==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-DEC-97 1HUJ . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.SWAMINATHAN,B.S.COOPERMAN,R.LAHTI,D.VOET . 562 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 21.4 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 . 51 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 13.2 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 0 1 1 1 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 10 6 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 1 1 0 1 1 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 42 0, 0.0 20,-0.2 0, 0.0 133,-0.2 0.000 360.0 360.0 360.0 3.9 33.6 -14.8 0.1 2 2 A Y + 0 0 166 18,-1.7 19,-0.2 1,-0.1 2,-0.2 0.893 360.0 9.3-122.7 -63.9 31.7 -16.3 -2.7 3 3 A T E -A 20 0A 61 17,-2.9 17,-3.2 21,-0.1 2,-0.3 -0.680 61.7-107.4-124.0-170.0 27.9 -15.8 -3.5 4 4 A T E -A 19 0A 48 15,-0.3 2,-0.5 -2,-0.2 15,-0.2 -0.888 10.6-161.1-129.2 137.9 24.9 -13.6 -2.5 5 5 A R E -A 18 0A 24 13,-2.8 13,-2.6 -2,-0.3 2,-0.6 -0.939 16.8-163.8-117.2 108.0 21.7 -14.2 -0.5 6 6 A Q E -A 17 0A 24 -2,-0.5 259,-2.6 11,-0.2 2,-0.5 -0.817 4.9-160.6 -94.4 120.2 19.1 -11.6 -1.2 7 7 A I E -Ab 16 265A 13 9,-3.0 9,-1.5 -2,-0.6 259,-0.2 -0.832 59.0 -31.8 -93.9 121.0 16.1 -11.2 1.2 8 8 A G E S- b 0 266A 0 257,-1.0 259,-2.0 -2,-0.5 2,-0.3 -0.036 97.8 -31.5 78.4-158.0 13.2 -9.4 -0.4 9 9 A A E - b 0 267A 9 257,-0.2 3,-0.5 1,-0.1 6,-0.3 -0.735 60.3-107.5-101.4 146.5 13.2 -6.6 -3.0 10 10 A K S S+ 0 0 67 257,-0.6 260,-2.7 -2,-0.3 3,-0.1 -0.256 102.9 32.8 -62.1 155.1 15.8 -3.9 -3.6 11 11 A N S S+ 0 0 17 1,-0.3 2,-0.3 258,-0.2 -1,-0.2 0.800 101.2 108.6 60.8 48.1 14.8 -0.4 -2.6 12 12 A T S > S- 0 0 37 -3,-0.5 3,-0.8 260,-0.0 58,-0.3 -0.895 79.4-119.8-153.4 151.8 12.7 -1.7 0.2 13 13 A L T 3 S+ 0 0 113 -2,-0.3 57,-0.1 1,-0.2 -2,-0.0 0.748 112.3 56.8 -72.7 -22.1 13.0 -1.8 4.0 14 14 A E T 3 S+ 0 0 83 -5,-0.1 -1,-0.2 -4,-0.1 -4,-0.1 0.573 82.1 121.8 -83.7 -8.2 12.9 -5.6 4.1 15 15 A Y < + 0 0 4 -3,-0.8 55,-0.4 -6,-0.3 2,-0.3 -0.273 29.6 160.3 -72.7 131.4 16.0 -5.8 1.8 16 16 A K E -A 7 0A 51 -9,-1.5 -9,-3.0 53,-0.1 2,-0.5 -0.984 22.7-160.8-142.3 142.3 19.1 -7.6 2.9 17 17 A V E -AC 6 68A 1 51,-2.1 51,-2.8 -2,-0.3 2,-0.4 -0.992 12.5-169.8-124.1 111.8 22.1 -9.1 1.0 18 18 A Y E -A 5 0A 9 -13,-2.6 -13,-2.8 -2,-0.5 2,-0.5 -0.857 22.5-125.3 -89.8 146.6 24.2 -11.7 2.9 19 19 A I E -AD 4 26A 0 7,-0.6 7,-2.9 -2,-0.4 2,-0.4 -0.781 26.3-152.1 -90.3 126.6 27.5 -12.9 1.5 20 20 A E E -AD 3 25A 25 -17,-3.2 -17,-2.9 -2,-0.5 -18,-1.7 -0.850 13.6-162.4-100.2 136.9 27.6 -16.7 1.1 21 21 A K E > S- D 0 24A 83 3,-3.0 3,-1.7 -2,-0.4 -2,-0.0 -0.998 89.6 -14.0-109.1 112.7 30.8 -18.8 1.3 22 22 A D T 3 S- 0 0 