==== 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 07-JAN-11 3Q92 . 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) . 25690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 15.2 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 . 73 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 2 2 0 2 0 0 1 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 4 5 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 73 0, 0.0 130,-0.2 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 54.1 18.6 17.7 6.6 2 4 A S + 0 0 82 128,-0.5 129,-0.2 129,-0.1 2,-0.2 0.514 360.0 84.8-111.6 -9.1 18.7 15.2 9.4 3 5 A Q E -a 131 0A 32 127,-3.2 129,-2.7 50,-0.1 130,-1.1 -0.574 61.0-141.3 -96.5 159.2 15.8 16.0 11.7 4 6 A I E -ab 133 55A 2 50,-1.4 52,-2.8 127,-0.2 2,-0.5 -0.970 21.0-153.2-112.0 137.8 12.1 14.9 11.6 5 7 A L E -ab 134 56A 0 128,-2.3 130,-3.6 -2,-0.4 2,-0.4 -0.937 8.5-164.5-118.4 124.7 9.6 17.5 12.6 6 8 A C E -ab 135 57A 0 50,-2.5 52,-2.4 -2,-0.5 2,-0.6 -0.896 5.3-161.4-105.6 137.4 6.1 17.0 14.1 7 9 A V E +ab 136 58A 1 128,-3.1 130,-3.6 -2,-0.4 2,-0.3 -0.936 47.1 72.2-120.1 107.1 3.6 19.9 14.1 8 10 A G S S- 0 0 5 50,-1.3 52,-0.2 -2,-0.6 2,-0.1 -0.877 75.3 -25.6-176.5-146.7 0.7 19.6 16.5 9 11 A L - 0 0 35 -2,-0.3 33,-1.3 50,-0.1 2,-0.4 -0.464 30.2-159.9 -92.6 156.7 -0.3 19.9 20.2 10 12 A V + 0 0 4 50,-0.3 2,-0.3 -2,-0.1 29,-0.3 -0.987 25.1 172.5-126.0 139.4 1.5 19.3 23.5 11 13 A V E -I 38 0B 6 27,-0.9 27,-3.3 -2,-0.4 2,-0.6 -0.995 38.4-112.8-152.8 136.0 -0.8 18.7 26.4 12 14 A L E -Ij 37 94B 0 81,-1.4 83,-2.3 -2,-0.3 2,-0.8 -0.621 30.7-153.9 -70.4 116.6 -0.5 17.7 30.1 13 15 A D E -Ij 36 95B 8 23,-2.6 23,-1.4 -2,-0.6 2,-1.1 -0.869 3.2-160.8 -93.6 108.4 -2.0 14.2 30.3 14 16 A V E -Ij 35 96B 9 81,-2.5 83,-2.2 -2,-0.8 2,-0.3 -0.768 21.3-158.2 -92.3 95.4 -3.3 13.9 33.9 15 17 A I E -Ij 34 97B 1 19,-2.0 19,-1.5 -2,-1.1 2,-0.4 -0.549 21.0-174.7 -92.5 133.8 -3.5 10.1 34.1 16 18 A S E -Ij 33 98B 6 81,-2.9 83,-2.6 -2,-0.3 2,-0.7 -0.994 17.3-146.5-120.6 128.9 -5.6 7.9 36.5 17 19 A L E -Ij 32 99B 12 15,-3.1 14,-3.4 -2,-0.4 15,-0.9 -0.863 23.8-178.6 -99.0 114.9 -5.2 4.2 36.3 18 20 A V E - j 0 100B 0 81,-2.5 83,-3.1 -2,-0.7 84,-0.4 -0.899 31.8-141.6-117.8 140.1 -8.5 2.5 37.1 19 21 A D S S+ 0 0 93 -2,-0.4 2,-0.3 81,-0.2 -1,-0.1 0.689 91.3 6.2 -79.5 -12.4 -9.3 -1.3 37.3 20 22 A K S S- 0 0 131 79,-0.1 -1,-0.2 81,-0.1 81,-0.1 -0.953 88.9 -96.2-155.2 155.2 -12.7 -0.8 35.6 21 23 A Y - 0 0 42 -2,-0.3 2,-0.1 -3,-0.1 305,-0.0 -0.551 45.8-126.2 -70.3 131.8 -14.4 2.2 34.0 22 24 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.451 17.8-127.2 -80.8 155.0 -16.7 3.8 36.6 23 25 A K > - 0 0 161 1,-0.2 3,-1.5 -2,-0.1 0, 0.0 -0.517 44.1 -68.1 -91.1 166.7 -20.4 4.4 35.8 24 26 A E T 3 S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 -0.153 120.7 11.0 -45.6 141.6 -22.3 7.7 36.2 25 27 A D T 3 S+ 0 0 106 1,-0.2 -1,-0.2 -3,-0.1 383,-0.1 0.128 100.0 127.9 78.9 -25.8 -22.6 8.9 39.7 26 28 A S < - 0 0 29 -3,-1.5 384,-2.4 -2,-0.3 2,-0.4 -0.096 50.7-146.8 -68.9 163.9 -20.2 6.3 41.1 27 29 A E E +m 410 0C 130 382,-0.2 2,-0.5 -3,-0.1 384,-0.2 -0.827 26.5 167.1-135.2 91.6 -17.2 6.9 43.2 28 30 A I E -m 411 0C 40 382,-1.6 384,-1.2 -2,-0.4 2,-0.1 -0.937 30.7-128.6-116.8 130.7 -14.3 4.5 42.5 29 31 A R E -m 412 0C 108 -2,-0.5 384,-0.2 382,-0.2 2,-0.1 -0.443 26.7-123.0 -75.0 141.3 -10.7 4.9 43.8 30 32 A C - 0 0 6 382,-2.8 -12,-0.2 -2,-0.1 385,-0.2 -0.482 4.1-135.3 -88.3 158.4 -7.9 4.7 41.2 31 33 A L S S- 0 0 88 -14,-3.4 384,-0.3 1,-0.3 2,-0.3 0.892 79.5 -17.8 -77.1 -47.3 -4.9 2.3 41.3 32 34 A S E -I 17 0B 42 -15,-0.9 -15,-3.1 382,-0.1 2,-0.3 -0.964 59.9-147.4-151.3 166.8 -2.2 4.7 40.5 33 35 A Q E +I 16 0B 17 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.998 15.7 170.7-141.0 147.2 -1.7 8.1 38.9 34 36 A R E -I 15 0B 56 -19,-1.5 -19,-2.0 -2,-0.3 2,-0.3 -0.964 29.2-124.1-145.5 164.2 0.9 9.9 36.9 35 37 A W E -I 14 0B 52 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.842 33.8-176.6-103.5 149.4 1.6 13.0 34.9 36 38 A Q E -I 13 0B 24 -23,-1.4 -23,-2.6 -2,-0.3 2,-0.6 -0.937 33.2-116.7-156.9 126.1 2.6 12.6 31.2 37 39 A R E +I 12 0B 4 -2,-0.3 -25,-0.2 -25,-0.2 9,-0.1 -0.469 53.4 166.3 -62.0 109.5 3.6 14.8 28.3 38 40 A G E +I 11 0B 0 -27,-3.3 -27,-0.9 -2,-0.6 4,-0.1 -0.057 21.9 113.6-111.5-151.7 0.8 14.3 25.8 39 41 A G S > S- 0 0 10 -29,-0.3 4,-2.8 3,-0.2 5,-0.2 0.443 70.5 -99.1 84.3 130.0 -0.6 15.7 22.6 40 42 A N H > S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.905 121.9 39.1 -48.6 -61.7 -0.5 13.7 19.4 41 43 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.816 115.0 56.5 -62.8 -29.0 2.5 15.3 17.7 42 44 A S H > S+ 0 0 0 -33,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.927 107.6 47.7 -63.1 -47.5 4.2 15.5 21.2 43 45 A N H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.916 107.5 54.9 -59.3 -48.3 3.8 11.7 21.6 44 46 A S H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.895 106.2 52.7 -54.6 -44.3 5.2 11.0 18.1 45 47 A C H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.917 108.8 50.3 -54.0 -47.7 8.3 12.9 19.0 46 48 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.948 113.5 45.3 -52.2 -50.3 8.7 10.8 22.1 47 49 A V H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.918 