==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-JAN-11 3QAI . COMPND 2 MOLECULE: KETOHEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.ABAD . 597 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 60 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 1 2 0 2 0 0 2 2 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 5 4 0 2 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 . 0 0 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 G 0 0 74 0, 0.0 129,-0.2 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 53.5 18.7 17.6 6.3 2 4 A S + 0 0 81 128,-0.1 129,-0.2 129,-0.1 2,-0.2 0.584 360.0 83.2-109.7 -12.6 18.7 15.2 9.3 3 5 A Q E -a 131 0A 34 127,-4.2 129,-1.8 50,-0.1 130,-1.1 -0.587 59.1-141.6 -98.2 156.3 15.6 16.0 11.5 4 6 A I E -ab 133 55A 2 50,-1.4 52,-1.9 -2,-0.2 2,-0.4 -0.954 23.8-153.9-106.9 136.0 12.0 14.9 11.4 5 7 A L E -ab 134 56A 0 128,-2.2 130,-3.1 -2,-0.4 2,-0.4 -0.901 8.7-163.2-114.5 138.5 9.5 17.6 12.4 6 8 A C E -ab 135 57A 0 50,-2.5 52,-2.2 -2,-0.4 2,-0.6 -0.977 2.7-161.7-120.5 136.9 6.0 17.3 13.8 7 9 A V E +ab 136 58A 0 128,-2.4 130,-2.9 -2,-0.4 2,-0.2 -0.929 47.2 74.0-118.5 107.2 3.5 20.1 13.9 8 10 A G S S- 0 0 6 50,-1.3 2,-0.2 -2,-0.6 52,-0.2 -0.861 73.7 -29.3-173.1-146.9 0.5 19.8 16.3 9 11 A L - 0 0 30 -2,-0.2 33,-1.2 50,-0.1 2,-0.4 -0.571 29.8-160.0 -93.0 151.4 -0.5 20.1 20.0 10 12 A V + 0 0 3 50,-0.4 2,-0.3 -2,-0.2 29,-0.3 -0.955 22.9 176.0-116.9 146.3 1.2 19.5 23.3 11 13 A V E -I 38 0B 7 27,-0.7 27,-3.4 -2,-0.4 2,-0.8 -0.996 35.2-115.5-150.2 141.3 -1.1 18.9 26.2 12 14 A L E -Ij 37 94B 0 81,-1.8 83,-2.8 -2,-0.3 2,-0.9 -0.753 30.9-152.9 -80.1 113.6 -0.7 18.0 29.9 13 15 A D E -Ij 36 95B 7 23,-2.9 23,-1.5 -2,-0.8 2,-0.9 -0.795 6.6-164.0 -91.0 105.3 -2.3 14.6 30.4 14 16 A V E -Ij 35 96B 9 81,-3.2 83,-3.0 -2,-0.9 2,-0.4 -0.826 24.1-161.5 -85.7 106.1 -3.5 14.2 34.0 15 17 A I E -Ij 34 97B 1 19,-2.8 19,-1.4 -2,-0.9 2,-0.4 -0.727 21.3-172.8-104.5 138.2 -3.9 10.4 34.0 16 18 A S E -Ij 33 98B 6 81,-2.7 83,-2.4 -2,-0.4 2,-0.7 -0.991 13.8-150.7-124.7 122.6 -5.9 8.2 36.3 17 19 A L E +Ij 32 99B 12 15,-3.2 14,-4.0 -2,-0.4 15,-1.2 -0.827 24.4 173.3 -92.2 113.0 -5.6 4.4 36.0 18 20 A V E - j 0 100B 0 81,-2.0 83,-3.0 -2,-0.7 84,-0.3 -0.812 35.1-136.0-114.6 158.7 -8.9 2.7 37.1 19 21 A D S S+ 0 0 85 10,-0.3 2,-0.3 -2,-0.3 81,-0.1 0.651 91.0 18.7 -93.7 -14.0 -9.8 -1.0 36.9 20 