==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-DEC-09 3KXQ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 474 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 4 2 2 4 0 0 2 2 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 4 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 5 A I 0 0 114 0, 0.0 192,-0.0 0, 0.0 191,-0.0 0.000 360.0 360.0 360.0 124.4 6.7 12.0 24.5 2 6 A R - 0 0 127 1,-0.1 31,-0.1 31,-0.0 214,-0.1 -0.590 360.0-119.8 -74.9 128.8 10.4 12.9 25.1 3 7 A P - 0 0 25 0, 0.0 31,-2.3 0, 0.0 2,-0.4 -0.264 24.3-154.0 -72.4 156.0 11.4 12.7 28.8 4 8 A F E -ab 34 217A 0 212,-2.3 214,-1.2 29,-0.2 2,-0.6 -0.987 9.5-165.5-139.7 119.3 12.6 15.7 30.6 5 9 A I E -ab 35 218A 0 29,-2.9 31,-2.6 -2,-0.4 2,-0.5 -0.932 14.2-172.8-112.4 111.7 14.9 15.9 33.6 6 10 A A E -ab 36 219A 0 212,-2.8 214,-3.0 -2,-0.6 2,-0.4 -0.904 8.2-158.7-108.1 129.4 14.9 19.3 35.4 7 11 A G E -ab 37 220A 0 29,-3.1 31,-3.1 -2,-0.5 2,-0.6 -0.914 0.8-161.2-106.1 133.2 17.2 20.2 38.2 8 12 A N E -a 38 0A 1 212,-3.0 216,-0.2 -2,-0.4 31,-0.1 -0.940 6.6-173.3-115.4 105.9 16.3 23.0 40.6 9 13 A W - 0 0 6 29,-2.0 298,-0.2 -2,-0.6 30,-0.1 0.617 22.9-168.8 -70.9 -15.3 19.4 24.3 42.4 10 14 A K - 0 0 39 28,-0.4 2,-1.6 1,-0.2 -1,-0.2 -0.255 65.4 -11.6 54.3-141.4 17.1 26.6 44.6 11 15 A M B S+I 307 0B 0 296,-1.9 296,-1.9 -3,-0.1 2,-0.3 -0.415 115.1 99.7 -90.9 64.5 19.2 29.1 46.6 12 16 A N + 0 0 34 -2,-1.6 294,-0.1 294,-0.2 -3,-0.1 -0.989 46.4 71.8-142.5 137.7 22.5 27.4 45.9 13 17 A G + 0 0 10 -2,-0.3 2,-0.2 26,-0.1 29,-0.1 0.166 32.5 171.0 125.7 124.3 25.2 28.3 43.3 14 18 A T > - 0 0 29 29,-0.1 3,-2.3 306,-0.0 4,-0.3 -0.750 60.4 -73.2-132.7-174.5 27.9 30.9 42.8 15 19 A G G > S+ 0 0 19 1,-0.3 3,-1.4 -2,-0.2 4,-0.3 0.812 129.3 64.8 -50.0 -33.4 30.8 31.4 40.3 16 20 A E G 3 S+ 0 0 147 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.699 95.9 59.8 -64.0 -17.8 32.6 28.6 42.3 17 21 A S G <> S+ 0 0 32 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.444 74.4 94.2 -91.2 -2.0 29.8 26.2 41.2 18 22 A L H <> S+ 0 0 34 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.859 80.5 57.3 -65.2 -35.1 30.4 26.6 37.4 19 23 A G H > S+ 0 0 54 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.944 107.7 46.9 -57.4 -44.4 32.7 23.5 37.4 20 24 A E H > S+ 0 0 60 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.918 110.8 52.5 -66.9 -37.8 30.0 21.3 38.8 21 25 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.924 108.6 50.8 -62.1 -46.0 27.5 22.8 36.3 22 26 A R H X S+ 0 0 138 