==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 16-SEP-05 2B20 . COMPND 2 MOLECULE: ENTEROCHELIN ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A STR. 2457T; . AUTHOR Y.KIM,N.MALTSEVA,I.DEMENTIEVA,P.QUARTEY,D.HOLZLE,F.COLLART, . 391 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 1 1 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 1 1 1 0 1 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 . 0 0 1 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 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 A 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.4 -5.6 6.0 101.9 2 4 A L + 0 0 151 2,-0.1 2,-0.6 6,-0.0 3,-0.0 -0.259 360.0 150.0-137.3 42.0 -2.9 5.7 99.1 3 5 A K > - 0 0 163 1,-0.1 3,-2.4 2,-0.0 6,-0.4 -0.717 61.3-103.6 -72.7 119.1 -4.8 7.4 96.2 4 6 A V T 3 S+ 0 0 79 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 -0.227 103.6 13.0 -48.2 127.7 -1.9 8.9 94.2 5 7 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 66,-0.1 67,-0.2 0.358 93.9 128.4 89.3 -7.0 -1.8 12.6 94.8 6 8 A S S <> S- 0 0 30 -3,-2.4 4,-2.4 1,-0.1 -1,-0.3 -0.380 73.0-109.8 -72.9 159.5 -4.1 12.7 97.8 7 9 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.891 120.4 52.6 -60.1 -43.1 -3.0 14.4 100.9 8 10 A S H > S+ 0 0 47 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.876 109.8 51.2 -61.1 -34.5 -2.6 11.2 102.8 9 11 A W H >4 S+ 0 0 27 -6,-0.4 3,-0.9 1,-0.2 4,-0.4 0.904 107.8 50.6 -68.7 -45.6 -0.4 9.9 99.9 10 12 A W H >< S+ 0 0 4 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.871 102.6 62.4 -60.8 -37.6 1.8 13.0 100.0 11 13 A Q H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 100.2 52.9 -58.1 -29.0 2.3 12.6 103.7 12 14 A S T << S+ 0 0 69 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.535 91.0 93.7 -85.9 -4.9 3.9 9.2 103.2 13 15 A K < + 0 0 25 -3,-1.6 4,-0.0 -4,-0.4 -3,-0.0 -0.758 43.4 168.0 -89.6 132.4 6.4 10.8 100.7 14 16 A H - 0 0 130 1,-0.5 -1,-0.1 -2,-0.4 -3,-0.1 -0.188 61.5 -62.5-136.2 39.8 9.7 11.9 102.3 15 17 A G S S- 0 0 4 111,-0.2 -1,-0.5 112,-0.1 2,-0.2 -0.740 96.0 -7.3 108.7-161.2 11.9 12.6 99.4 16 18 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 14,-0.2 -0.464 58.6-156.1 -73.9 138.7 13.2 10.3 96.6 17 19 A E E -A 29 0A 79 12,-1.5 12,-3.0 -2,-0.2 2,-0.3 -0.699 12.2-164.0-103.5 165.8 12.5 6.6 96.7 18 20 A W E -A 28 0A 101 -2,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.981 17.3-158.7-156.8 139.2 14.6 4.0 95.0 19 21 A Q E -A 27 0A 152 8,-2.1 8,-3.2 -2,-0.3 -2,-0.0 -0.968 33.1-114.0-119.6 134.9 14.7 0.3 93.8 20 22 A R E -A 26 0A 102 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.340 