 94.6 65.6 -81.9 -23.1 21.6 69.3 -11.3 44 44 A M S+ 0 0 87 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.938 74.3 56.6 -48.6 -64.5 17.2 66.6 -8.0 46 46 A T H 4 S+ 0 0 103 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.846 118.7 32.3 -39.3 -51.9 15.1 63.4 -8.3 47 47 A L H >4 S+ 0 0 16 -3,-0.2 3,-0.8 1,-0.2 -16,-0.3 0.822 115.7 58.4 -78.8 -32.1 18.2 61.2 -8.4 48 48 A Q H 3< S+ 0 0 99 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.901 121.7 23.6 -67.0 -42.6 20.3 63.3 -6.1 49 49 A G T 3< S+ 0 0 52 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.441 80.7 165.0-123.9 58.9 17.8 63.2 -3.2 50 50 A Y < - 0 0 46 -3,-0.8 -3,-0.1 1,-0.1 -4,-0.0 -0.466 15.9-166.3 -70.3 149.5 15.7 60.0 -3.8 51 51 A K + 0 0 115 -2,-0.1 -1,-0.1 -5,-0.1 -27,-0.0 0.900 48.2 67.4-107.0 -68.3 13.7 59.0 -0.8 52 52 A G S S- 0 0 4 1,-0.1 -31,-0.2 -28,-0.0 -32,-0.1 0.188 86.4 -69.2 -69.0-177.6 12.2 55.5 -0.6 53 53 A G - 0 0 0 -33,-4.3 -29,-0.3 -35,-0.2 2,-0.3 -0.149 42.0-170.5 -76.4 159.9 13.9 52.2 -0.4 54 54 A D > - 0 0 0 -31,-2.3 4,-1.5 46,-0.1 -31,-0.2 -0.899 40.3-105.3-137.0 173.1 16.1 50.3 -2.9 55 55 A L H > S+ 0 0 0 44,-2.6 4,-3.0 -2,-0.3 5,-0.2 0.823 117.1 66.7 -68.8 -32.0 17.6 46.9 -3.3 56 56 A W H > S+ 0 0 15 43,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.961 100.9 48.7 -42.9 -59.1 20.9 48.4 -2.5 57 57 A G H >> S+ 0 0 1 -34,-0.5 4,-2.2 2,-0.2 3,-0.6 0.958 110.5 48.6 -49.6 -63.9 19.6 49.1 1.0 58 58 A I H 3< S+ 0 0 0 -4,-1.5 3,-0.3 -35,-0.5 -1,-0.2 0.905 112.2 50.2 -42.5 -53.9 18.3 45.6 1.5 59 59 A M H >< S+ 0 0 40 -4,-3.0 3,-1.2 1,-0.2 -1,-0.3 0.879 109.7 51.3 -55.6 -39.7 21.7 44.2 0.3 60 60 A E H X< S+ 0 0 48 -4,-2.5 3,-0.5 -3,-0.6 -1,-0.2 0.846 109.8 49.2 -67.5 -33.7 23.5 46.5 2.7 61 61 A D T 3X S+ 0 0 57 -4,-2.2 4,-1.9 -3,-0.3 3,-0.5 0.227 72.3 115.1 -91.1 15.4 21.4 45.4 5.7 62 62 A L H <> S+ 0 0 3 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.767 71.2 63.3 -55.4 -23.4 21.9 41.7 4.9 63 63 A D H <> S+ 0 0 103 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.961 103.5 44.6 -65.5 -51.9 23.8 41.5 8.2 64 64 A Y H >> S+ 0 0 41 -3,-0.5 4,-2.2 2,-0.2 3,-0.5 0.974 113.7 50.8 -55.0 -58.8 20.7 42.4 10.2 65 65 A I H 3X>S+ 0 0 0 -4,-1.9 5,-1.3 1,-0.3 4,-1.1 0.919 113.4 43.4 -43.2 -59.1 18.5 40.0 8.3 66 66 A Q H 3<5S+ 0 0 79 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.781 109.1 59.6 -65.1 -27.4 20.9 37.1 8.7 67 67 A N H <<5S+ 0 0 80 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.894 99.6 55.0 -67.7 -41.8 21.4 38.0 12.4 68 68 A L H <5S- 0 0 2 