22 A K S S- 0 0 145 79,-0.1 -1,-0.2 81,-0.1 81,-0.1 -0.977 89.8-102.2-147.6 150.1 -13.3 -0.4 35.6 21 23 A Y - 0 0 40 -2,-0.3 305,-0.1 -3,-0.1 79,-0.0 -0.572 45.3-114.2 -77.0 126.3 -14.9 2.6 33.9 22 24 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.195 24.0-131.3 -65.9 143.8 -17.1 4.6 36.3 23 25 A K > - 0 0 159 1,-0.2 3,-2.6 2,-0.0 0, 0.0 -0.645 45.8 -65.7 -91.5 153.0 -20.9 4.8 35.8 24 26 A E T 3 S- 0 0 67 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.045 118.4 -2.8 -28.6 126.4 -22.9 8.1 35.9 25 27 A D T 3 S+ 0 0 85 375,-0.2 -1,-0.3 1,-0.2 383,-0.1 0.412 104.2 123.5 69.8 -5.5 -22.9 9.7 39.3 26 28 A S < - 0 0 25 -3,-2.6 384,-2.1 383,-0.0 2,-0.4 -0.192 54.1-134.3 -78.7 178.2 -20.9 6.9 41.0 27 29 A E E +m 410 0C 123 382,-0.2 2,-0.3 -3,-0.1 384,-0.2 -0.935 26.1 169.8-141.4 116.5 -17.6 7.2 42.8 28 30 A I E -m 411 0C 31 382,-2.3 384,-4.2 -2,-0.4 2,-0.5 -0.807 29.4-123.3-121.4 164.9 -14.5 4.9 42.3 29 31 A R E -m 412 0C 99 -2,-0.3 -10,-0.3 382,-0.2 384,-0.2 -0.925 27.3-126.8-111.5 128.0 -10.9 5.0 43.5 30 32 A C - 0 0 5 382,-2.3 385,-0.3 -2,-0.5 -12,-0.3 -0.221 6.3-135.9 -69.0 160.1 -8.1 4.9 40.9 31 33 A L S S- 0 0 80 -14,-4.0 2,-0.3 1,-0.3 384,-0.2 0.807 81.0 -23.4 -81.8 -36.2 -5.3 2.3 41.1 32 34 A S E -I 17 0B 41 -15,-1.2 -15,-3.2 382,-0.1 2,-0.3 -0.981 59.1-143.6-166.8 169.1 -2.6 4.9 40.3 33 35 A Q E +I 16 0B 17 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.996 16.3 167.7-144.9 146.5 -2.0 8.3 38.7 34 36 A R E -I 15 0B 57 -19,-1.4 -19,-2.8 -2,-0.3 2,-0.3 -0.985 30.5-120.9-151.9 160.3 0.6 10.1 36.7 35 37 A W E -I 14 0B 49 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.755 33.7-175.1 -95.1 150.7 1.2 13.2 34.6 36 38 A Q E -I 13 0B 23 -23,-1.5 -23,-2.9 -2,-0.3 2,-0.4 -0.984 32.9-112.0-152.6 136.4 2.3 12.8 31.0 37 39 A R E +I 12 0B 5 -2,-0.3 -25,-0.2 -25,-0.2 2,-0.1 -0.564 53.2 179.9 -68.9 120.4 3.4 15.0 28.2 38 40 A G E +I 11 0B 0 -27,-3.4 -27,-0.7 -2,-0.4 4,-0.1 -0.213 27.9 98.4-115.1-162.6 0.5 14.7 25.7 39 41 A G S > S- 0 0 10 -29,-0.3 4,-2.8 3,-0.2 5,-0.2 0.224 70.5 -99.2 88.9 143.5 -0.8 15.8 22.3 40 42 A N H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.984 122.6 40.8 -64.2 -60.8 -0.5 13.8 19.1 41 43 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 115.9 56.5 -54.4 -33.9 2.5 15.4 17.5 42 44 A S H > S+ 0 0 0 -33,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.947 