==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-05 2BQY . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR T.-C.CHAO,Y.-J.SUN . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.5 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+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 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 0 2 0 0 0 1 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 0 0 0 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 4 A E 0 0 168 0, 0.0 2,-0.6 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -81.4 4.6 61.0 -5.8 2 5 A K + 0 0 16 28,-0.2 2,-0.1 2,-0.1 31,-0.0 -0.229 360.0 115.3 -51.7 96.1 8.4 61.4 -5.4 3 6 A L + 0 0 146 -2,-0.6 -1,-0.1 52,-0.0 0, 0.0 -0.569 49.7 72.6-163.5 89.3 9.4 64.1 -7.9 4 7 A E + 0 0 118 -2,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.257 57.9 171.8-168.4 -39.0 10.7 67.3 -6.3 5 8 A V - 0 0 30 1,-0.1 2,-0.4 2,-0.0 7,-0.1 0.660 17.4-166.3 2.0 126.9 14.2 66.7 -4.9 6 9 A S - 0 0 47 2,-0.1 7,-1.4 1,-0.1 -1,-0.1 -0.975 3.0-171.5-120.6 133.6 16.5 69.4 -3.5 7 10 A H + 0 0 55 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 0.269 35.5 128.9-117.0 13.2 20.1 68.2 -3.0 8 11 A D >> - 0 0 93 3,-0.4 3,-2.7 1,-0.2 4,-0.5 -0.526 61.8-131.1 -71.2 132.1 21.8 71.0 -1.1 9 12 A A T 34 S+ 0 0 11 1,-0.3 76,-2.9 -2,-0.3 -1,-0.2 0.670 111.3 42.4 -56.5 -16.3 23.6 69.7 2.0 10 13 A D T 34 S+ 0 0 72 74,-0.2 -1,-0.3 1,-0.1 74,-0.1 0.286 128.8 27.1-113.1 6.5 21.9 72.5 3.9 11 14 A S T <4 S+ 0 0 25 -3,-2.7 -3,-0.4 95,-0.1 2,-0.3 -0.011 83.0 139.4-156.9 35.1 18.5 72.2 2.3 12 15 A L E < -A 83 0A 0 71,-1.2 71,-3.7 -4,-0.5 2,-0.3 -0.614 47.9-124.5 -86.0 146.6 18.3 68.5 1.2 13 16 A C E -A 82 0A 6 -7,-1.4 2,-0.4 69,-0.3 69,-0.2 -0.733 18.1-157.8 -96.9 141.9 14.9 66.7 1.7 14 17 A V E -A 81 0A 0 67,-2.6 67,-2.4 -2,-0.3 2,-0.8 -0.951 12.8-139.0-118.5 134.3 14.5 63.4 3.7 15 18 A V E -AB 80 53A 1 38,-3.0 38,-1.4 -2,-0.4 2,-0.3 -0.826 24.2-136.6 -94.6 107.6 11.6 61.0 3.2 16 19 A I E + B 0 52A 1 63,-2.3 62,-3.6 -2,-0.8 36,-0.3 -0.466 36.3 161.5 -68.3 122.3 10.6 59.8 6.7 17 20 A E E S+ 0 0 11 34,-3.0 9,-0.7 1,-0.3 2,-0.4 0.576 70.8 36.5-110.4 -21.9 9.9 56.1 6.8 18 21 A I E S- B 0 51A 0 33,-2.8 33,-2.6 7,-0.1 -1,-0.3 -0.999 74.6-142.0-136.3 132.3 10.2 55.8 10.6 19 22 A S > - 0 0 29 -2,-0.4 3,-1.7 5,-0.3 28,-0.2 -0.639 35.7 -89.9 -93.2 152.3 9.1 58.2 13.2 20 23 A K T 3 S+ 0 0 42 1,-0.2 30,-0.1 -2,-0.2 -1,-0.1 -0.281 111.5 17.8 -58.6 142.9 11.0 58.9 16.5 21 24 A H T 3 S+ 0 0 118 26,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.439 97.9 128.3 73.8 1.2 10.1 56.7 19.4 22 25 A S < - 0 0 21 -3,-1.7 