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.877 105.8 55.8 -55.4 -37.9 29.9 22.0 33.5 23 27 A A H X S+ 0 0 41 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.862 107.7 49.1 -67.1 -35.7 30.2 18.4 34.8 24 28 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 3,-0.4 0.966 112.8 47.1 -65.1 -50.2 26.4 18.1 34.6 25 29 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.883 111.4 50.7 -58.1 -41.6 26.4 19.4 31.0 26 30 A A H < S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 104.9 57.0 -70.2 -28.5 29.3 17.1 30.0 27 31 A G H < S+ 0 0 47 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.775 114.2 38.9 -71.6 -27.1 27.5 14.0 31.4 28 32 A I H < 0 0 26 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.756 360.0 360.0 -87.4 -34.8 24.5 14.8 29.1 29 33 A S < 0 0 100 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.892 360.0 360.0 -65.1 360.0 26.6 15.8 26.2 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 38 A R 0 0 116 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -48.7 20.1 11.1 23.6 32 39 A L + 0 0 58 -30,-0.0 2,-0.3 2,-0.0 206,-0.0 0.547 360.0 36.8 -91.5 -6.5 16.7 9.8 24.7 33 40 A F S S- 0 0 27 -31,-0.1 2,-0.3 -29,-0.0 -29,-0.2 -0.849 72.4-123.2-138.5 166.4 15.8 12.7 27.2 34 41 A E E -a 4 0A 45 -31,-2.3 -29,-2.9 -2,-0.3 2,-0.4 -0.868 23.6-153.2-108.1 150.1 16.3 16.5 27.6 35 42 A A E -a 5 0A 3 -2,-0.3 22,-2.5 20,-0.2 2,-0.3 -0.982 11.1-176.1-126.6 141.3 18.0 17.9 30.7 36 43 A L E -ac 6 57A 0 -31,-2.6 -29,-3.1 -2,-0.4 2,-0.5 -0.991 9.5-163.1-134.4 138.2 17.5 21.4 32.3 37 44 A I E -ac 7 58A 0 20,-2.3 22,-2.2 -2,-0.3 2,-0.7 -0.995 8.8-155.4-121.2 125.4 19.3 23.1 35.2 38 45 A C E -ac 8 59A 0 -31,-3.1 -29,-2.0 -2,-0.5 -28,-0.4 -0.882 21.0-174.6-101.3 106.0 17.6 26.1 36.8 39 46 A V - 0 0 1 20,-1.5 22,-0.2 -2,-0.7 -26,-0.1 -0.486 35.4 -78.8 -97.4 163.4 20.3 28.2 38.5 40 47 A P >> - 0 0 2 0, 0.0 3,-2.1 0, 0.0 4,-1.0 -0.375 43.8-114.3 -60.5 150.9 20.0 31.3 40.7 41 48 A A T 34 S+ 0 0 15 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.784 115.3 61.7 -58.5 -32.1 19.4 34.5 38.7 42 49 A T T 34 S+ 0 0 3 1,-0.2 241,-0.3 2,-0.1 -1,-0.3 0.729 110.2 40.5 -61.2 -27.3 22.7 35.9 39.8 43 50 A L T <> S+ 0 0 0 -3,-2.1 4,-2.6 1,-0.1 3,-0.2 0.538 88.0 94.7 -99.3 -12.8 24.5 32.9 38.0 44 51 A L H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.4 5,-0.2 0.879 83.9 46.8 -56.1 -48.7 22.4 32.7 34.9 45 52 A S H > S+ 0 0 5 -4,-0.5 4,-2.0 235,-0.3 -1,-0.2 0.903 115.2 46.7 -62.5 -39.3 24.5 34.8 32.5 46 53 A R H > S+ 0 0 30 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.862 