22.7-171.3 -65.1 140.2 17.9 -1.6 93.1 21 23 A L - 0 0 83 4,-3.3 2,-0.2 1,-0.4 5,-0.2 0.826 64.2 -43.6 -91.5 -47.0 18.4 -2.6 89.5 22 24 A N S S- 0 0 81 3,-1.7 -1,-0.4 0, 0.0 60,-0.1 -0.792 83.6 -53.6-164.7-164.4 21.5 -4.8 90.0 23 25 A D S S+ 0 0 131 -2,-0.2 59,-0.1 1,-0.2 3,-0.0 0.874 133.2 26.7 -63.2 -36.3 24.8 -4.8 91.9 24 26 A E S S+ 0 0 132 57,-0.1 58,-1.5 1,-0.1 2,-0.4 0.586 114.4 61.8-103.0 -13.4 26.0 -1.5 90.6 25 27 A X E - B 0 81A 39 56,-0.2 -4,-3.3 57,-0.1 -3,-1.7 -0.932 48.9-171.0-132.6 145.0 22.8 0.5 89.8 26 28 A F E -AB 20 80A 13 54,-2.2 54,-1.9 -2,-0.4 2,-0.6 -0.944 22.5-133.5-126.6 144.4 19.7 1.9 91.4 27 29 A E E -AB 19 79A 78 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.5 -0.898 27.5-166.0 -97.8 121.9 16.6 3.4 90.0 28 30 A V E -AB 18 78A 0 50,-3.0 50,-2.1 -2,-0.6 2,-0.4 -0.939 4.1-164.3-114.8 127.4 15.8 6.6 91.8 29 31 A T E -AB 17 77A 20 -12,-3.0 -12,-1.5 -2,-0.5 2,-0.4 -0.913 3.0-163.4-112.4 140.8 12.4 8.4 91.6 30 32 A F E - B 0 76A 0 46,-3.2 46,-1.6 -2,-0.4 2,-0.3 -0.921 2.9-161.3-121.3 144.3 11.7 12.0 92.7 31 33 A W E - B 0 75A 27 -2,-0.4 2,-0.4 44,-0.2 44,-0.2 -0.944 7.1-172.4-125.3 150.4 8.4 13.7 93.3 32 34 A W E - B 0 74A 13 42,-2.2 42,-2.7 -2,-0.3 2,-0.5 -0.987 15.3-144.9-139.0 132.1 7.3 17.3 93.6 33 35 A R E - B 0 73A 77 -2,-0.4 40,-0.2 40,-0.2 -2,-0.0 -0.822 17.3-134.9 -93.9 129.5 3.9 18.5 94.6 34 36 A D > - 0 0 2 38,-2.7 3,-2.1 -2,-0.5 2,-2.0 -0.765 4.2-146.8 -86.3 116.9 2.6 21.6 92.9 35 37 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.048 96.0 59.2 -74.8 41.4 1.2 24.0 95.4 36 38 A Q T 3 S- 0 0 75 -2,-2.0 2,-0.2 1,-0.3 5,-0.0 0.343 102.3-127.9-142.6 -5.8 -1.3 25.1 92.6 37 39 A G < + 0 0 25 -3,-2.1 -1,-0.3 35,-0.1 34,-0.1 -0.542 58.0 3.1 93.3-155.8 -3.0 21.7 91.9 38 40 A S S >> S- 0 0 13 32,-0.2 4,-2.7 -2,-0.2 3,-0.9 -0.018 84.7 -88.9 -63.2 168.0 -3.5 20.0 88.5 39 41 A E T 34 S+ 0 0 88 32,-0.4 -1,-0.1 1,-0.3 33,-0.1 0.764 126.0 61.7 -50.4 -27.2 -2.2 21.2 85.1 40 42 A E T 34 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.911 113.4 29.6 -68.0 -47.4 -5.4 23.2 84.8 41 43 A Y T <4 S+ 0 0 168 -3,-0.9 -2,-0.2 -5,-0.0 -1,-0.2 0.718 108.1 85.4 -87.0 -23.8 -5.0 25.4 87.9 42 44 A S < - 0 0 16 -4,-2.7 -4,-0.1 1,-0.1 -5,-0.0 -0.280 56.0-160.5 -81.8 170.5 -1.2 25.5 87.8 43 45 A T + 0 0 57 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.266 57.9 109.9-131.9 0.5 1.0 27.9 85.8 44 46 A I + 0 0 25 1,-0.1 50,-0.3 52,-0.0 3,-0.1 -0.626 36.2 175.3 -80.3 137.1 4.2 25.8 86.0 45 47 A K + 0 0 111 48,-2.9 2,-0.4 1,-0.4 49,-0.2 0.703 65.1 28.4-114.6 -33.5 5.3 24.2 82.7 46 48 A R E -D 93 0B 