113.7 48.6 -66.2 -42.1 8.3 7.7 20.0 48 50 A L H <>S+ 0 0 0 -4,-3.3 5,-2.1 2,-0.2 4,-0.5 0.935 109.6 53.0 -62.2 -48.7 10.7 9.0 17.3 49 51 A S H ><5S+ 0 0 28 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.949 107.5 50.5 -49.2 -56.8 13.3 9.9 19.9 50 52 A L H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.2 58.0 -53.2 -32.1 13.2 6.4 21.5 51 53 A L T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.545 122.0-108.7 -77.8 -7.8 13.7 4.9 18.0 52 54 A G T < 5S+ 0 0 62 -3,-2.3 -3,-0.2 -4,-0.5 -2,-0.1 0.650 73.8 137.2 90.2 19.8 16.9 6.9 17.7 53 55 A A < - 0 0 12 -5,-2.1 -1,-0.2 -50,-0.0 -2,-0.1 -0.869 56.9-123.5-103.5 118.0 15.7 9.4 15.1 54 56 A P + 0 0 76 0, 0.0 -50,-1.4 0, 0.0 2,-0.3 -0.401 47.1 165.8 -59.8 129.2 16.6 13.1 15.7 55 57 A C E -bc 4 79A 3 23,-0.5 25,-2.0 -52,-0.3 2,-0.4 -0.884 28.9-144.1-144.4 169.2 13.4 15.0 15.7 56 58 A A E -bc 5 80A 0 -52,-2.8 -50,-2.5 -2,-0.3 2,-0.4 -0.997 9.2-144.0-142.8 132.9 11.8 18.4 16.6 57 59 A F E -b 6 0A 0 23,-1.7 26,-0.5 -2,-0.4 2,-0.4 -0.809 14.0-171.6 -93.2 138.2 8.4 19.4 18.1 58 60 A M E +b 7 0A 2 -52,-2.4 -50,-1.3 -2,-0.4 2,-0.3 -0.973 30.5 110.1-127.4 120.4 6.7 22.6 16.9 59 61 A G - 0 0 0 -2,-0.4 26,-2.6 -52,-0.2 2,-0.2 -0.972 62.9 -72.2-165.6 178.5 3.6 23.9 18.7 60 62 A S E +q 85 0D 13 -2,-0.3 2,-0.3 -52,-0.2 -50,-0.3 -0.558 43.0 177.6 -81.5 145.6 2.1 26.6 20.9 61 63 A M E -q 86 0D 2 24,-0.8 26,-2.7 -2,-0.2 31,-0.0 -0.965 22.7-142.9-149.5 131.0 2.9 26.8 24.6 62 64 A A - 0 0 4 -2,-0.3 5,-0.5 24,-0.2 30,-0.3 -0.835 35.0-112.3 -91.6 126.9 2.0 29.3 27.3 63 65 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 29,-0.1 -0.269 67.6 99.2 -57.7 136.6 4.8 30.0 29.9 64 66 A G S > S- 0 0 31 1,-0.1 4,-1.8 27,-0.1 5,-0.1 -0.952 88.0 -66.7 168.2-173.0 4.1 28.6 33.3 65 67 A H H > S+ 0 0 146 -2,-0.3 4,-1.2 2,-0.2 5,-0.1 0.785 128.8 56.6 -72.1 -27.5 4.9 25.7 35.7 66 68 A V H >> S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 3,-1.0 0.976 109.1 44.4 -64.4 -57.7 2.9 23.4 33.4 67 69 A A H 3> S+ 0 0 0 -5,-0.5 4,-2.5 1,-0.3 5,-0.2 0.864 106.7 62.5 -54.0 -36.6 5.1 24.3 30.4 68 70 A D H 3X S+ 0 0 102 -4,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.842 108.5 41.9 -60.7 -33.6 8.1 24.0 32.7 69 71 A F H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 3,-0.5 0.878 115.4 46.0 -44.7 -44.4 11.0 17.1 25.8 75 77 A R H ><5S+ 0 0 165 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.895 100.8 60.4 -75.6 -41.6 14.7 17.6 26.7 76 78 A R H 3<5S+ 0 0 170 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.692 115.6 43.7 -54.6 -11.5 15.2 14.5 28.9 77 79 A R T <<5S- 0 0 53 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.3 0.462 116.1-112.7-116.9 -10.0 14.3 13.0 25.5 78 80 A G T < 5 + 0 0 59 -3,-1.5 2,-0.7 1,-0.3 -23,-0.5 0.806 56.9 158.0 80.0 30.8 16.3 15.0 23.1 79 81 A V E < -c 55 0A 6 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.3 -0.804 44.2-127.7 -94.0 119.9 13.4 16.7 21.4 80 82 A D E +c 56 0A 47 -25,-2.0 -23,-1.7 -2,-0.7 3,-0.2 -0.553 31.9 175.5 -66.2 116.8 14.4 19.9 19.7 81 83 A V > + 0 0 19 -2,-0.5 3,-1.4 -25,-0.2 -1,-0.2 0.205 48.5 103.6-109.3 11.5 12.0 22.5 21.1 82 84 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -24,-0.1 -24,-0.1 0.694 74.4 59.8 -72.8 -17.4 13.5 25.5 19.4 83 85 A Q T 3 S+ 0 0 34 -26,-0.5 -1,-0.3 -3,-0.2 -25,-0.1 0.514 78.8 130.1 -86.8 -2.4 10.8 25.7 16.8 84 86 A V < - 0 0 16 -3,-1.4 2,-0.9 -27,-0.2 -24,-0.2 -0.162 57.2-137.3 -55.7 140.8 8.2 26.1 19.5 85 87 A A E -q 60 0D 16 -26,-2.6 -24,-0.8 0, 0.0 -1,-0.1 -0.723 23.0-152.7-104.2 83.0 5.7 29.0 19.1 86 88 A W E -q 61 0D 132 -2,-0.9 2,-0.2 -26,-0.2 -24,-0.2 -0.235 8.5-159.9 -58.6 133.0 5.4 30.5 22.6 87 89 A Q - 0 0 38 -26,-2.7 3,-0.1 3,-0.0 -1,-0.1 -0.580 18.6-161.1-100.5 170.0 2.2 32.3 23.5 88 90 A S S S+ 0 0 117 -2,-0.2 2,-0.2 -26,-0.1 -26,-0.1 -0.438 74.4 70.0-142.4 64.0 1.5 34.9 26.2 89 91 A K S S+ 0 0 163 1,-0.4 -1,-0.1 27,-0.1 2,-0.1 -0.676 92.3 8.7 177.1 114.4 -2.2 34.5 26.3 90 92 A G S S- 0 0 37 -2,-0.2 -1,-0.4 25,-0.1 2,-0.3 -0.231 81.2 -88.7 88.0 174.3 -4.2 31.5 27.6 91 93 A D - 0 0 112 22,-0.4 22,-0.2 -3,-0.1 24,-0.1 -0.804 45.2 -76.3-123.1 162.9 -2.8 28.5 29.5 92 94 A T - 0 0 14 -30,-0.3 -81,-0.1 -2,-0.3 -31,-0.1 -0.326 53.1-119.4 -54.4 127.0 -1.3 25.1 28.7 93 95 A P + 0 0 8 0, 0.0 -81,-1.4 0, 0.0 2,-0.3 -0.110 36.7 177.7 -60.9 170.6 -4.1 22.6 27.7 94 96 A S E -jK 12 111B 5 17,-1.2 17,-2.8 -83,-0.2 2,-0.3 -0.928 10.4-160.8-172.1 151.8 -4.5 19.5 29.8 95 97 A S E -jK 13 110B 3 -83,-2.3 -81,-2.5 -2,-0.3 2,-0.5 -0.945 23.7-115.5-139.3 158.5 -6.9 16.6 29.9 96 98 A C E -jK 14 109B 2 13,-2.8 13,-2.4 -2,-0.3 2,-0.6 -0.855 29.8-162.9 -93.6 131.2 -8.0 13.9 32.3 97 99 A C E -jK 15 108B 0 -83,-2.2 -81,-2.9 -2,-0.5 2,-0.9 -0.915 7.5-168.5-123.3 101.6 -7.0 10.4 31.1 98 100 A I E -jK 16 107B 4 9,-2.5 9,-2.9 -2,-0.6 2,-0.6 -0.830 10.3-168.5 -87.0 106.6 -8.8 7.5 32.6 99 101 A I E -jK 17 106B 0 -83,-2.6 -81,-2.5 -2,-0.9 2,-0.7 -0.887 15.4-140.2 -99.3 120.1 -6.8 4.4 31.6 100 102 A N E >> -j 18 0B 7 5,-3.3 4,-1.3 -2,-0.6 3,-0.6 -0.730 5.6-154.7 -86.3 114.4 -8.6 1.2 32.3 101 103 A N T 34 S+ 0 0 59 -83,-3.1 -82,-0.2 -2,-0.7 -1,-0.1 0.574 86.6 62.8 -68.8 -10.2 -6.1 -1.3 33.5 102 104 A S T 34 S+ 0 0 77 -84,-0.4 -1,-0.3 1,-0.1 147,-0.1 -0.309 126.9 4.0-109.3 47.7 -8.2 -4.3 32.4 103 105 A N T <4 S- 0 0 57 -3,-0.6 146,-0.3 145,-0.6 -2,-0.2 0.294 95.8-112.2 156.0 3.3 -8.2 -3.6 28.6 104 106 A G < + 0 0 0 -4,-1.3 147,-2.3 144,-0.4 145,-0.2 0.636 58.5 161.5 55.3 17.2 -5.9 -0.6 28.2 105 107 A N - 0 0 40 -5,-0.5 -5,-3.3 143,-0.2 2,-0.5 -0.439 25.3-154.6 -63.8 136.6 -8.9 1.5 27.2 106 108 A R E -K 99 0B 38 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.968 8.1-167.3-124.8 118.6 -8.1 5.2 27.5 107 109 A T E -K 98 0B 2 -9,-2.9 -9,-2.5 -2,-0.5 2,-0.5 -0.907 11.5-159.1-104.6 129.3 -10.9 7.7 28.0 108 110 A I E -Kl 97 329B 15 220,-3.3 222,-3.1 -2,-0.5 2,-0.6 -0.943 21.0-174.5-120.9 127.5 -10.0 11.4 27.6 109 111 A V E -Kl 96 330B 2 -13,-2.4 -13,-2.8 -2,-0.5 2,-0.4 -0.952 26.6-159.6-108.7 105.7 -11.6 14.6 28.8 110 112 A L E -Kl 95 331B 36 220,-3.8 222,-2.1 -2,-0.6 2,-0.9 -0.716 15.1-151.3 -93.7 133.7 -9.6 17.4 27.2 111 113 A H E -K 94 0B 40 -17,-2.8 -17,-1.2 -2,-0.4 2,-0.4 -0.869 16.3-163.7 -99.3 100.5 -9.5 21.0 28.4 112 114 A D - 0 0 34 -2,-0.9 -20,-0.1 220,-0.3 3,-0.1 -0.726 0.6-162.6 -84.5 137.3 -8.9 23.1 25.3 113 115 A T - 0 0 8 -2,-0.4 2,-2.9 -22,-0.2 -22,-0.4 -0.076 33.6-113.6-120.2 32.7 -7.7 26.5 26.3 114 116 A S + 0 0 116 1,-0.2 -1,-0.1 -24,-0.1 -24,-0.1 -0.421 59.0 157.5 69.1 -70.1 -8.1 28.9 23.3 115 117 A L - 0 0 13 -2,-2.9 -1,-0.2 -24,-0.1 -25,-0.1 0.648 54.8 -97.4 12.6 107.7 -4.3 29.3 23.1 116 118 A P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.003 37.0-118.7 -48.2 144.4 -3.7 30.3 19.5 117 119 A D - 0 0 58 1,-0.1 2,-0.2 -58,-0.1 -58,-0.1 -0.488 39.0 -88.6 -77.4 154.6 -2.7 27.6 17.1 118 120 A V - 0 0 9 -2,-0.1 2,-0.2 -60,-0.1 22,-0.2 -0.492 55.4-145.3 -61.6 132.6 0.7 27.8 15.3 119 121 A S > - 0 0 27 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.691 26.0-106.1-109.0 156.7 0.0 29.8 12.1 120 122 A A H > S+ 0 0 9 1,-0.3 4,-3.6 -2,-0.2 5,-0.1 0.818 125.6 53.7 -44.2 -34.5 1.4 29.8 8.6 121 123 A T H > S+ 0 0 87 2,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.955 105.9 48.6 -63.0 -54.1 3.2 32.9 9.7 122 124 A D H 4 S+ 0 0 40 1,-0.2 3,-0.4 -3,-0.2 -2,-0.2 0.875 120.0 41.8 -52.8 -35.4 4.8 31.1 12.7 123 125 A F H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 -2,-0.3 0.879 97.2 73.7 -81.8 -39.6 5.6 28.5 10.2 124 126 A E H 3< S+ 0 0 108 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 96.1 56.3 -44.6 -25.0 6.7 30.9 7.4 125 127 A K T 3< S+ 0 0 156 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.023 79.8 114.7-104.9 27.5 9.8 31.4 9.5 126 128 A V < - 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