==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-00 1E9G . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.HEIKINHEIMO,V.TUOMINEN,A.-K.AHONEN,A.TEPLYAKOV, . 567 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 6 1.1 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 . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 0 1 1 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 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 PARALLEL BRIDGES PER LADDER . 5 11 6 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 0 2 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 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 1 A T 0 0 126 0, 0.0 21,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.1 35.1 -30.1 -22.4 2 2 A Y E +A 21 0A 58 19,-0.2 2,-0.2 132,-0.1 19,-0.2 -0.843 360.0 161.0-101.6 133.1 36.0 -29.4 -26.0 3 3 A T E -A 20 0A 59 17,-1.9 17,-2.5 -2,-0.4 2,-0.4 -0.731 31.7-110.5-131.6-179.7 34.6 -31.4 -28.9 4 4 A T E -A 19 0A 56 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.929 10.7-157.4-119.1 151.7 34.2 -31.0 -32.6 5 5 A R E -A 18 0A 35 13,-2.5 13,-2.7 -2,-0.4 2,-0.4 -0.975 17.9-160.6-126.2 108.8 31.2 -30.5 -34.9 6 6 A Q E -A 17 0A 26 -2,-0.5 259,-2.5 11,-0.2 2,-0.5 -0.824 6.9-166.0 -98.0 132.8 31.9 -31.5 -38.5 7 7 A I E -Ab 16 265A 26 9,-2.8 9,-2.0 -2,-0.4 259,-0.2 -0.969 57.1 -20.4-111.0 122.4 29.7 -30.3 -41.4 8 8 A G E S- b 0 266A 3 257,-1.7 259,-1.9 -2,-0.5 2,-0.4 -0.171 95.4 -37.7 79.9-171.0 30.2 -32.2 -44.7 9 9 A A E > - b 0 267A 11 257,-0.2 3,-0.7 1,-0.1 6,-0.4 -0.785 58.6-110.5 -95.2 135.5 33.0 -34.2 -46.2 10 10 A K T 3 S+ 0 0 52 257,-0.6 260,-2.7 -2,-0.4 3,-0.1 -0.314 102.8 35.8 -55.9 148.0 36.7 -33.5 -45.6 11 11 A N T 3 S+ 0 0 16 1,-0.3 2,-0.3 258,-0.2 -1,-0.2 0.762 99.7 101.9 72.3 31.7 38.5 -32.3 -48.8 12 12 A T S X S- 0 0 25 -3,-0.7 3,-0.8 258,-0.0 58,-0.4 -0.932 81.8-116.0-136.1 159.7 35.5 -30.4 -50.1 13 13 A L T 3 S+ 0 0 103 -2,-0.3 57,-0.1 1,-0.2 -3,-0.1 0.725 113.8 57.2 -67.4 -22.2 34.4 -26.7 -50.1 14 14 A E T 3 S+ 0 0 122 -5,-0.1 -1,-0.2 55,-0.1 -4,-0.1 0.636 79.1 117.5 -87.1 -10.5 31.5 -27.4 -47.8 15 15 A Y < + 0 0 2 -3,-0.8 55,-0.5 -6,-0.4 2,-0.3 -0.320 35.6 166.4 -61.9 132.9 33.6 -28.9 -45.1 16 16 A K E -A 7 0A 47 -9,-2.0 -9,-2.8 53,-0.1 2,-0.5 -0.991 21.1-162.1-141.3 142.8 33.5 -27.0 -41.7 17 17 A V E -AC 6 68A 3 51,-2.0 51,-2.9 -2,-0.3 2,-0.3 -0.978 11.4-169.8-125.6 117.9 34.7 -28.0 -38.2 18 18 A Y E -A 5 0A 17 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.5 -0.807 20.7-126.7 -97.1 148.4 33.3 -26.0 -35.3 19 19 A I E -AD 4 26A 1 7,-0.5 7,-2.5 -2,-0.3 2,-0.4 -0.818 24.7-156.3 -93.1 133.2 34.7 -26.3 -31.8 20 20 A E E -AD 