25,-2.5 25,-0.2 -1,-0.3 -0.624 47.5-164.4 -89.8 147.1 8.5 54.2 17.1 23 26 A N + 0 0 68 -2,-0.3 18,-2.7 23,-0.2 2,-0.6 0.287 67.0 93.2-108.0 5.2 9.4 50.5 17.1 24 27 A I E -G 40 0B 49 16,-0.2 2,-0.7 -5,-0.1 -5,-0.3 -0.905 65.5-151.1-105.9 116.8 7.8 49.9 13.7 25 28 A K E -G 39 0B 32 14,-3.0 14,-1.8 -2,-0.6 13,-1.4 -0.790 15.6-170.5 -91.3 111.6 10.2 50.1 10.7 26 29 A Y E -G 37 0B 64 -2,-0.7 2,-0.3 -9,-0.7 11,-0.2 -0.593 5.7-162.8 -96.5 160.8 8.5 51.2 7.5 27 30 A E E -G 36 0B 77 9,-2.4 9,-2.6 -2,-0.2 2,-0.4 -0.971 17.2-128.9-147.4 127.3 10.0 51.3 4.0 28 31 A L E -G 35 0B 22 -2,-0.3 2,-1.3 7,-0.2 7,-0.2 -0.649 7.8-146.4 -85.1 126.1 8.7 53.1 1.0 29 32 A D E >>> -G 34 0B 50 5,-2.0 4,-4.0 -2,-0.4 3,-1.0 -0.733 13.2-158.0 -89.1 88.3 8.2 51.2 -2.3 30 33 A K T 345S+ 0 0 101 -2,-1.3 -1,-0.2 1,-0.3 -28,-0.2 0.722 87.1 54.4 -38.4 -37.0 9.1 54.0 -4.7 31 34 A E T 345S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.935 123.5 23.9 -68.2 -46.9 7.2 52.4 -7.5 32 35 A S T <45S- 0 0 80 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.720 92.3-137.1 -90.2 -24.6 3.9 52.1 -5.7 33 36 A G T <5 + 0 0 24 -4,-4.0 2,-0.4 1,-0.3 -3,-0.2 0.616 55.2 149.0 75.2 9.9 4.6 54.9 -3.3 34 37 A A E < -G 29 0B 42 -5,-0.7 -5,-2.0 1,-0.1 2,-0.8 -0.651 53.7-124.5 -83.5 130.3 3.1 52.4 -0.8 35 38 A L E -G 28 0B 70 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.648 33.4-154.0 -75.8 111.0 4.4 52.6 2.8 36 39 A M E -G 27 0B 105 -9,-2.6 -9,-2.4 -2,-0.8 2,-1.2 -0.701 15.4-130.2 -93.6 138.1 5.6 49.1 3.5 37 40 A V E +G 26 0B 95 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.727 31.1 174.3 -85.3 98.0 5.8 47.5 6.9 38 41 A D E - 0 0 64 -13,-1.4 2,-0.3 -2,-1.2 -1,-0.2 0.907 55.6 -41.6 -73.5 -44.3 9.3 46.1 6.9 39 42 A R E -G 25 0B 64 -14,-1.8 -14,-3.0 -3,-0.2 2,-0.5 -0.964 40.3-116.5-177.4 164.8 9.4 45.0 10.5 40 43 A V E -G 24 0B 78 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.0 -0.965 52.1 -99.9-113.2 124.9 8.7 45.4 14.2 41 44 A L - 0 0 10 -18,-2.7 4,-0.1 -2,-0.5 97,-0.1 -0.177 24.5-143.7 -48.9 125.7 11.8 45.7 16.4 42 45 A Y S S+ 0 0 123 95,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.816 78.8 55.0 -61.0 -35.3 12.5 42.3 18.1 43 46 A G S S- 0 0 20 94,-0.3 2,-2.4 1,-0.1 94,-0.0 -0.411 104.0 -87.8 -99.4 176.0 13.7 44.0 21.3 44 47 A A S S+ 0 0 115 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.443 88.6 115.8 -80.2 65.9 12.2 46.5 23.8 45 48 A Q - 0 0 43 -2,-2.4 2,-0.3 -4,-0.1 -4,-0.1 -0.752 45.8-164.0-129.4 175.0 13.6 49.4 21.7 46 49 A N - 0 0 75 -2,-0.2 -23,-0.2 -23,-0.1 -24,-0.1 -0.948 41.2 -83.3-161.2 141.1 12.5 52.4 19.7 47 50 A Y - 0 0 5 -25,-2.5 -26,-2.6 -2,-0.3 -25,-0.2 -0.218 27.9-143.4 -54.0 129.9 14.2 54.6 17.2 48 51 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.443 80.8 1.4 -72.2 -2.7 16.3 57.4 18.8 49 52 A A S S- 0 0 2 -30,-0.1 2,-0.3 -27,-0.1 21,-0.2 -0.972 96.9 -62.6-169.9 173.4 15.3 59.7 15.9 50 53 A N E - C 0 69A 0 19,-1.6 19,-3.1 -2,-0.3 2,-0.4 -0.554 51.8-152.4 -72.0 130.8 13.2 60.1 12.7 51 54 A Y E +BC 18 68A 11 -33,-2.6 -34,-3.0 -2,-0.3 -33,-2.8 -0.906 31.9 124.1-112.2 135.4 14.5 57.7 10.1 52 55 A G E -BC 16 67A 0 15,-2.1 15,-2.3 -2,-0.4 2,-0.3 -0.827 43.4-104.7-160.6-161.9 14.3 58.2 6.4 53 56 A F E -BC 15 66A 10 -38,-1.4 -38,-3.0 13,-0.3 13,-0.2 -0.981 23.1-115.7-144.4 154.9 16.2 58.4 3.1 54 57 A V - 0 0 0 11,-2.5 3,-0.4 -2,-0.3 11,-0.2 -0.822 38.6-131.0 -92.4 119.6 17.4 61.0 0.6 55 58 A P S S+ 0 0 0 0, 0.0 -42,-0.1 0, 0.0 3,-0.1 -0.320 82.9 28.3 -70.8 154.7 15.6 60.5 -2.8 56 59 A N S S+ 0 0 45 1,-0.3 2,-0.3 112,-0.0 112,-0.2 0.860 98.9 105.8 64.9 38.8 17.5 60.4 -6.1 57 60 A T - 0 0 3 -3,-0.4 2,-0.5 111,-0.1 -1,-0.3 -0.939 61.1-138.7-141.0 160.0 20.7 59.1 -4.5 58 61 A L - 0 0 65 106,-2.8 109,-0.2 -2,-0.3 5,-0.1 -0.900 20.2-163.2-130.6 105.7 22.4 55.7 -4.5 59 62 A G > - 0 0 16 4,-2.8 3,-2.0 -2,-0.5 39,-0.0 -0.145 41.2 -86.3 -78.9 177.1 24.0 54.5 -1.3 60 63 A S T 3 S+ 0 0 86 1,-0.3 37,-0.1 2,-0.1 -1,-0.1 0.706 125.3 52.2 -54.8 -25.7 26.5 51.7 -0.7 61 64 A D T 3 S- 0 0 74 2,-0.3 -1,-0.3 35,-0.1 37,-0.0 0.291 120.3-100.7 -98.4 11.1 23.8 49.1 -0.6 62 65 A G S < S+ 0 0 47 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.301 95.0 97.1 90.4 -12.0 22.0 49.9 -3.8 63 66 A D S S- 0 0 82 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.695 91.5 -73.7-106.3 161.8 19.2 51.8 -2.1 64 67 A P - 0 0 38 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.259 66.7 -87.5 -54.9 139.3 19.0 55.6 -1.7 65 68 A V - 0 0 5 -11,-0.2 -11,-2.5 -12,-0.1 2,-0.1 -0.184 47.5-126.2 -49.9 134.0 21.4 56.9 1.0 66 69 A D E -Cd 53 100A 19 33,-0.7 35,-2.3 -13,-0.2 2,-0.3 -0.465 27.1-173.6 -84.1 156.4 19.8 56.7 4.5 67 70 A A E -Cd 52 101A 0 -15,-2.3 -15,-2.1 33,-0.2 2,-0.5 -0.980 19.5-140.3-154.0 137.2 19.6 59.6 6.9 68 71 A L E -Cd 51 102A 4 33,-3.7 35,-3.3 -2,-0.3 2,-0.8 -0.864 14.9-152.3 -99.3 127.6 18.5 60.2 10.5 69 72 A V E -Cd 50 103A 0 -19,-3.1 -19,-1.6 -2,-0.5 2,-0.3 -0.859 13.7-155.1-103.3 104.0 16.6 63.4 11.2 70 73 A L + 0 0 12 33,-2.8 2,-0.3 -2,-0.8 43,-0.1 -0.577 33.5 123.3 -82.2 138.9 17.1 64.5 14.8 71 74 A S - 0 0 3 -2,-0.3 -21,-0.1 33,-0.1 -2,-0.0 -0.946 67.6-100.7-177.2 169.5 14.5 66.7 16.6 72 75 A D S S+ 0 0 95 -2,-0.3 2,-0.2 -23,-0.0 -1,-0.1 0.761 101.6 61.6 -77.1 -25.0 12.3 66.8 19.7 73 76 A V S S- 0 0 78 -3,-0.1 2,-0.5 -23,-0.0 -23,-0.2 -0.646 81.9-121.5-103.9 159.1 9.2 65.8 17.7 74 77 A A - 0 0 50 -2,-0.2 2,-0.3 -55,-0.1 -55,-0.1 -0.868 24.3-143.0-101.3 124.1 8.4 62.7 15.7 75 78 A F - 0 0 38 -2,-0.5 2,-0.2 -57,-0.2 -55,-0.1 -0.610 27.5-100.7 -86.7 144.6 7.5 63.2 12.1 76 79 A Q > - 0 0 162 -2,-0.3 3,-2.2 1,-0.1 -60,-0.2 -0.409 39.5-106.8 -66.6 130.7 4.9 61.0 10.4 77 80 A A T 3 S+ 0 0 17 1,-0.3 -60,-0.2 -2,-0.2 -1,-0.1 -0.375 108.8 32.7 -58.2 128.0 6.1 58.1 8.3 78 81 A G T 3 S+ 0 0 32 -62,-3.6 -1,-0.3 1,-0.5 2,-0.2 0.234 95.2 115.2 106.7 -11.6 5.6 59.0 4.7 79 82 A S < - 0 0 40 -3,-2.2 -63,-2.3 -63,-0.2 -1,-0.5 -0.482 59.4-133.1 -87.3 161.0 6.1 62.7 5.2 80 83 A V E -A 15 0A 62 -65,-0.2 2,-0.4 -2,-0.2 -65,-0.2 -0.937 18.4-169.4-118.4 140.7 9.0 64.7 3.8 81 84 A V E -A 14 0A 8 -67,-2.4 -67,-2.6 -2,-0.4 2,-0.5 -0.989 21.6-132.2-135.5 128.9 11.2 67.1 5.7 82 85 A K E +A 13 0A 86 -2,-0.4 24,-2.6 -69,-0.2 -69,-0.3 -0.654 43.7 167.6 -76.2 123.5 13.8 69.6 4.4 83 86 A A E -AE 12 105A 0 -71,-3.7 -71,-1.2 -2,-0.5 2,-0.3 -0.731 31.2-129.7-131.3 179.8 16.9 69.1 6.5 84 87 A R E - E 0 104A 26 20,-2.9 20,-2.3 -2,-0.2 -74,-0.2 -0.982 26.9-115.2-133.6 143.9 20.6 70.0 6.8 85 88 A L E + E 0 103A 0 -76,-2.9 18,-0.2 -2,-0.3 69,-0.1 -0.474 33.7 163.3 -80.6 149.2 23.6 67.7 7.4 86 89 A V E - 0 0 0 16,-2.3 33,-1.2 1,-0.4 68,-0.4 0.356 66.3 -36.7-139.1 -9.5 25.8 67.8 10.5 87 90 A G E - E 0 102A 0 15,-1.2 15,-2.4 67,-0.2 -1,-0.4 -0.987 53.5-108.9 172.4-168.6 27.6 64.5 10.3 88 91 A V E -FE 152 101A 0 64,-1.8 64,-1.9 -2,-0.3 2,-0.6 -0.984 14.5-136.9-154.9 142.9 27.4 60.8 9.4 89 92 A L E -FE 151 100A 0 11,-2.9 11,-2.1 -2,-0.3 2,-0.5 -0.906 17.9-157.1-107.0 119.6 27.4 57.5 11.3 90 93 A N E +FE 150 99A 23 60,-3.1 59,-2.5 -2,-0.6 60,-1.7 -0.820 25.3 150.8 -98.8 128.3 29.6 54.7 9.9 91 94 A M E -FE 148 98A 1 7,-2.3 7,-3.0 -2,-0.5 2,-0.4 -0.913 34.5-129.5-145.9 172.8 28.8 51.1 10.7 92 95 A E E +FE 147 97A 46 55,-0.9 55,-2.6 -2,-0.3 5,-0.2 -0.996 26.6 170.5-133.2 130.5 29.1 47.6 9.4 93 96 A D E > -FE 146 96A 18 3,-2.7 3,-0.9 -2,-0.4 53,-0.2 -0.690 53.6 -78.3-128.1-178.3 26.4 44.9 9.1 94 97 A E T 3 S+ 0 0 68 51,-1.0 3,-0.1 1,-0.3 52,-0.1 0.745 129.6 49.6 -52.5 -25.9 25.8 41.5 7.6 95 98 A S T 3 S- 0 0 89 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.782 120.3 -98.6 -86.5 -28.7 25.3 43.2 4.2 96 99 A G E < S- E 0 93A 28 -3,-0.9 -3,-2.7 2,-0.0 -1,-0.3 -0.976 71.6 -3.5 144.9-158.2 28.4 45.3 4.3 97 100 A M E - E 0 92A 95 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.522 63.5-163.0 -72.0 130.6 29.5 48.8 5.1 98 101 A D E - E 0 91A 15 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.5 -0.936 7.1-161.9-120.0 137.5 26.6 51.0 6.0 99 102 A E E - E 0 90A 46 -2,-0.4 -33,-0.7 -9,-0.2 2,-0.5 -0.962 4.5-172.7-120.1 131.3 26.5 54.8 6.0 100 103 A K E -dE 66 89A 5 -11,-2.1 -11,-2.9 -2,-0.5 -33,-0.2 -0.925 18.7-137.9-128.0 109.7 23.8 56.9 7.8 101 104 A L E -dE 67 88A 0 -35,-2.3 -33,-3.7 -2,-0.5 2,-0.6 -0.346 11.5-141.1 -64.2 137.6 23.7 60.6 7.4 102 105 A I E +dE 68 87A 0 -15,-2.4 -16,-2.3 -35,-0.2 -15,-1.2 -0.908 34.6 165.7-102.8 116.0 23.0 62.6 10.6 103 106 A A E -dE 69 85A 0 -35,-3.3 -33,-2.8 -2,-0.6 -18,-0.2 -0.832 28.5-150.7-131.2 168.5 20.7 65.6 9.8 104 107 A L E - E 0 84A 3 -20,-2.3 -20,-2.9 -2,-0.3 -33,-0.1 -0.984 37.6 -97.0-135.6 143.4 18.5 68.2 11.4 105 108 A P E - E 0 83A 4 0, 0.0 -22,-0.3 0, 0.0 8,-0.2 -0.311 52.2 -96.4 -61.2 143.1 15.4 69.9 10.0 106 109 A I >> - 0 0 14 -24,-2.6 3,-2.1 -94,-0.1 4,-2.0 -0.263 34.7-112.3 -60.2 148.6 16.1 73.3 8.4 107 110 A D T 34 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.794 113.8 64.2 -53.8 -36.4 15.5 76.3 10.7 108 111 A K T 34 S+ 0 0 188 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.667 115.0 37.6 -64.7 -10.9 12.6 77.8 8.8 109 112 A I T <4 S- 0 0 79 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 140.5 -10.0 -99.8 -55.8 10.9 74.5 9.8 110 113 A D < - 0 0 31 -4,-2.0 3,-0.4 -5,-0.1 -1,-0.2 -0.833 53.7-177.6-153.7 108.1 12.2 73.8 13.3 111 114 A P > + 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.107 49.2 114.9 -94.3 22.3 15.0 75.9 15.0 112 115 A T T 3 S+ 0 0 65 1,-0.3 3,-0.2 2,-0.1 -41,-0.1 0.877 91.9 27.7 -60.2 -37.5 15.3 74.0 18.3 113 116 A H T > S+ 0 0 40 -3,-0.4 3,-1.9 -8,-0.2 -1,-0.3 -0.110 77.6 127.4-116.1 35.3 18.8 72.8 17.5 114 117 A S T < + 0 0 41 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.753 69.1 67.3 -61.4 -22.8 19.9 75.6 15.2 115 118 A Y T 3 S+ 0 0 138 -3,-0.2 2,-1.0 -4,-0.2 -1,-0.3 0.685 76.2 96.8 -71.2 -19.7 23.0 75.9 17.4 116 119 A V < + 0 0 0 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.645 40.9 158.6 -75.9 104.5 24.1 72.5 16.2 117 120 A K + 0 0 134 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.788 63.9 12.1 -94.7 -36.8 26.6 73.4 13.5 118 121 A D S > S- 0 0 43 35,-0.1 3,-2.1 36,-0.1 4,-0.5 -0.832 86.5 -92.6-136.0 173.8 28.6 70.1 13.4 119 122 A I G > S+ 0 0 15 -33,-1.2 3,-1.4 1,-0.3 -32,-0.1 0.862 121.5 60.6 -56.7 -37.9 28.4 66.5 14.8 120 123 A D G 3 S+ 0 0 111 1,-0.2 -1,-0.3 -34,-0.2 4,-0.1 0.553 92.3 67.5 -69.4 -6.5 30.4 67.6 17.8 121 124 A D G < S+ 0 0 62 -3,-2.1 -1,-0.2 -35,-0.2 2,-0.2 0.700 81.1 90.1 -85.4 -20.3 27.7 70.1 18.8 122 125 A L S < S- 0 0 17 -3,-1.4 5,-0.0 -4,-0.5 -9,-0.0 -0.525 94.3 -97.6 -73.6 143.7 25.2 67.3 19.5 