107.5 45.1 -62.4 -50.3 3.9 15.5 21.0 43 45 A N H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.934 109.9 55.3 -57.8 -49.9 3.6 11.7 21.5 44 46 A S H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.877 105.3 52.9 -53.3 -41.3 5.0 11.0 18.0 45 47 A C H X S+ 0 0 0 -4,-2.1 4,-3.4 -5,-0.2 -1,-0.2 0.936 107.5 52.2 -57.3 -48.7 8.1 13.1 18.9 46 48 A T H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.928 113.0 44.8 -47.2 -50.0 8.5 10.9 22.0 47 49 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.910 112.3 49.3 -73.0 -43.3 8.3 7.8 19.9 48 50 A L H ><>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 3,-0.7 0.960 112.6 49.8 -55.8 -52.1 10.7 9.0 17.2 49 51 A S H ><5S+ 0 0 28 -4,-3.4 3,-2.7 1,-0.3 -2,-0.2 0.958 108.8 51.0 -49.5 -56.4 13.1 10.0 19.9 50 52 A L H 3<5S+ 0 0 37 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.769 107.4 55.3 -57.1 -24.0 12.9 6.6 21.6 51 53 A L T <<5S- 0 0 28 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.493 122.5-107.0 -88.4 -2.6 13.5 5.0 18.1 52 54 A G T < 5S+ 0 0 62 -3,-2.7 -3,-0.2 -4,-0.4 -2,-0.1 0.599 74.0 137.5 89.6 14.1 16.7 7.0 17.8 53 55 A A < - 0 0 12 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.824 56.2-125.5 -95.1 121.5 15.5 9.5 15.2 54 56 A P + 0 0 78 0, 0.0 -50,-1.4 0, 0.0 2,-0.3 -0.509 47.6 161.0 -58.4 128.6 16.5 13.1 15.7 55 57 A C E -b 4 0A 3 23,-0.4 25,-1.9 -52,-0.3 2,-0.3 -0.865 29.1-146.4-144.3 177.3 13.2 15.1 15.7 56 58 A A E -bc 5 80A 0 -52,-1.9 -50,-2.5 -2,-0.3 2,-0.3 -0.988 10.0-140.5-152.4 137.5 11.6 18.4 16.6 57 59 A F E -b 6 0A 0 23,-1.6 26,-0.5 -2,-0.3 2,-0.4 -0.760 13.2-171.1-100.3 147.5 8.2 19.6 17.8 58 60 A M E +b 7 0A 4 -52,-2.2 -50,-1.3 -2,-0.3 2,-0.3 -0.941 30.0 110.8-139.0 118.6 6.4 22.7 16.8 59 61 A G - 0 0 1 -2,-0.4 26,-1.8 -52,-0.2 2,-0.2 -0.962 64.5 -69.5-164.7 175.4 3.2 24.0 18.4 60 62 A S E +q 85 0D 19 -2,-0.3 -50,-0.4 -52,-0.2 2,-0.3 -0.484 45.1 177.9 -73.9 143.0 1.8 26.8 20.6 61 63 A M E -q 86 0D 0 24,-1.0 26,-1.7 -2,-0.2 31,-0.1 -0.966 20.6-145.3-147.3 131.5 2.7 27.0 24.3 62 64 A A - 0 0 2 -2,-0.3 5,-0.5 24,-0.2 30,-0.3 -0.831 32.3-113.2 -93.8 130.2 1.8 29.5 27.0 63 65 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.320 67.6 96.6 -66.0 142.7 4.5 30.2 29.6 64 66 A G S > S- 0 0 34 1,-0.1 4,-1.2 27,-0.1 27,-0.0 -0.956 89.0 -59.9 169.2-160.0 3.7 29.0 33.1 65 67 A H H > S+ 0 0 155 -2,-0.3 4,-1.5 