78 47,-2.0 47,-2.9 49,-0.3 2,-0.4 -0.986 51.2-169.6-126.3 142.2 8.7 22.7 83.5 47 49 A V E -D 92 0B 0 18,-0.4 18,-3.1 -2,-0.4 2,-0.2 -0.961 21.7-160.6-121.2 113.5 10.1 21.3 86.7 48 50 A W E -DE 91 64B 8 43,-2.0 43,-2.0 -2,-0.4 2,-0.6 -0.625 8.6-143.1 -92.2 148.1 13.8 20.6 86.1 49 51 A V E -D 90 0B 2 14,-0.8 2,-0.6 -2,-0.2 41,-0.2 -0.957 14.8-168.7-113.2 121.4 15.9 18.3 88.3 50 52 A Y E -D 89 0B 9 39,-2.3 39,-2.0 -2,-0.6 2,-0.6 -0.935 1.4-167.9-113.1 117.9 19.4 19.4 89.0 51 53 A I E >> -D 88 0B 3 -2,-0.6 4,-1.6 37,-0.2 5,-0.5 -0.923 20.0-136.1-112.4 117.8 21.7 16.9 90.6 52 54 A T T 45S+ 0 0 7 35,-2.5 4,-0.4 -2,-0.6 -1,-0.1 0.779 96.9 27.5 -43.5 -60.8 25.0 18.4 91.8 53 55 A G T 45S+ 0 0 7 34,-0.3 -1,-0.3 317,-0.1 35,-0.1 0.868 132.8 32.6 -68.5 -31.5 27.6 15.9 90.6 54 56 A V T >>5S+ 0 0 16 -3,-0.5 3,-1.6 1,-0.1 4,-0.6 0.968 99.0 61.4 -97.2 -65.2 25.6 14.7 87.7 55 57 A T G ><5S+ 0 0 14 -4,-1.6 3,-0.7 1,-0.3 4,-0.3 0.756 99.0 61.6 -51.4 -34.6 23.3 16.9 85.8 56 58 A D G 34 - 0 0 68 5,-2.5 3,-1.7 -2,-0.3 5,-0.5 -0.791 43.5-109.0 -79.8 117.2 0.5 13.1 86.3 69 72 A A T 3 S+ 0 0 80 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 -0.157 96.7 13.9 -51.4 133.2 -2.6 14.5 84.6 70 73 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -33,-0.0 2,-0.2 0.528 114.1 84.6 76.8 6.3 -5.4 15.7 87.0 71 74 A T S < S- 0 0 29 -3,-1.7 -32,-0.4 2,-0.2 -1,-0.3 -0.748 83.1-120.3-125.7 179.4 -3.1 15.7 90.0 72 75 A D S S+ 0 0 19 -2,-0.2 -38,-2.7 -67,-0.2 2,-0.5 0.033 74.8 122.6-103.2 20.5 -0.6 18.0 91.6 73 76 A V E -B 33 0A 0 -5,-0.5 -5,-2.5 -40,-0.2 2,-0.5 -0.772 41.1-172.1-100.0 124.4 2.1 15.3 91.2 74 77 A W E -BC 32 67A 13 -42,-2.7 -42,-2.2 -2,-0.5 2,-0.3 -0.959 13.7-168.7-115.3 129.7 5.4 15.8 89.3 75 78 A Q E +BC 31 66A 71 -9,-2.4 -9,-2.4 -2,-0.5 2,-0.3 -0.826 13.8 170.0-120.9 150.9 7.5 12.8 88.7 76 79 A W E -B 30 0A 21 -46,-1.6 -46,-3.2 -2,-0.3 2,-0.3 -0.927 9.6-165.7-162.8 140.9 11.0 12.1 87.5 77 80 A T E +B 29 0A 52 -2,-0.3 2,-0.3 -48,-0.2 -48,-0.2 -0.892 16.0 146.3-130.9 150.9 13.2 9.0 87.4 78 81 A T E -B 28 0A 28 -50,-2.1 -50,-3.0 -2,-0.3 2,-0.4 -0.921 36.6-100.9-161.8-170.7 16.9 8.2 86.9 79 82 A Q E +B 27 0A 83 -2,-0.3 2,-0.3 -52,-0.3 -52,-0.2 -0.971 27.1 179.8-129.1 144.2 19.7 5.9 87.9 80 83 A L E -B 26 0A 4 -54,-1.9 -54,-2.2 -2,-0.4 2,-0.2 -0.983 35.5 -96.6-142.5 156.1 22.6 6.2 90.2 81 84 A N E > -B 25 0A 58 -2,-0.3 3,-3.4 -56,-0.2 -56,-0.2 -0.433 37.6-114.5 -76.8 138.2 25.5 4.0 91.3 82 85 A A T 3 S+ 0 0 6 -58,-1.5 63,-3.3 1,-0.3 64,-0.2 0.595 115.7 45.4 -51.9 -11.0 25.0 2.1 94.6 83 86 A N T 3 S+ 0 0 69 -59,-0.3 -1,-0.3 62,-0.2 2,-0.1 0.344 85.9 