3 25A 27 -17,-2.5 -17,-1.9 -2,-0.5 2,-0.5 -0.875 10.5-156.2-109.8 139.1 32.1 -27.0 -29.2 21 21 A K E > S-AD 2 24A 72 3,-2.6 3,-1.9 -2,-0.4 -19,-0.2 -0.984 88.4 -18.1-107.6 117.4 32.3 -26.2 -25.4 22 22 A D T 3 S- 0 0 115 -21,-2.5 -1,-0.2 -2,-0.5 -20,-0.1 0.881 133.2 -49.3 47.6 43.8 30.0 -28.6 -23.5 23 23 A G T 3 S+ 0 0 30 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.370 118.2 104.4 87.3 -5.3 28.2 -29.3 -26.8 24 24 A K E < S-D 21 0A 114 -3,-1.9 -3,-2.6 1,-0.0 -1,-0.2 -0.913 73.8-112.2-112.0 128.9 27.7 -25.7 -28.0 25 25 A P E +D 20 0A 1 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.296 37.2 178.4 -59.0 142.4 29.7 -24.1 -30.7 26 26 A V E -D 19 0A 7 -7,-2.5 -7,-0.5 39,-0.1 2,-0.4 -0.870 41.5 -79.4-131.3 169.5 32.0 -21.3 -29.7 27 27 A S >> - 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.6 -0.602 28.8-154.2 -73.5 124.6 34.4 -19.1 -31.8 28 28 A A T 45S+ 0 0 1 37,-1.7 -1,-0.2 -2,-0.4 38,-0.1 0.686 96.4 44.0 -67.1 -21.4 37.6 -21.0 -32.4 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.8 31,-0.1 70,-0.2 0.880 129.5 16.1 -84.7 -50.3 39.4 -17.6 -32.7 30 30 A H T 45S+ 0 0 0 213,-0.2 -2,-0.2 67,-0.2 214,-0.1 0.707 118.8 52.5-104.6 -27.4 37.9 -15.6 -29.8 31 31 A D T <5S+ 0 0 3 -4,-2.0 -3,-0.2 34,-0.1 -1,-0.1 0.583 84.0 84.8-100.1 -9.1 36.3 -17.9 -27.2 32 32 A I S S-F 42 0B 62 5,-2.4 5,-2.6 1,-0.1 3,-0.4 -0.759 75.5-168.3-149.8 98.1 47.4 -22.4 -17.0 38 38 A K T > 5S+ 0 0 100 -2,-0.2 3,-1.8 1,-0.2 -1,-0.1 0.919 82.9 46.1 -59.4 -49.8 48.9 -18.9 -17.3 39 39 A E T 3 5S+ 0 0 142 1,-0.3 -1,-0.2 2,-0.1 -4,-0.0 0.735 114.3 48.4 -78.2 -13.5 51.5 -19.0 -14.6 40 40 A N T 3 5S- 0 0 111 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.279 113.7-119.4 -96.3 8.6 52.8 -22.4 -15.6 41 41 A N T < 5 + 0 0 39 -3,-1.8 98,-0.7 1,-0.2 2,-0.5 0.873 59.4 152.5 57.6 43.5 52.9 -21.3 -19.3 42 42 A I E < -FG 37 138B 36 -5,-2.6 -5,-2.4 96,-0.1 -6,-2.3 -0.931 23.5-167.1-109.9 124.6 50.4 -23.9 -20.5 43 43 A F E -FG 35 137B 0 94,-2.7 94,-2.4 -2,-0.5 2,-0.6 -0.762 24.1-120.4-112.5 153.2 48.5 -22.9 -23.6 44 44 A N E - G 0 136B 11 -10,-2.3 2,-0.5 -11,-0.4 92,-0.2 -0.863 30.9-161.1 -88.0 119.3 45.4 -24.1 -25.5 45 45 A M E - G 0 135B 0 90,-3.1 90,-2.3 -2,-0.6 2,-0.6 -0.899 10.1-147.4 -96.3 132.5 46.4 -25.0 -29.1 46 46 A V E -HG 95 134B 0 49,-2.8 49,-2.1 -2,-0.5 2,-0.4 -0.892 20.9-141.2 -94.1 118.2 43.7 -25.2 -31.8 47 47 A V E +H 94 0B 0 86,-2.9 85,-3.0 -2,-0.6 47,-0.3 -0.701 31.2 164.5 -81.7 129.4 44.9 -27.9 -34.2 48 48 A E E + 0 0 10 45,-2.5 46,-0.2 -2,-0.4 -1,-0.2 0.779 65.0 30.6-102.6 -49.5 44.2 -27.2 -37.9 49 49 A I E S-H 93 0B 0 44,-2.6 44,-2.8 81,-0.1 -1,-0.3 -0.971 72.4-135.6-124.9 116.3 46.4 -29.7 -39.9 