110.7 53.3 -70.7 -35.7 27.8 33.1 33.5 47 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.915 110.2 47.7 -60.3 -44.0 26.1 29.7 33.2 48 55 A F H X S+ 0 0 92 -4,-2.5 4,-2.9 35,-0.3 5,-0.2 0.885 104.9 60.5 -66.2 -38.2 25.1 30.7 29.6 49 56 A D H < S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.8 30.9 -57.4 -36.0 28.6 31.9 28.9 50 57 A I H < S+ 0 0 50 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.782 135.4 25.2 -93.3 -29.0 30.0 28.4 29.5 51 58 A L H >< S+ 0 0 5 -4,-2.4 3,-3.2 -5,-0.2 -3,-0.2 0.491 85.0 105.1-114.4 -8.7 27.1 26.2 28.5 52 59 A G T 3< S+ 0 0 36 -4,-2.9 -3,-0.1 1,-0.3 -1,-0.1 0.766 88.1 44.1 -54.1 -34.2 25.1 28.3 26.0 53 60 A G T 3 S+ 0 0 94 -5,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.281 103.2 90.6 -89.4 8.6 26.4 26.2 23.0 54 61 A E S < S- 0 0 44 -3,-3.2 -3,-0.1 2,-0.2 -28,-0.1 -0.347 87.6-104.9-101.2-179.0 25.9 22.8 24.8 55 62 A N S S+ 0 0 106 -30,-0.2 -20,-0.2 -2,-0.1 -29,-0.1 0.850 87.5 96.7 -76.4 -38.1 23.0 20.3 25.0 56 63 A I S S- 0 0 9 -31,-0.1 2,-0.3 -22,-0.1 -20,-0.2 -0.184 71.4-132.3 -50.6 141.6 21.9 21.2 28.6 57 64 A L E -c 36 0A 36 -22,-2.5 -20,-2.3 29,-0.0 2,-0.4 -0.741 17.1-144.2 -93.3 149.2 19.0 23.6 28.9 58 65 A L E +c 37 0A 7 -2,-0.3 28,-2.9 26,-0.3 29,-1.0 -0.927 22.5 175.7-117.1 139.6 19.3 26.6 31.3 59 66 A G E -cd 38 87A 0 -22,-2.2 -20,-1.5 -2,-0.4 29,-0.2 -0.889 25.5-125.4-139.6 165.6 16.4 28.0 33.4 60 67 A G E - d 0 88A 2 27,-2.3 29,-2.1 -2,-0.3 3,-0.1 -0.544 19.8-131.7-100.0 175.1 15.3 30.4 36.0 61 68 A Q S S- 0 0 10 1,-0.3 31,-0.3 27,-0.2 2,-0.3 0.412 78.3 -11.2-109.6 -5.4 13.4 29.7 39.2 62 69 A N - 0 0 17 28,-0.1 -1,-0.3 249,-0.1 2,-0.3 -0.882 57.8-160.3 178.4 156.4 10.6 32.4 39.1 63 70 A C - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.968 23.5-106.5-147.6 167.1 9.6 35.5 37.2 64 71 A H - 0 0 7 11,-2.0 13,-0.3 -2,-0.3 48,-0.1 -0.354 25.4-119.9 -84.8 169.1 7.4 38.5 37.7 65 72 A F S S+ 0 0 98 -2,-0.1 2,-0.2 47,-0.1 -1,-0.1 0.677 89.7 69.8 -79.9 -22.0 4.0 39.1 36.0 66 73 A D S S- 0 0 50 1,-0.1 11,-0.4 46,-0.0 -2,-0.2 -0.593 79.9-127.3-100.3 162.0 5.1 42.4 34.3 67 74 A D S S- 0 0 54 1,-0.3 2,-0.3 -2,-0.2 11,-0.3 0.828 86.7 -32.2 -71.7 -34.2 7.5 43.1 31.4 68 75 A Y S S+ 0 0 151 184,-0.1 -1,-0.3 7,-0.1 184,-0.2 -0.924 84.9 107.9-170.0 166.8 9.5 45.7 33.5 69 76 A G B -J 251 0C 6 182,-2.1 2,-2.2 -2,-0.3 182,-2.0 -0.880 69.1 -24.3 145.0-167.1 8.6 48.2 36.1 70 77 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 180,-0.1 -0.418 77.7 125.7 -84.3 70.5 8.7 49.4 