2,-0.2 5,-0.1 0.848 128.2 54.4 -83.2 -34.9 4.3 26.1 35.4 66 68 A V H >> S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 3,-0.9 0.986 107.6 49.4 -58.8 -59.8 2.6 23.6 33.1 67 69 A A H 3> S+ 0 0 0 -5,-0.5 4,-3.3 1,-0.3 5,-0.3 0.908 104.9 59.1 -44.2 -50.5 4.8 24.5 30.1 68 70 A D H 3X S+ 0 0 103 -4,-1.2 4,-2.3 1,-0.2 -1,-0.3 0.889 107.5 47.1 -50.5 -42.3 7.9 24.2 32.2 69 71 A F H S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.4 0.898 112.5 45.1 -48.7 -45.5 10.8 17.3 25.7 75 77 A R H ><5S+ 0 0 172 -4,-2.3 3,-1.7 2,-0.2 -2,-0.2 0.887 102.6 59.5 -72.0 -42.8 14.5 17.7 26.7 76 78 A R H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 115.1 43.3 -56.0 -15.2 14.8 14.5 28.7 77 79 A R T 3<5S- 0 0 33 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.364 113.9-120.4-112.4 -2.6 13.8 13.1 25.4 78 80 A G T < 5 + 0 0 59 -3,-1.7 -23,-0.4 1,-0.2 2,-0.3 0.706 53.7 159.0 71.8 19.3 16.0 15.2 23.1 79 81 A V < - 0 0 6 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.614 45.7-120.7 -75.5 134.0 13.2 16.7 21.2 80 82 A D B +c 56 0A 50 -25,-1.9 -23,-1.6 -2,-0.3 3,-0.2 -0.687 37.8 169.6 -76.8 112.8 14.1 20.0 19.5 81 83 A V > + 0 0 22 -2,-0.7 3,-2.7 -25,-0.2 -22,-0.2 0.423 47.0 104.9-104.5 -0.9 11.7 22.6 20.9 82 84 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -24,-0.1 -24,-0.1 0.509 76.0 60.6 -62.9 -2.7 13.5 25.6 19.4 83 85 A Q T 3 S+ 0 0 35 -26,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.302 77.3 128.4-104.6 7.0 10.7 25.9 16.8 84 86 A V < - 0 0 16 -3,-2.7 2,-0.8 -26,-0.1 -24,-0.2 -0.329 56.1-137.6 -67.2 144.4 8.0 26.4 19.4 85 87 A A E -q 60 0D 16 -26,-1.8 -24,-1.0 -2,-0.0 -1,-0.1 -0.785 23.2-156.9-105.3 90.0 5.6 29.3 19.0 86 88 A W E -q 61 0D 129 -2,-0.8 -24,-0.2 -26,-0.2 2,-0.2 -0.169 7.8-160.6 -62.2 153.9 5.1 30.9 22.4 87 89 A Q - 0 0 48 -26,-1.7 3,-0.1 3,-0.1 -1,-0.1 -0.445 25.3-154.4-116.8-167.2 2.1 33.0 23.3 88 90 A S S S+ 0 0 118 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.226 79.1 77.2-146.2 -6.2 1.0 35.6 25.8 89 91 A K S S- 0 0 164 25,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.948 93.5 -3.1-110.7 119.3 -2.7 34.9 25.6 90 92 A G S S- 0 0 38 -2,-0.5 2,-0.2 25,-0.1 -3,-0.1 -0.245 74.7 -85.7 98.8 174.9 -4.1 31.8 27.4 91 93 A D - 0 0 121 -2,-0.1 24,-0.3 1,-0.0 22,-0.2 -0.725 50.8 -74.7-118.4 170.0 -2.8 28.8 29.4 92 94 A T - 0 0 12 -30,-0.3 -81,-0.1 -2,-0.2 -31,-0.1 -0.486 