50 50 A P > - 0 0 16 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.418 41.9 -88.6 -66.2 146.8 47.5 -33.2 -38.8 51 51 A R T 3 S+ 0 0 8 1,-0.2 39,-0.2 76,-0.1 41,-0.1 -0.241 111.6 20.4 -52.3 138.8 51.1 -34.1 -39.3 52 52 A W T 3 S+ 0 0 12 37,-3.0 -1,-0.2 35,-0.4 2,-0.2 0.566 99.1 115.4 72.2 23.0 51.8 -35.7 -42.7 53 53 A T < - 0 0 50 -3,-1.5 36,-2.0 36,-0.2 -1,-0.3 -0.661 51.0-156.4-111.0 170.4 48.7 -34.3 -44.4 54 54 A N + 0 0 20 -2,-0.2 26,-2.6 34,-0.2 -1,-0.1 0.669 54.0 108.7-117.3 -35.8 48.3 -31.8 -47.2 55 55 A A B -M 79 0C 9 24,-0.2 2,-1.9 1,-0.1 24,-0.2 -0.326 68.3-131.8 -55.6 128.2 44.9 -30.1 -47.1 56 56 A K + 0 0 16 22,-2.4 15,-3.1 15,-0.2 2,-0.3 -0.552 35.1 178.8 -89.9 79.1 45.4 -26.5 -46.0 57 57 A L E +E 70 0A 3 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.620 3.4 174.3 -82.7 135.5 42.8 -26.3 -43.3 58 58 A E E -E 69 0A 29 11,-2.8 11,-2.5 -2,-0.3 2,-0.3 -0.993 42.4-103.3-139.4 145.2 42.6 -23.0 -41.4 59 59 A I E -E 68 0A 2 -2,-0.3 2,-0.5 9,-0.3 9,-0.3 -0.563 51.7-129.4 -52.7 125.9 40.4 -21.2 -38.7 60 60 A T > - 0 0 13 7,-2.7 3,-0.6 -2,-0.3 -31,-0.1 -0.709 18.2-160.3 -94.3 131.9 38.5 -18.9 -41.0 61 61 A K T 3 S+ 0 0 24 -2,-0.5 180,-3.2 1,-0.2 -1,-0.1 0.767 84.1 53.3 -75.7 -27.3 38.4 -15.3 -40.1 62 62 A E T 3 S+ 0 0 107 178,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.146 91.1 77.1-106.7 17.2 35.4 -14.3 -42.1 63 63 A E S X S- 0 0 53 -3,-0.6 3,-2.4 178,-0.1 178,-0.1 -0.954 91.7 -91.1-123.4 149.2 32.7 -16.8 -41.0 64 64 A T T 3 S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 180,-0.1 -0.321 112.0 9.3 -66.0 130.6 30.7 -16.6 -37.7 65 65 A L T 3 S- 0 0 1 178,-0.4 -37,-1.7 1,-0.2 -46,-0.3 0.453 109.8-106.7 72.4 7.2 32.3 -18.5 -34.9 66 66 A N < - 0 0 0 -3,-2.4 -1,-0.2 -39,-0.2 -38,-0.2 0.872 46.5-166.3 52.4 54.6 35.4 -19.0 -37.1 67 67 A P - 0 0 1 0, 0.0 -7,-2.7 0, 0.0 2,-0.5 -0.245 28.6-100.2 -63.6 162.2 35.1 -22.7 -38.0 68 68 A I E +CE 17 59A 0 -51,-2.9 -51,-2.0 -9,-0.3 2,-0.3 -0.724 53.3 163.9 -84.7 125.7 38.0 -24.5 -39.6 69 69 A I E - E 0 58A 33 -11,-2.5 -11,-2.8 -2,-0.5 2,-0.4 -0.862 43.6 -86.3-129.6 172.9 37.6 -24.8 -43.4 70 70 A Q E - E 0 57A 8 -55,-0.5 -13,-0.2 -58,-0.4 9,-0.1 -0.680 43.5-124.2 -84.8 130.7 39.9 -25.6 -46.3 71 71 A D - 0 0 37 -15,-3.1 7,-2.6 -2,-0.4 2,-0.3 -0.332 28.5-152.5 -62.4 158.4 41.8 -22.6 -47.7 72 72 A T E -N 77 0D 59 5,-0.2 2,-0.3 -59,-0.0 5,-0.2 -0.930 14.8-164.1-136.6 154.4 41.4 -21.9 -51.4 73 73 A K E > S-N 76 0D 97 3,-2.3 3,-2.3 -2,-0.3 -2,-0.0 -0.987 80.8 -6.4-138.4 130.9 43.4 -20.3 -54.2 74 74 A K T 3 S- 0 0 207 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.876 131.3 -55.1 50.3 42.9 41.8 -19.2 -57.5 75 75 