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.828 121.6-114.7 -55.1 -33.1 17.7 37.6 13.0 69 69 A G T <5 + 0 0 25 -4,-1.1 2,-0.4 1,-0.3 -3,-0.2 0.566 66.5 144.1 105.1 14.0 18.2 34.1 11.6 70 70 A I < - 0 0 2 -5,-1.3 -1,-0.3 1,-0.1 -56,-0.2 -0.733 26.0-175.4 -84.5 131.8 16.1 34.5 8.4 71 71 A N + 0 0 38 -58,-1.1 47,-2.0 -2,-0.4 2,-0.3 0.323 65.9 42.5-112.2 4.4 17.6 32.6 5.5 72 72 A A E -ac 14 118A 0 -59,-1.2 -57,-1.5 45,-0.3 2,-0.4 -0.905 61.6-164.0-157.9 122.3 15.2 33.6 2.7 73 73 A I E -ac 15 119A 1 45,-2.2 47,-1.9 -2,-0.3 2,-0.4 -0.858 4.6-172.4-110.1 144.3 13.5 36.9 1.8 74 74 A Y E -ac 16 120A 2 -59,-1.9 -57,-1.6 -2,-0.4 47,-0.2 -0.996 10.3-161.2-141.2 134.0 10.5 37.4 -0.4 75 75 A F E -a 17 0A 0 45,-1.5 -57,-0.2 -2,-0.4 3,-0.1 -0.256 22.5-104.5-103.4 177.5 9.2 40.8 -1.6 76 76 A T S S- 0 0 2 -59,-0.8 46,-0.7 1,-0.2 -1,-0.2 -0.143 76.8 -46.1 -72.1-169.1 6.2 42.4 -3.1 77 77 A P + 0 0 5 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 -0.399 57.1 170.6 -62.6 141.8 6.3 43.3 -6.8 78 78 A I + 0 0 2 44,-0.3 18,-3.0 -3,-0.1 21,-0.2 0.335 38.3 111.7-136.9 -2.6 9.6 45.0 -7.9 79 79 A F E S-G 95 0B 5 16,-0.3 16,-0.3 7,-0.2 13,-0.2 -0.266 86.5 -61.6 -73.0 166.8 9.3 45.0 -11.6 80 80 A Q E S+G 91 0B 52 14,-2.6 10,-3.6 11,-1.2 11,-1.6 -0.234 77.7 134.7 -61.8 125.1 8.9 48.2 -13.5 81 81 A S E -G 89 0B 10 8,-0.2 5,-0.2 9,-0.2 8,-0.1 -0.952 59.0 -73.8-158.9 167.5 5.7 50.0 -12.6 82 82 A A S > S- 0 0 63 6,-0.6 3,-1.3 3,-0.4 6,-0.2 -0.336 71.2 -72.9 -69.3 154.7 4.6 53.6 -11.7 83 83 A S T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.090 116.7 0.3 -46.6 144.5 5.5 54.9 -8.3 84 84 A N T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.799 114.4 90.2 37.1 43.9 3.6 53.4 -5.4 85 85 A H X + 0 0 82 -3,-1.3 3,-3.8 3,-0.0 -3,-0.4 -0.079 42.0 152.4-150.6 31.5 1.7 51.2 -7.8 86 86 A R T 3 S+ 0 0 11 1,-0.3 -7,-0.2 -5,-0.2 3,-0.1 0.598 70.6 60.0 -43.9 -19.1 4.1 48.2 -7.9 87 87 A Y T 3 S+ 0 0 52 1,-0.2 2,-1.2 -10,-0.1 -1,-0.3 0.534 84.7 79.5 -90.2 -8.3 1.1 45.9 -8.8 88 88 A H S < S- 0 0 35 -3,-3.8 -6,-0.6 -6,-0.2 41,-0.2 -0.589 82.8-154.8 -96.5 68.3 0.4 47.8 -12.0 89 89 A T E +G 81 0B 3 -2,-1.2 40,-0.6 38,-0.3 43,-0.3 -0.153 25.3 174.4 -49.9 132.3 3.2 46.1 -13.9 90 90 A H E S+ 0 0 82 -10,-3.6 43,-0.7 1,-0.3 2,-0.3 0.682 74.9 8.2-109.4 -33.0 4.6 48.1 -16.8 91 91 A D E > -G 80 0B 42 -11,-1.6 -11,-1.2 3,-0.2 3,-1.0 -0.853 54.1-167.5-155.2 113.7 7.4 45.8 -17.8 92 92 A Y E 3 S+ 0 0 2 -2,-0.3 -1,-0.1 1,-0.2 -11,-0.0 0.658 87.1 63.8 -74.5 -16.5 8.1 42.3 -16.3 93 93 A Y E 3 S+ 0 0 59 1,-0.1 2,-0.4 -13,-0.1 -1,-0.2 0.208 