111 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.830 132.3 -50.0 61.3 42.4 29.7 -22.1 -0.3 23 23 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.349 120.0 103.9 84.4 -6.1 26.0 -21.4 -0.1 24 24 A K E < S-D 21 0A 84 -3,-1.7 -3,-3.0 -21,-0.0 -1,-0.2 -0.901 77.1-106.7-118.9 135.0 26.2 -20.4 3.6 25 25 A P E -D 20 0A 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.365 36.6-177.0 -59.4 124.9 26.1 -16.9 5.0 26 26 A V E -D 19 0A 7 -7,-2.9 -7,-0.6 -2,-0.1 2,-0.6 -0.800 40.1 -89.1-112.8 160.0 29.4 -15.5 6.4 27 27 A S >> - 0 0 0 -2,-0.3 4,-2.2 1,-0.1 5,-0.6 -0.665 28.2-153.5 -70.8 119.3 29.9 -12.1 8.1 28 28 A A T 45S+ 0 0 1 37,-1.8 -1,-0.1 -2,-0.6 38,-0.1 0.644 95.3 45.1 -67.1 -20.2 30.6 -9.5 5.4 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.9 31,-0.1 70,-0.2 0.900 131.1 12.7 -82.3 -52.5 32.5 -7.5 8.0 30 30 A H T 45S+ 0 0 0 213,-0.2 -2,-0.2 67,-0.2 214,-0.1 0.769 118.4 57.3-106.3 -30.1 34.6 -10.1 9.8 31 31 A D T <5S+ 0 0 7 -4,-2.2 -3,-0.2 34,-0.1 -1,-0.1 0.531 84.8 83.4 -97.5 -8.5 34.5 -13.4 7.8 32 32 A I S >> -F 42 0B 47 5,-2.2 5,-2.3 -3,-0.1 3,-0.6 -0.628 65.7-179.8-158.5 87.0 46.9 -12.3 -1.9 38 38 A K G >45S+ 0 0 142 1,-0.2 3,-1.3 3,-0.2 -1,-0.1 0.911 83.7 65.3 -59.6 -32.5 48.9 -10.7 0.9 39 39 A E G 345S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.856 117.0 23.6 -55.7 -47.2 52.0 -11.5 -1.0 40 40 A N G <45S- 0 0 108 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.211 112.0-111.6-109.2 16.1 51.1 -9.1 -3.8 41 41 A N T <<5 + 0 0 42 -3,-1.3 2,-0.6 -4,-0.5 98,-0.5 0.876 58.0 160.5 56.1 41.2 48.7 -6.9 -1.8 42 42 A I E < -FG 37 138B 27 -5,-2.3 -6,-2.7 96,-0.1 -5,-2.2 -0.866 23.7-156.6 -91.8 123.9 45.6 -8.0 -3.6 43 43 A F E -FG 35 137B 1 94,-2.7 94,-1.6 -2,-0.6 2,-0.6 -0.548 17.2-121.0 -99.0 160.3 42.6 -7.2 -1.4 44 44 A N E - G 0 136B 7 -10,-2.4 2,-0.5 -11,-0.3 92,-0.2 -0.936 30.8-159.9 -95.2 118.8 39.1 -8.5 -1.2 45 45 A M E - G 0 135B 0 90,-3.5 90,-2.5 -2,-0.6 2,-0.7 -0.910 9.7-150.9 -99.5 133.6 36.6 -5.8 -1.8 46 46 A V E -HG 95 134B 0 49,-2.5 49,-1.8 -2,-0.5 2,-0.3 -0.886 20.2-140.9 -95.9 113.5 33.0 -6.1 -0.7 47 47 A V E +H 94 0B 0 86,-3.2 85,-2.3 -2,-0.7 47,-0.3 -0.592 30.7 164.8 -78.6 128.9 30.9 -4.0 -3.1 48 48 A E E + 0 0 13 45,-3.2 46,-0.2 1,-0.3 -1,-0.2 0.716 65.9 26.5-104.3 -49.4 28.0 -2.1 -1.5 49 49 A I E S-H 93 0B 0 44,-2.5 44,-3.7 81,-0.1 -1,-0.3 -0.987 74.2-136.3-131.0 111.7 26.9 0.5 -4.1 50 50 A P > - 0 0 16 0, 0.0 3,-1.5 0, 0.0 39,-0.4 -0.370 41.6 -85.3 -60.3 151.8 27.2 0.1 -7.8 51 51 A R T 3 S+ 0 0 6 1,-0.3 39,-0.2 39,-0.1 41,-0.1 -0.315 112.8 19.0 -61.8 132.6 28.4 3.1 -9.9 52 52 A W T 3 S+ 0 0 13 37,-3.9 -1,-0.3 35,-0.3 2,-0.2 0.588 98.7 113.7 80.5 22.7 25.6 5.5 -10.8 53 53 