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.503 116.2 111.8 74.8 2.9 38.6 -20.8 -56.5 76 76 A K E < S-N 73 0D 151 -3,-2.3 -3,-2.3 1,-0.0 -1,-0.2 -0.875 77.1 -97.4-115.9 145.0 40.2 -24.2 -55.8 77 77 A L E -N 72 0D 45 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.290 44.4-128.7 -53.0 131.8 40.8 -26.2 -52.7 78 78 A R + 0 0 21 -7,-2.6 -22,-2.4 -22,-0.2 2,-0.4 -0.792 28.4 177.8 -95.6 130.6 44.3 -25.7 -51.5 79 79 A F B -M 55 0C 31 -2,-0.5 2,-0.2 -24,-0.2 -24,-0.2 -0.997 28.3-129.4-124.9 124.5 46.7 -28.6 -50.8 80 80 A V - 0 0 1 -26,-2.6 2,-0.1 -2,-0.4 113,-0.1 -0.571 34.4-121.7 -69.1 136.6 50.3 -27.9 -49.7 81 81 A R - 0 0 46 111,-0.5 2,-0.5 -2,-0.2 198,-0.1 -0.373 20.2-101.4 -83.5 159.1 52.6 -30.0 -51.9 82 82 A N E -o 279 0E 2 196,-0.8 198,-3.1 194,-0.4 2,-0.5 -0.712 35.1-167.3 -79.5 122.1 55.1 -32.6 -50.8 83 83 A C E > -o 280 0E 2 -2,-0.5 3,-2.7 5,-0.3 198,-0.2 -0.958 39.0 -78.1-116.5 111.1 58.7 -31.3 -50.8 84 84 A F T 3 S+ 0 0 27 196,-2.9 198,-0.2 -2,-0.5 3,-0.1 -0.186 115.9 16.4 -51.7 136.6 61.4 -33.9 -50.5 85 85 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.930 116.4 80.2 -91.8 18.0 62.2 -35.3 -48.0 86 86 A H < - 0 0 3 -3,-2.7 2,-0.6 285,-0.1 -3,-0.1 -0.546 61.1-147.4 -92.3 148.1 59.0 -34.1 -46.3 87 87 A H - 0 0 24 -2,-0.2 -35,-0.4 -5,-0.1 -34,-0.1 -0.954 64.5 -59.1-111.5 104.6 55.5 -35.6 -46.5 88 88 A G S S- 0 0 0 -2,-0.6 -5,-0.3 -36,-0.1 2,-0.2 -0.225 116.1 -0.3 58.5-143.2 52.9 -32.8 -46.2 89 89 A Y - 0 0 2 -36,-2.0 -37,-3.0 -39,-0.3 -36,-0.2 -0.564 60.9-153.8 -74.2 139.0 53.2 -30.9 -43.0 90 90 A I S S+ 0 0 4 -2,-0.2 2,-0.3 -39,-0.2 -1,-0.1 0.393 76.7 44.5-101.2 10.2 56.0 -32.2 -40.7 91 91 A H S S- 0 0 1 -41,-0.1 2,-0.6 -42,-0.1 -39,-0.2 -0.926 95.7 -98.0-136.0 157.0 54.3 -30.9 -37.5 92 92 A N E - I 0 123B 0 31,-2.0 31,-2.9 -2,-0.3 2,-0.4 -0.766 58.0-151.7 -68.6 123.4 50.8 -31.0 -36.1 93 93 A Y E +HI 49 122B 6 -44,-2.8 -44,-2.6 -2,-0.6 -45,-2.5 -0.847 35.0 108.1-116.2 133.2 50.0 -27.4 -37.2 94 94 A G E -HI 47 121B 0 27,-2.5 27,-2.3 -2,-0.4 2,-0.3 -0.755 46.9 -93.5-165.6-142.5 47.6 -24.9 -35.7 95 95 A A E -HI 46 120B 1 -49,-2.1 -49,-2.8 25,-0.3 25,-0.2 -0.953 23.4-110.1-152.7 158.9 47.2 -21.7 -33.8 96 96 A F - 0 0 0 23,-2.0 3,-0.5 -2,-0.3 23,-0.4 -0.902 39.4-130.3 -94.5 127.8 46.8 -20.1 -30.4 97 97 A P S S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.269 87.5 36.6 -68.4 162.9 43.3 -18.6 -30.0 98 98 A Q S S+ 0 0 22 -69,-2.8 2,-0.3 1,-0.2 128,-0.2 0.823 96.7 108.0 61.6 37.0 43.0 -15.0 -28.7 99 99 A T - 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 -1,-0.2 -0.960 45.9-169.7-137.1 158.5 46.0 -13.9 -30.6 100 100 A W - 0 0 0 122,-1.3 2,-1.2 -2,-0.3 125,-0.2 -0.943 25.6-140.9-153.2 