123 126 A S > - 0 0 65 -2,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.239 23.4-120.8 -63.7 151.9 25.4 66.2 23.2 124 127 A K H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 111.2 59.3 -56.5 -46.7 27.5 63.1 24.1 125 128 A H H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 104.5 47.9 -49.9 -52.6 24.4 61.5 25.5 126 129 A T H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 111.2 50.6 -59.1 -43.7 22.4 61.6 22.2 127 130 A L H X S+ 0 0 26 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.891 111.0 48.3 -63.1 -41.1 25.3 60.2 20.2 128 131 A D H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.882 110.9 51.0 -66.1 -39.0 25.8 57.3 22.6 129 132 A K H X S+ 0 0 116 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 113.2 44.8 -64.5 -46.7 22.1 56.5 22.5 130 133 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.927 116.1 46.4 -62.8 -45.9 22.0 56.5 18.8 131 134 A K H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 113.4 48.8 -64.2 -40.8 25.2 54.4 18.5 132 135 A H H X S+ 0 0 120 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.834 107.4 56.8 -68.6 -34.3 24.0 52.0 21.1 133 136 A F H >X S+ 0 0 10 -4,-2.0 4,-3.0 -5,-0.2 3,-1.0 0.956 111.6 40.3 -61.0 -52.7 20.7 51.6 19.4 134 137 A F H 3< S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.831 110.4 59.5 -67.1 -32.6 22.2 50.5 16.1 135 138 A E H 3< S+ 0 0 68 -4,-1.8 11,-0.3 -5,-0.2 -1,-0.2 0.613 124.8 17.7 -72.0 -11.3 24.8 48.4 17.8 136 139 A T H X< S+ 0 0 27 -3,-1.0 3,-2.3 -4,-0.6 4,-0.3 0.566 93.1 93.6-135.3 -16.4 22.0 46.3 19.4 137 140 A Y T 3< S+ 0 0 25 -4,-3.0 -95,-0.4 1,-0.3 -94,-0.3 0.562 97.1 43.8 -62.4 -5.7 18.7 46.7 17.6 138 141 A K T > S+ 0 0 18 -4,-0.3 3,-0.8 -5,-0.1 -1,-0.3 0.207 79.5 107.0-122.0 15.1 19.5 43.7 15.5 139 142 A D T < S+ 0 0 106 -3,-2.3 5,-0.2 1,-0.2 -2,-0.1 0.899 84.0 42.9 -59.6 -44.8 20.8 41.4 18.2 140 143 A L T 3 S+ 0 0 117 -4,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.507 90.6 99.5 -83.5 -4.0 17.8 39.1 18.3 141 144 A E S X S- 0 0 6 -3,-0.8 3,-1.5 3,-0.1 -3,-0.0 -0.752 82.2-115.5 -89.3 110.0 17.4 39.0 14.5 142 145 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.037 92.2 1.8 -43.2 136.3 18.9 35.7 13.2 143 146 A N T 3 S+ 0 0 158 1,-0.2 2,-0.4 -49,-0.0 -2,-0.0 0.749 109.9 110.9 54.2 27.7 21.9 36.0 10.9 144 147 A K < + 0 0 75 -3,-1.5 2,-0.3 -6,-0.2 -1,-0.2 -0.979 36.3 151.0-131.2 146.0 21.8 39.8 11.3 145 148 A W - 0 0 99 -2,-0.4 -51,-1.0 -3,-0.1 2,-0.3 -0.985 26.2-146.3-165.4 166.5 24.3 42.1 13.1 146 149 A V E -F 93 0A 10 -2,-0.3 2,-0.4 -11,-0.3 -53,-0.2 -0.997 3.2-169.1-144.4 141.2 25.8 45.6 13.3 147 150 A K E -F 92 0A 106 -55,-2.6 -55,-0.9 -2,-0.3 2,-0.1 -0.819 20.9-148.2-134.4 91.8 29.3 46.8 14.3 148 151 A V E -F 91 0A 21 -2,-0.4 -57,-0.3 -57,-0.2 3,-0.1 -0.381 15.5-175.7 -63.5 129.5 29.3 50.6 14.7 149 152 A K E - 0 0 119 -59,-2.5 2,-0.3 1,-0.3 -58,-0.2 0.911 46.7-100.3 -89.3 -56.7 32.6 52.3 13.9 150 153 A G E -F 90 0A 15 -60,-1.7 -60,-3.1 2,-0.0 -1,-0.3 -0.980 36.6 -57.6 160.8-171.6 31.7 55.9 14.8 151 154 A F E -F 89 0A 45 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.656 33.8-160.6-101.8 159.2 30.6 59.4 13.7 152 155 A E E -F 88 0A 88 -64,-1.9 -64,-1.8 -2,-0.2 5,-0.1 -0.996 27.2-101.9-139.8 140.3 32.3 61.8 11.3 153 156 A N > - 0 0 67 -2,-0.3 4,-1.3 -66,-0.2 -66,-0.2 0.314 41.3 -89.0 -51.7-177.0 31.8 65.6 11.0 154 157 A K H > S+ 0 0 49 -68,-0.4 4,-2.5 1,-0.2 -67,-0.2 0.865 122.7 59.2 -65.2 -42.7 29.7 67.5 8.4 155 158 A E H > S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.877 108.1 48.2 -56.3 -37.6 32.5 67.9 5.9 156 159 A S H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.850 109.4 52.4 -70.3 -36.4 32.6 64.1 5.8 157 160 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.880 103.0 57.7 -68.4 -38.2 28.9 63.7 5.4 158 161 A I H X S+ 0 0 40 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.882 105.9 50.4 -60.0 -39.0 28.7 66.1 2.5 159 162 A K H X S+ 0 0 123 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.869 109.1 51.0 -67.6 -37.1 31.1 63.9 0.6 160 163 A V H X S+ 0 0 16 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.923 114.2 44.9 -64.7 -44.4 29.0 60.8 1.3 161 164 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.956 113.3 48.2 -63.8 -54.0 25.9 62.7 0.0 162 165 A E H X S+ 0 0 122 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.848 112.1 49.9 -57.3 -36.9 27.6 64.1 -3.1 163 166 A K H X S+ 0 0 147 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.866 110.4 51.1 -69.2 -35.4 29.0 60.7 -3.9 164 167 A A H X S+ 0 0 5 -4,-1.7 -106,-2.8 1,-0.2 4,-0.8 0.799 109.1 51.4 -71.8 -29.0 25.5 59.2 -3.5 165 168 A I H X S+ 0 0 22 -4,-2.0 4,-1.3 -108,-0.2 3,-0.3 0.907 110.4 47.0 -74.2 -42.8 24.0 61.8 -5.8 166 169 A K H X S+ 0 0 161 -4,-1.9 4,-1.4 1,-0.2 3,-0.2 0.892 105.7 59.2 -65.7 -41.4 26.5 61.2 -8.6 167 170 A A H < S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 108.0 46.9 -57.4 -32.4 26.1 57.4 -8.4 168 171 A Y H < S+ 0 0 104 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.790 106.3 58.5 -80.2 -30.8 22.4 57.8 -9.1 169 172 A Q H < 0 0 150 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.766 360.0 360.0 -72.3 -26.9 23.0 60.2 -12.1 170 173 A G < 0 0 125 -4,-1.4 -1,-0.2 0, 0.0 -2,-0.1 -0.074 360.0 360.0-101.9 360.0 25.1 57.9 -14.2