120.4-115.5 1.3 27.8 4.1 96.2 84 87 A W < + 0 0 13 -3,-3.4 59,-3.4 62,-0.2 2,-0.3 -0.421 33.0 174.5 -69.7 141.2 26.8 7.6 95.0 85 88 A R E + F 0 142B 29 283,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.981 22.1 104.5-141.2 145.7 26.0 10.4 97.4 86 89 A G E - F 0 141B 2 55,-2.7 55,-1.5 -2,-0.3 2,-0.3 -0.967 55.2 -76.1 175.7-156.7 25.3 14.0 96.7 87 90 A S E - F 0 140B 3 -2,-0.3 -35,-2.5 53,-0.2 -34,-0.3 -0.938 28.6-173.3-136.2 151.6 22.6 16.6 96.5 88 91 A Y E -DF 51 139B 0 51,-1.2 51,-2.9 -2,-0.3 35,-0.3 -0.846 3.3-164.3-132.2 168.9 19.8 17.7 94.1 89 92 A C E -D 50 0B 0 -39,-2.0 -39,-2.3 -2,-0.3 2,-0.3 -0.945 16.8-126.6-145.5 166.7 17.3 20.5 93.8 90 93 A F E -DG 49 121B 0 31,-2.6 31,-3.1 -2,-0.3 -41,-0.2 -0.874 9.6-160.5-110.8 152.9 14.1 21.2 91.8 91 94 A I E -D 48 0B 0 -43,-2.0 -43,-2.0 -2,-0.3 2,-0.3 -0.783 8.8-170.4-129.3 85.0 13.4 24.2 89.6 92 95 A P E +D 47 0B 18 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 -0.667 19.1 176.1 -73.4 136.0 9.7 24.6 89.0 93 96 A T E -D 46 0B 3 -47,-2.9 -48,-2.9 -2,-0.3 -47,-2.0 -0.991 43.4-154.8-147.6 147.0 9.2 27.2 86.3 94 97 A E S S+ 0 0 96 -2,-0.3 2,-0.1 -50,-0.3 -1,-0.1 0.733 81.9 86.7 -90.7 -28.5 6.5 28.9 84.2 95 98 A R + 0 0 108 1,-0.1 -49,-0.3 -49,-0.1 -50,-0.2 -0.447 51.4 175.8 -64.3 139.7 9.0 29.7 81.5 96 99 A D + 0 0 59 -2,-0.1 3,-0.5 -51,-0.1 -1,-0.1 0.381 62.2 76.8-133.6 6.0 9.4 26.9 79.0 97 100 A D > + 0 0 87 1,-0.2 3,-2.8 2,-0.1 4,-0.3 0.718 68.2 94.3 -81.2 -22.0 11.8 28.2 76.3 98 101 A I T 3 S+ 0 0 12 1,-0.3 -1,-0.2 2,-0.1 18,-0.1 0.439 106.7 12.6 -66.4 -2.1 14.8 27.7 78.6 99 102 A F T 3 S+ 0 0 9 -3,-0.5 -1,-0.3 -38,-0.0 -2,-0.1 -0.104 91.3 132.1-152.3 42.1 15.7 24.3 77.1 100 103 A S < + 0 0 78 -3,-2.8 -2,-0.1 2,-0.1 -3,-0.1 0.940 50.4 74.0 -58.6 -57.9 13.4 24.5 74.1 101 104 A A S S- 0 0 45 -4,-0.3 2,-2.6 1,-0.1 -1,-0.1 -0.483 81.8-136.4 -69.0 109.5 15.8 23.4 71.4 102 105 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.342 82.7 40.3 -75.4 67.3 16.2 19.6 71.7 103 106 A S S S+ 0 0 78 -2,-2.6 2,-0.1 2,-0.1 -4,-0.0 0.412 75.1 178.9-119.6 -80.4 20.0 19.2 71.2 104 107 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 0.567 23.0-119.0 -96.9-129.9 21.8 21.4 72.6 105 108 A D >> - 0 0 82 -2,-0.1 4,-1.8 1,-0.0 3,-0.6 -0.971 32.8-108.3-134.9 153.9 25.5 22.4 73.1 106 109 A R H 3> S+ 0 0 131 -2,-0.3 4,-1.0 1,-0.3 5,-0.1 0.539 119.4 50.3 -64.3 -5.5 27.7 22.8 76.2 107 110 A L H 3> S+ 0 0 98 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.816 107.6 50.4 -94.1 -41.8 27.7 26.6 75.8 108 111 A E H <> S+ 0 0 69 -3,-0.6 4,-2.1 2,-0.1 -2,-0.2 0.773 112.5 55.7 -61.4 -25.9 23.9 