39.7 71 78 A Y > - 0 0 57 -2,-2.2 3,-2.3 3,-0.1 -2,-0.1 -0.731 51.2-148.6-130.8 76.0 9.2 46.0 41.4 72 79 A T T 3 S+ 0 0 1 -2,-0.4 3,-0.1 1,-0.3 179,-0.0 -0.210 80.8 8.5 -51.6 128.7 12.2 46.1 43.6 73 80 A G T 3 S+ 0 0 26 1,-0.3 2,-0.3 227,-0.1 -1,-0.3 0.440 101.4 119.1 76.4 4.6 14.0 42.8 43.8 74 81 A D < - 0 0 10 -3,-2.3 2,-0.4 225,-0.1 -1,-0.3 -0.737 51.8-144.2-104.5 155.3 11.9 41.1 41.1 75 82 A I - 0 0 20 -2,-0.3 -11,-2.0 -3,-0.1 2,-0.1 -0.941 13.4-137.9-119.0 131.9 13.2 39.6 37.8 76 83 A S > - 0 0 2 -2,-0.4 4,-1.8 -13,-0.2 5,-0.1 -0.430 22.1-117.7 -85.6 158.7 11.2 39.8 34.6 77 84 A A H > S+ 0 0 1 -11,-0.4 4,-2.5 -13,-0.3 5,-0.2 0.857 117.2 57.3 -61.7 -31.8 10.9 37.0 32.1 78 85 A F H > S+ 0 0 78 -11,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.854 104.0 52.1 -68.3 -37.9 12.6 39.2 29.5 79 86 A M H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 110.3 48.2 -62.3 -42.8 15.6 39.5 31.9 80 87 A L H X>S+ 0 0 2 -4,-1.8 5,-2.5 2,-0.2 4,-1.0 0.952 113.3 47.4 -61.3 -50.4 15.8 35.7 32.2 81 88 A K H ><5S+ 0 0 96 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.930 112.4 48.5 -58.4 -46.9 15.6 35.2 28.5 82 89 A E H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.4 54.1 -68.5 -25.8 18.2 37.8 27.7 83 90 A A H 3<5S- 0 0 5 -4,-1.7 -35,-0.3 -5,-0.2 -1,-0.3 0.642 132.1 -90.7 -79.4 -15.2 20.6 36.3 30.3 84 91 A G T <<5S+ 0 0 17 -4,-1.0 -26,-0.3 -3,-0.9 -3,-0.2 0.416 76.9 139.6 120.7 6.6 20.2 32.9 28.6 85 92 A A < + 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.2 -0.499 24.9 179.6 -74.4 143.9 17.3 31.0 30.1 86 93 A S S S+ 0 0 37 -28,-2.9 33,-2.5 -2,-0.2 2,-0.3 0.528 72.1 36.7-109.3 -13.3 14.9 29.0 28.0 87 94 A H E -de 59 119A 11 -29,-1.0 -27,-2.3 31,-0.3 2,-0.3 -0.900 61.7-162.1-136.4 156.7 12.7 27.8 30.8 88 95 A V E -de 60 120A 0 31,-2.0 33,-3.2 -2,-0.3 2,-0.4 -0.982 19.2-131.6-146.6 130.3 11.4 29.1 34.2 89 96 A I E - e 0 121A 0 -29,-2.1 2,-0.4 -2,-0.3 33,-0.2 -0.665 31.6-175.7 -73.1 129.3 10.0 27.4 37.2 90 97 A I E + e 0 122A 1 31,-2.8 33,-2.5 -2,-0.4 -28,-0.1 -0.996 56.5 14.0-133.5 135.2 6.8 29.0 38.3 91 98 A G S S+ 0 0 0 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.688 71.3 176.4 76.0 27.6 4.6 28.3 41.3 92 99 A H >> - 0 0 7 -31,-0.3 4,-2.2 1,-0.1 3,-1.9 -0.251 41.8-116.6 -59.9 142.9 7.0 26.2 43.3 93 100 A S H 3> S+ 0 0 18 1,-0.3 4,-1.7 2,-0.2 5,-0.4 0.791 113.5 64.9 -53.5 -29.5 5.6 25.2 46.7 94 101 A E H 3> S+ 0 0 42 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.776 113.1 33.7 -66.5 -24.2 8.4 27.1 48.4 95 102 A R H <> S+ 0 