129.0 46.6 -11.7 -33.7 101 101 A E - 0 0 0 16,-3.0 15,-2.3 -2,-0.3 16,-0.2 -0.759 42.4-132.9 -82.6 94.6 49.5 -10.9 -36.0 102 102 A D > - 0 0 14 -2,-1.2 12,-2.2 1,-0.2 3,-0.7 -0.302 21.9-166.6 -64.4 119.0 48.5 -7.3 -36.3 103 103 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.508 76.9 71.5 -81.0 -2.6 48.7 -6.2 -40.0 104 104 A N T 3 S+ 0 0 51 132,-0.1 2,-0.3 9,-0.1 -2,-0.1 0.388 95.4 46.3-102.4 4.0 48.4 -2.5 -39.2 105 105 A V S < S- 0 0 81 -3,-0.7 9,-0.7 7,-0.1 2,-0.5 -0.988 82.8-114.3-139.7 151.4 51.8 -1.9 -37.7 106 106 A S E -P 113 0F 67 -2,-0.3 7,-0.3 7,-0.2 5,-0.1 -0.747 33.2-131.0 -79.2 126.4 55.3 -2.9 -38.7 107 107 A H E >>> -P 112 0F 18 5,-2.3 4,-2.4 -2,-0.5 5,-0.8 -0.625 10.1-144.1 -83.4 126.0 56.8 -5.3 -36.2 108 108 A P T 345S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.811 93.4 57.3 -61.5 -32.1 60.3 -4.1 -35.2 109 109 A E T 345S+ 0 0 60 1,-0.2 96,-0.2 3,-0.1 35,-0.1 0.827 126.5 19.6 -66.2 -33.1 61.9 -7.5 -34.8 110 110 A T T <45S- 0 0 15 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.481 95.4-132.1-117.3 -13.8 61.1 -8.5 -38.3 111 111 A K T <5S+ 0 0 180 -4,-2.4 2,-0.3 1,-0.2 -5,-0.1 0.812 73.2 97.2 59.0 37.6 60.5 -5.0 -39.9 112 112 A A E - 0 0 116 -81,-0.1 3,-2.2 -80,-0.1 -83,-0.2 -0.924 32.1 -92.8-126.1 152.1 43.0 -34.1 -35.4 131 131 A T T 3 S+ 0 0 10 -2,-0.3 -83,-0.2 1,-0.3 3,-0.1 -0.405 112.1 17.7 -64.8 130.6 41.4 -31.0 -36.9 132 132 A G T 3 S+ 0 0 2 -85,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.345 89.1 145.5 85.9 -3.5 39.6 -29.0 -34.4 133 133 A Q < - 0 0 33 -3,-2.2 -86,-2.9 -86,-0.2 2,-0.6 -0.432 40.5-149.5 -61.6 139.1 41.3 -30.6 -31.4 134 134 A V E +G 46 0B 18 -88,-0.2 2,-0.3 -132,-0.2 -88,-0.2 -0.961 27.2 172.0-105.8 113.5 42.1 -28.4 -28.4 135 135 A K E -G 45 0B 8 -90,-2.3 -90,-3.1 -2,-0.6 2,-0.5 -0.893 33.0-118.8-122.6 157.2 45.2 -29.6 -26.8 136 136 A Q E +G 44 0B 61 -2,-0.3 24,-2.5 -92,-0.2 25,-0.4 -0.850 39.3 177.4 -98.1 128.6 47.3 -28.2 -24.0 137 137 A V E -GK 43 159B 0 -94,-2.4 -94,-2.7 -2,-0.5 2,-0.4 -0.924 27.8-135.2-130.7 157.1 50.9 -27.4 -24.9 138 138 A K E -GK 42 158B 47 20,-2.4 20,-2.0 -2,-0.3 2,-0.3 -0.930 28.8-124.4-107.6 136.8 54.1 -25.9 -23.5 139 139 A A E + K 0 157B 4 -98,-0.7 18,-0.3 -2,-0.4 3,-0.1 -0.609 28.9 174.4 -79.0 137.0 56.1 -23.4 -25.6 140 140 A L E - 0 0 0 16,-3.5 31,-0.7 1,-0.4 72,-0.5 0.594 60.1 -45.1-115.6 -24.0 59.7 -24.3 -26.2 141 141 A G E - K 0 156B 0 15,-1.3 15,-2.7 70,-0.2 -1,-0.4 -0.972 51.6-117.8 174.0-169.7 60.8 -21.5 -28.6 142 142 A I E -LK 210 155B 0 68,-1.9 68,-2.4 -2,-0.3 2,-0.4 -0.993 7.4-147.0-158.9 144.1 59.9 -19.5 -31.7 143 143 A M E - K 0 154B 5 11,-2.1 11,-2.8 -2,-0.3 2,-1.2 -0.971 18.8-132.9-119.8 