26.9 75.4 109 112 A L H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.998 102.5 45.1 -70.8 -74.2 23.8 24.7 78.6 110 113 A R H X S+ 0 0 134 -4,-1.0 4,-1.8 1,-0.2 -2,-0.1 0.826 116.8 54.8 -39.1 -39.0 25.9 26.6 81.3 111 114 A E H X S+ 0 0 112 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.991 110.1 41.3 -51.8 -71.6 23.9 29.5 79.9 112 115 A G H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.839 115.8 48.8 -50.6 -46.6 20.4 28.0 80.5 113 116 A W H X S+ 0 0 16 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.920 110.2 51.8 -61.8 -45.7 21.2 26.4 83.9 114 117 A R H < S+ 0 0 171 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.902 108.9 51.9 -56.5 -45.2 22.7 29.7 85.2 115 118 A K H < S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 118.4 37.4 -54.7 -42.0 19.5 31.4 84.0 116 119 A L H >< S+ 0 0 1 -4,-1.6 3,-2.6 1,-0.2 4,-0.3 0.845 93.5 77.8 -86.2 -39.9 17.4 28.9 86.0 117 120 A L G >< S+ 0 0 22 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.705 82.3 69.4 -52.9 -32.8 19.3 28.1 89.3 118 121 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.858 102.3 48.4 -45.0 -38.8 18.2 31.4 91.0 119 122 A Q G < S+ 0 0 94 -3,-2.6 -2,-0.2 -4,-0.2 -3,-0.1 0.448 86.9 126.7 -85.0 -1.6 14.7 29.8 91.0 120 123 A A < - 0 0 15 -3,-1.6 17,-0.5 -4,-0.3 2,-0.3 -0.282 38.7-168.8 -60.3 140.1 15.9 26.5 92.4 121 124 A I B -G 90 0B 58 -31,-3.1 -31,-2.6 15,-0.1 18,-0.1 -0.917 23.4-113.8-122.4 152.0 14.2 25.1 95.5 122 125 A A - 0 0 20 -2,-0.3 -33,-0.1 -33,-0.2 16,-0.1 -0.362 51.2 -83.0 -71.7 166.3 15.2 22.2 97.8 123 126 A D > - 0 0 2 -35,-0.3 3,-0.9 1,-0.2 17,-0.1 -0.653 40.2-150.8 -72.5 113.8 13.0 19.2 97.9 124 127 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -92,-0.1 0.618 90.8 47.7 -68.1 -10.4 10.3 20.3 100.4 125 128 A L T 3 S+ 0 0 56 -94,-0.2 -2,-0.0 3,-0.1 -93,-0.0 0.595 86.7 95.5-102.5 -13.1 9.6 16.7 101.5 126 129 A N S < S- 0 0 16 -3,-0.9 -111,-0.2 1,-0.1 -112,-0.0 -0.681 73.5-141.0 -80.5 121.0 13.2 15.6 102.0 127 130 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.527 82.6 66.1 -68.1 -0.2 14.0 16.1 105.7 128 131 A Q + 0 0 68 12,-0.1 12,-1.5 -5,-0.1 2,-0.3 -0.867 61.5 143.4-130.3 105.4 17.5 17.4 104.9 129 132 A S E +H 139 0B 54 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.918 10.2 157.4-140.0 159.9 18.2 20.6 103.1 130 133 A W E -H 138 0B 15 8,-1.8 8,-2.9 -2,-0.3 2,-0.6 -0.962 50.1 -68.8-163.9 172.2 20.6 23.5 103.0 131 134 A K E -H 137 0B 138 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.711 61.3-127.9 -75.2 119.0 22.2 26.3 101.0 132 135 A G > - 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