0 4 -3,-1.9 4,-2.0 3,-0.2 6,-0.9 0.753 110.4 59.7-100.7 -34.2 6.9 30.3 46.9 96 103 A R H < S+ 0 0 30 -4,-2.2 5,-0.5 4,-0.2 4,-0.2 0.920 116.5 37.4 -60.3 -41.1 3.2 29.5 46.9 97 104 A T H >< S+ 0 0 71 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.984 125.1 34.4 -70.2 -67.6 3.4 29.1 50.7 98 105 A V H 3< S+ 0 0 96 -4,-0.8 -3,-0.2 -5,-0.4 -2,-0.2 0.824 130.4 31.7 -64.9 -38.6 5.9 31.8 51.7 99 106 A Y T 3< S- 0 0 27 -4,-2.0 -1,-0.2 -5,-0.1 3,-0.2 0.252 102.9-122.8-103.1 5.3 5.0 34.5 49.1 100 107 A Q < - 0 0 149 -3,-1.0 2,-1.1 -4,-0.2 -4,-0.2 0.904 38.8-177.1 51.8 48.6 1.2 33.6 48.9 101 108 A E - 0 0 9 -6,-0.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.685 10.6-158.0 -78.0 103.8 1.4 33.0 45.2 102 109 A S > - 0 0 53 -2,-1.1 4,-2.7 -3,-0.2 5,-0.2 -0.242 32.7-101.4 -70.1 168.7 -2.2 32.2 44.2 103 110 A D H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.878 126.8 52.7 -58.3 -35.9 -3.2 30.3 41.1 104 111 A A H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.3 48.3 -66.5 -41.6 -4.1 33.7 39.6 105 112 A I H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 112.2 49.6 -63.2 -46.0 -0.6 35.1 40.4 106 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.947 108.6 52.6 -59.9 -46.6 0.9 31.9 38.9 107 114 A R H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 108.5 50.1 -53.9 -45.7 -1.2 32.3 35.7 108 115 A A H X S+ 0 0 30 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.885 110.0 50.9 -64.7 -36.6 -0.0 35.9 35.3 109 116 A K H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.903 108.9 50.8 -64.0 -45.7 3.6 34.8 35.7 110 117 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 108.0 53.6 -56.4 -47.4 3.2 32.0 33.1 111 118 A Q H X S+ 0 0 81 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.911 108.9 48.7 -55.2 -42.6 1.7 34.6 30.7 112 119 A A H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.920 107.8 55.4 -62.9 -41.2 4.8 36.8 31.2 113 120 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.937 108.4 48.1 -57.9 -45.3 7.1 33.8 30.5 114 121 A W H ><5S+ 0 0 52 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.888 105.4 57.4 -65.8 -36.5 5.3 33.2 27.2 115 122 A R H 3<5S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 110.6 44.9 -60.3 -35.5 5.6 36.9 26.2 116 123 A A T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.406 121.5-108.1 -87.0 -1.9 9.4 36.6 26.6 117 124 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.736 70.8 141.5 79.8 24.3 9.5 33.2 24.8 118 125 A L < - 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