52.9-117.9 -65.5 123.6 -1.4 25.4 28.5 93 95 A P + 0 0 8 0, 0.0 -81,-1.8 0, 0.0 2,-0.3 -0.186 41.0 175.9 -55.7 153.6 -4.2 23.0 27.4 94 96 A S E -jK 12 111B 6 17,-1.3 17,-2.5 -83,-0.2 2,-0.3 -0.986 11.6-163.5-157.6 160.3 -4.7 20.0 29.7 95 97 A S E -jK 13 110B 2 -83,-2.8 -81,-3.2 -2,-0.3 2,-0.6 -0.978 23.2-121.0-148.8 163.1 -6.9 17.0 30.1 96 98 A C E -jK 14 109B 5 13,-2.0 13,-2.0 -2,-0.3 2,-0.6 -0.921 29.6-164.6-103.1 120.6 -8.1 14.2 32.4 97 99 A C E -jK 15 108B 1 -83,-3.0 -81,-2.7 -2,-0.6 2,-0.8 -0.928 6.9-161.1-112.6 120.4 -7.5 10.8 30.9 98 100 A I E -jK 16 107B 7 9,-2.5 9,-2.9 -2,-0.6 2,-0.6 -0.893 10.4-165.8 -98.8 111.9 -9.2 7.9 32.4 99 101 A I E -jK 17 106B 0 -83,-2.4 -81,-2.0 -2,-0.8 2,-1.0 -0.873 13.1-143.4-100.7 118.5 -7.4 4.7 31.4 100 102 A N E >> -j 18 0B 5 5,-2.8 4,-2.8 -2,-0.6 3,-1.6 -0.706 7.4-159.5 -84.4 106.6 -9.3 1.5 32.0 101 103 A N T 34 S+ 0 0 50 -83,-3.0 -82,-0.2 -2,-1.0 -1,-0.2 0.536 83.7 64.7 -65.1 -7.1 -6.6 -1.0 33.0 102 104 A S T 34 S+ 0 0 80 -84,-0.3 -1,-0.3 1,-0.1 146,-0.2 0.575 129.3 1.5 -97.9 -9.0 -8.8 -4.0 32.1 103 105 A N T <4 S- 0 0 63 -3,-1.6 -2,-0.2 2,-0.1 146,-0.2 0.278 95.8-115.9-149.1 4.7 -8.9 -3.3 28.4 104 106 A G < + 0 0 0 -4,-2.8 147,-2.4 145,-0.3 -3,-0.2 0.553 54.9 162.5 68.5 8.4 -6.7 -0.2 28.1 105 107 A N - 0 0 43 -5,-0.4 -5,-2.8 143,-0.1 2,-0.5 -0.248 25.7-150.2 -51.2 145.3 -9.7 2.0 26.9 106 108 A R E -K 99 0B 38 -7,-0.2 2,-0.6 145,-0.1 -7,-0.2 -0.938 10.2-163.3-131.8 115.1 -8.8 5.7 27.3 107 109 A T E -K 98 0B 3 -9,-2.9 -9,-2.5 -2,-0.5 2,-0.6 -0.838 12.3-160.9 -96.7 122.8 -11.4 8.4 27.9 108 110 A I E -Kl 97 329B 20 220,-3.6 222,-3.6 -2,-0.6 2,-0.7 -0.920 14.7-175.7-111.8 121.1 -10.2 11.9 27.2 109 111 A V E -Kl 96 330B 2 -13,-2.0 -13,-2.0 -2,-0.6 2,-0.4 -0.924 21.4-161.7-110.1 103.8 -11.8 15.0 28.6 110 112 A L E -Kl 95 331B 21 220,-3.5 222,-2.5 -2,-0.7 2,-0.9 -0.689 18.9-157.7 -93.8 131.9 -9.9 17.9 27.0 111 113 A H E -K 94 0B 53 -17,-2.5 -17,-1.3 -2,-0.4 2,-0.6 -0.871 19.0-162.3-101.5 97.6 -9.8 21.5 28.2 112 114 A D - 0 0 32 -2,-0.9 -20,-0.1 220,-0.2 -17,-0.0 -0.722 8.1-145.8 -80.5 121.2 -8.9 23.4 25.1 113 115 A T - 0 0 19 -2,-0.6 -23,-0.0 -22,-0.2 -21,-0.0 -0.186 28.1-110.2 -67.6 174.1 -7.6 26.9 26.0 114 116 A S S S+ 0 0 122 2,-0.0 3,-0.1 3,-0.0 -1,-0.1 0.576 71.0 147.6 -79.4 -9.0 -8.3 29.8 23.7 115 117 A L - 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