139.6 61.1 -18.8 -35.2 144 144 A A - 0 0 0 64,-0.5 60,-2.6 -2,-0.4 2,-0.3 -0.626 29.7-176.9 -94.1 76.7 60.7 -15.6 -37.1 145 145 A L E -R 203 0G 1 -2,-1.2 7,-2.4 7,-0.5 2,-0.7 -0.544 19.5-154.0 -72.0 134.9 59.4 -16.5 -40.5 146 146 A L E -RS 202 151G 29 56,-3.2 56,-1.5 -2,-0.3 2,-0.7 -0.955 19.6-166.5-100.7 101.8 58.9 -13.8 -43.1 147 147 A D E > S- S 0 150G 17 3,-2.5 3,-1.7 -2,-0.7 43,-0.1 -0.889 71.8 -23.3 -98.6 111.0 56.2 -15.4 -45.2 148 148 A E T 3 S- 0 0 92 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.892 129.9 -50.5 47.9 45.9 55.7 -13.6 -48.5 149 149 A G T 3 S+ 0 0 53 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.542 116.1 113.2 74.3 13.3 57.2 -10.5 -46.7 150 150 A E E < S- S 0 147G 80 -3,-1.7 -3,-2.5 -38,-0.1 2,-0.3 -0.885 76.4-101.3-118.4 146.3 54.9 -10.7 -43.7 151 151 A T E +qS 114 146G 0 -38,-2.9 -36,-1.4 -2,-0.3 -5,-0.2 -0.453 48.2 163.3 -64.3 122.1 55.6 -11.4 -40.0 152 152 A D - 0 0 3 -7,-2.4 -7,-0.5 -2,-0.3 -1,-0.1 -0.418 17.6-165.9-146.8 58.9 54.6 -15.0 -39.4 153 153 A W - 0 0 2 -9,-0.2 -33,-1.0 1,-0.1 2,-0.5 -0.111 7.4-149.8 -52.3 146.2 56.1 -16.3 -36.2 154 154 A K E -jK 120 143B 2 -11,-2.8 -11,-2.1 -35,-0.1 2,-0.3 -0.961 7.6-149.1-121.7 111.7 56.1 -20.1 -35.6 155 155 A V E -jK 121 142B 0 -35,-2.8 -33,-3.3 -2,-0.5 2,-0.6 -0.648 8.4-141.5 -79.3 135.9 55.9 -21.2 -32.0 156 156 A I E +jK 122 141B 1 -15,-2.7 -16,-3.5 -2,-0.3 -15,-1.3 -0.886 37.5 159.8 -96.8 121.7 57.6 -24.5 -31.3 157 157 A A E -jK 123 139B 0 -35,-2.8 -33,-2.3 -2,-0.6 2,-0.4 -0.907 30.2-145.8-140.2 162.8 55.5 -26.4 -28.7 158 158 A I E - K 0 138B 0 -20,-2.0 -20,-2.4 -2,-0.3 2,-0.1 -1.000 30.3-107.4-133.5 140.4 54.8 -29.9 -27.3 159 159 A D E > - K 0 137B 18 -2,-0.4 3,-2.0 -22,-0.2 -22,-0.3 -0.367 26.7-134.2 -55.0 127.9 51.6 -31.5 -26.0 160 160 A I T 3 S+ 0 0 65 -24,-2.5 -1,-0.1 1,-0.3 -23,-0.1 0.685 105.4 59.5 -63.2 -14.5 51.8 -31.8 -22.2 161 161 A N T 3 S+ 0 0 132 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.480 77.5 114.0 -91.4 -5.5 50.6 -35.4 -22.5 162 162 A D S X S- 0 0 12 -3,-2.0 3,-2.0 1,-0.1 -4,-0.0 -0.432 77.2-123.2 -64.6 139.8 53.5 -36.4 -24.8 163 163 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.792 112.2 48.1 -52.3 -30.0 55.8 -39.0 -23.0 164 164 A L T >> S+ 0 0 49 1,-0.2 3,-2.0 2,-0.1 4,-0.7 0.531 80.2 100.2 -86.3 -10.3 58.7 -36.6 -23.5 165 165 A A G X4 S+ 0 0 4 -3,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.871 77.6 55.4 -49.3 -43.6 57.1 -33.4 -22.3 166 166 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.749 108.3 51.1 -60.5 -21.1 58.7 -33.5 -18.8 167 167 A K G <4 S+ 0 0 117 -3,-2.0 2,-0.7 -4,-0.1 -2,-0.2 0.490 96.3 78.9 -93.7 -7.6 62.1 -33.7 -20.5 168 