98.9 62.1 -98.3 14.1 11.6 42.1 -17.8 94 94 A Q E < S- 0 0 78 -3,-1.0 -14,-2.6 -14,-0.1 2,-0.2 -0.981 73.6-134.0-139.7 129.7 12.9 45.0 -15.7 95 95 A V E -G 79 0B 1 -2,-0.4 7,-0.4 -16,-0.3 -16,-0.3 -0.586 54.8 -86.2 -63.2 139.4 13.3 45.6 -12.0 96 96 A D >>> - 0 0 6 -18,-3.0 5,-2.5 -2,-0.2 3,-1.8 -0.258 31.1-135.5 -57.3 130.6 12.1 49.2 -11.3 97 97 A P G >45S+ 0 0 31 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.851 104.2 60.5 -55.3 -38.0 14.8 51.8 -11.9 98 98 A M G 345S+ 0 0 36 1,-0.3 -2,-0.1 2,-0.2 -66,-0.1 0.682 106.2 47.8 -66.9 -17.4 13.9 53.5 -8.6 99 99 A L G <45S- 0 0 1 -3,-1.8 -44,-2.6 -21,-0.2 -43,-0.6 0.577 134.6 -89.4 -95.6 -13.6 14.8 50.3 -6.8 100 100 A G T < - 0 0 10 -5,-2.5 4,-2.4 1,-0.2 3,-0.4 0.109 57.9 -38.6 52.0-167.6 16.8 48.0 -11.7 102 102 A N H > S+ 0 0 30 -7,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.812 136.2 60.4 -58.1 -33.6 18.3 44.7 -12.8 103 103 A E H > S+ 0 0 106 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.917 110.6 38.6 -63.8 -44.6 21.8 45.9 -12.0 104 104 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -3,-0.4 -2,-0.2 0.930 115.3 52.6 -72.4 -44.5 21.0 46.4 -8.3 105 105 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.901 105.6 55.7 -57.0 -42.7 18.8 43.3 -8.0 106 106 A K H X S+ 0 0 86 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.914 108.0 48.5 -56.0 -43.7 21.6 41.2 -9.5 107 107 A E H X S+ 0 0 72 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.831 111.8 48.3 -67.0 -34.7 24.0 42.5 -6.7 108 108 A L H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.939 111.0 51.6 -69.7 -48.0 21.5 41.7 -4.0 109 109 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.955 113.7 42.6 -51.5 -58.6 20.9 38.2 -5.4 110 110 A D H X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 115.9 49.9 -55.0 -47.0 24.6 37.4 -5.5 111 111 A A H X S+ 0 0 12 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.892 112.0 47.1 -60.6 -42.8 25.1 38.9 -2.1 112 112 A A H <>S+ 0 0 0 -4,-3.4 5,-2.2 1,-0.2 -1,-0.2 0.904 112.1 51.1 -66.9 -40.9 22.2 37.0 -0.6 113 113 A H H ><5S+ 0 0 62 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.860 101.8 56.5 -67.5 -37.9 23.3 33.8 -2.1 114 114 A Q H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.3 49.0 -63.3 -27.3 26.9 33.9 -0.9 115 115 A R T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.404 122.6-115.7 -87.3 0.5 25.3 34.2 2.5 116 116 A N T < 5 + 0 0 121 -3,-2.0 2,-0.5 1,-0.2 -3,-0.3 0.918 68.2 140.3 65.4 46.7 23.2 31.2 1.6 117 117 A I < - 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