168 A L << + 0 0 0 -3,-1.6 3,-0.1 -4,-0.7 -1,-0.1 -0.887 42.3 141.0-110.1 113.8 61.5 -30.7 -22.7 169 169 A N + 0 0 86 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.678 65.8 9.5-122.8 -32.7 61.9 -27.3 -21.1 170 170 A D S >> S- 0 0 43 42,-0.1 3,-1.5 41,-0.1 4,-0.6 -0.892 86.1 -85.0-148.6 176.9 63.6 -25.0 -23.6 171 171 A I H >> S+ 0 0 12 -31,-0.7 3,-1.1 1,-0.3 4,-1.0 0.799 118.8 62.5 -65.4 -30.1 64.6 -24.8 -27.2 172 172 A E H 3> S+ 0 0 121 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.822 96.5 62.1 -62.5 -27.0 68.0 -26.6 -26.7 173 173 A D H <> S+ 0 0 34 -3,-1.5 4,-2.2 1,-0.2 5,-0.3 0.819 94.0 62.0 -70.2 -29.2 66.0 -29.6 -25.6 174 174 A V H < S- 0 0 14 -4,-2.6 3,-2.3 -5,-0.3 4,-0.5 -0.485 81.2-169.4-128.9 55.5 64.5 -34.3 -32.0 179 179 A P T 3 S+ 0 0 36 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.253 72.8 13.1 -58.3 132.9 67.8 -33.8 -33.7 180 180 A G T 3> S+ 0 0 24 386,-0.0 4,-2.2 -5,-0.0 5,-0.2 0.196 96.1 106.5 88.8 -14.2 67.5 -32.2 -37.1 181 181 A L H <> S+ 0 0 5 -3,-2.3 4,-2.4 -7,-0.2 5,-0.2 0.916 78.4 48.9 -64.5 -45.0 63.8 -31.2 -36.6 182 182 A L H > S+ 0 0 18 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.923 112.8 47.6 -64.5 -39.8 64.6 -27.5 -36.2 183 183 A R H > S+ 0 0 204 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 112.4 49.6 -64.3 -39.8 66.7 -27.4 -39.3 184 184 A A H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.851 108.7 54.4 -67.1 -31.4 64.0 -29.3 -41.3 185 185 A T H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.900 107.2 49.3 -67.0 -45.0 61.5 -26.8 -40.0 186 186 A N H X S+ 0 0 31 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.964 114.2 45.9 -57.5 -47.7 63.5 -23.9 -41.3 187 187 A E H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.934 109.9 54.5 -61.7 -45.8 63.8 -25.6 -44.7 188 188 A W H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.935 111.1 43.2 -54.0 -52.4 60.1 -26.5 -44.8 189 189 A F H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 12,-0.2 0.760 113.6 53.1 -72.7 -21.5 58.9 -23.0 -44.3 190 190 A R H < S+ 0 0 60 -4,-1.7 11,-2.3 -5,-0.2 -1,-0.2 0.910 123.7 23.4 -69.2 -42.7 61.4 -21.6 -46.7 191 191 A I H >< S+ 0 0 2 -4,-2.3 3,-2.1 9,-0.2 -2,-0.2 0.555 87.3 99.7-106.9 -11.6 60.5 -23.9 -49.6 192 192 A Y T 3< S+ 0 0 9 -4,-2.2 -111,-0.5 1,-0.3 -1,-0.1 0.684 90.0 43.1 -64.0 -21.5 56.9 -25.2 -49.2 193 193 A K T > >S+ 0 0 10 6,-0.2 5,-2.1 -3,-0.2 3,-0.9 0.390 85.3 93.1-102.2 4.0 55.3 -22.7 -51.7 194 194 A I G X 5S+ 0 0 43 -3,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.931 83.1 56.8 -60.3 -39.5 58.0 -23.0 -54.4 195 195 A P G 3 5S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.762 103.4 55.6 -61.8 -19.9 55.9 -25.8 -56.0 196 196 A D G < 5S- 0 0 72 -3,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.425 126.1-101.4 -86.4 -3.9 53.1 -23.2 -56.2 197 197 A G T < 5S+ 0 0 70 -3,-2.1 -3,-0.2 -4,-0.3 -4,-0.1 0.517 80.4 131.5 95.9 6.4 55.2 -20.7 -58.0 198 198 A K < - 0 0 59 -5,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.564 60.0-101.8 -89.4 157.3 56.1 -18.5 -55.1 199 199 A P - 0 0 100 0, 0.0 -6,-0.2 0, 0.0 -51,-0.2 -0.248 46.6 -86.2 -64.5 162.6 59.5 -17.3 -54.0 200 200 A E - 0 0 75 -7,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.434 47.0-126.2 -59.4 141.9 61.5 -18.9 -51.2 201 201 A N - 0 0 8 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.348 20.5-143.7 -82.2 174.2 60.7 -17.5 -47.8 202 202 A Q E -R 146 0G 147 -56,-1.5 -56,-3.2 -2,-0.1 2,-0.4 -0.913 1.1-139.4-135.6 159.6 63.2 -16.0 -45.4 203 203 A F E > -R 145 0G 24 -2,-0.3 3,-0.6 -58,-0.2 -58,-0.2 -0.953 16.7-124.6-118.2 149.7 63.7 -15.9 -41.6 204 204 A A G > S+ 0 0 18 -60,-2.6 3,-1.7 -2,-0.4 -60,-0.3 -0.338 95.5 33.6 -74.2 163.9 64.9 -13.2 -39.3 205 205 A F G > S- 0 0 67 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.757 131.5 -73.9 59.3 30.1 67.8 -13.9 -37.1 206 206 A S G < S- 0 0 129 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.805 92.8 -56.5 54.1 31.3 69.4 -16.1 -39.8 207 207 A G G < S+ 0 0 11 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.494 89.1 164.9 83.1 5.3 66.7 -18.7 -38.9 208 208 A E < - 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0 0 71 -5,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.508 58.5-107.5 -80.9 152.9 68.1 -54.8 -35.2 484 199 B P - 0 0 100 0, 0.0 -51,-0.2 0, 0.0 -6,-0.2 -0.362 49.0 -85.3 -64.9 158.3 71.7 -53.8 -35.9 485 200 B E - 0 0 99 1,-0.1 -9,-0.2 -8,-0.1 -10,-0.1 -0.332 48.7-122.1 -56.7 144.7 72.2 -51.2 -38.6 486 201 B N - 0 0 10 -11,-2.2 2,-0.3 -12,-0.2 -54,-0.2 -0.307 22.1-145.7 -81.6 172.7 72.4 -52.7 -42.1 487 202 B Q E -L 431 0O 146 -56,-1.5 -56,-3.2 -13,-0.1 2,-0.4 -0.887 1.4-141.1-135.1 160.5 75.4 -52.3 -44.5 488 203 B F E > -L 430 0O 26 -2,-0.3 3,-0.6 -58,-0.2 -58,-0.2 -0.968 15.6-126.1-122.3 146.4 75.8 -52.0 -48.3 489 204 B A G > S+ 0 0 19 -60,-2.3 3,-1.8 -2,-0.4 -60,-0.4 -0.365 95.2 34.6 -74.1 164.4 78.4 -53.5 -50.6 490 205 B F G > S- 0 0 69 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.737 132.2 -73.8 57.1 32.1 80.3 -51.0 -52.9 491 206 B S G < S- 0 0 131 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.763 91.7 -57.2 54.6 30.3 80.1 -48.4 -50.1 492 207 B G G < S+ 0 0 9 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.517 90.6 162.0 81.8 6.7 76.4 -48.0 -50.9 493 208 B E < - 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