A T < - 0 0 50 -3,-1.5 36,-2.2 36,-0.2 -1,-0.3 -0.603 50.4-157.1-111.2 176.8 23.1 4.3 -8.2 54 54 A N + 0 0 16 34,-0.2 26,-3.2 -2,-0.2 2,-0.3 0.558 51.5 112.5-126.7 -27.3 21.7 6.2 -5.2 55 55 A A B -M 79 0C 8 24,-0.3 2,-1.9 1,-0.1 24,-0.3 -0.502 67.3-130.2 -68.4 119.8 20.4 3.8 -2.6 56 56 A K + 0 0 15 22,-2.9 15,-3.2 -2,-0.3 2,-0.4 -0.508 36.3 179.6 -76.9 78.5 22.7 4.1 0.5 57 57 A L E +E 70 0A 6 -2,-1.9 2,-0.4 13,-0.2 13,-0.3 -0.737 3.2 178.8 -89.2 133.1 23.4 0.4 1.0 58 58 A E E -E 69 0A 41 11,-3.1 11,-2.3 -2,-0.4 2,-0.2 -0.992 41.0-108.7-135.3 145.5 25.7 -0.6 3.9 59 59 A I E -E 68 0A 3 -2,-0.4 2,-0.8 9,-0.2 9,-0.2 -0.484 50.7-127.9 -57.6 116.1 27.3 -3.5 5.6 60 60 A T > - 0 0 19 7,-2.4 3,-1.1 -2,-0.2 6,-0.1 -0.793 19.4-161.2 -84.3 118.6 25.2 -3.3 8.8 61 61 A R T 3 S+ 0 0 52 -2,-0.8 180,-3.3 1,-0.2 -1,-0.1 0.763 86.1 44.9 -69.8 -28.0 27.4 -3.3 11.8 62 62 A E T 3 S+ 0 0 97 178,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.274 93.2 90.1-104.7 10.2 24.8 -4.3 14.4 63 63 A E S X S- 0 0 75 -3,-1.1 3,-3.0 178,-0.2 178,-0.1 -0.902 90.3 -97.9-110.8 134.8 23.1 -7.1 12.5 64 64 A T T 3 S+ 0 0 46 -2,-0.4 -2,-0.1 1,-0.3 180,-0.1 -0.331 112.0 7.6 -58.6 125.5 24.4 -10.7 12.9 65 65 A L T 3 S- 0 0 1 178,-0.4 -37,-1.8 1,-0.2 -46,-0.3 0.440 111.5-108.1 71.9 12.8 26.8 -11.5 9.9 66 66 A N < - 0 0 0 -3,-3.0 -1,-0.2 -39,-0.2 -38,-0.1 0.856 44.9-164.2 44.7 55.8 26.5 -7.9 8.9 67 67 A P - 0 0 0 0, 0.0 -7,-2.4 0, 0.0 2,-0.4 -0.270 29.5 -99.3 -62.4 158.9 24.3 -8.1 5.8 68 68 A I E +CE 17 59A 0 -51,-2.8 -51,-2.1 -9,-0.2 2,-0.3 -0.687 53.9 167.3 -79.2 121.3 24.1 -5.2 3.4 69 69 A I E - E 0 58A 31 -11,-2.3 -11,-3.1 -2,-0.4 2,-0.3 -0.933 40.0 -96.8-132.5 156.6 20.9 -3.3 4.2 70 70 A Q E - E 0 57A 9 -55,-0.4 -13,-0.2 -2,-0.3 9,-0.1 -0.640 38.5-117.8 -79.5 137.0 19.8 0.2 3.1 71 71 A D - 0 0 39 -15,-3.2 7,-2.9 -2,-0.3 2,-0.3 -0.352 30.9-155.1 -66.9 152.0 20.4 3.0 5.5 72 72 A T E -N 77 0D 60 5,-0.3 2,-0.4 -2,-0.0 5,-0.3 -0.911 11.5-150.2-129.1 157.0 17.3 4.9 6.7 73 73 A K E > S-N 76 0D 97 3,-3.0 3,-1.1 -2,-0.3 -2,-0.0 -0.894 85.8 -20.2-133.0 109.9 16.6 8.4 8.1 74 74 A K T 3 S- 0 0 181 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.983 131.8 -49.4 48.0 51.0 13.8 8.8 10.6 75 75 A G T 3 S+ 0 0 53 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.210 116.7 110.6 83.5 -14.9 12.5 5.5 9.3 76 76 A K E < S-N 73 0D 106 -3,-1.1 -3,-3.0 1,-0.1 -1,-0.1 -0.792 76.8 -98.3-100.1 137.7 12.6 6.3 5.5 77 77 A L E -N 72 0D 37 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.106 39.0-127.0 -48.0 146.4 15.1 4.7 3.1 78 78 A R + 0 0 34 -7,-2.9 -22,-2.9 -22,-0.2 2,-0.4 -0.840 29.2 173.6-109.0 124.5 18.2 6.7 2.4 79 79 A F B -M 55 0C 28 -2,-0.5 2,-0.3 -24,-0.3 -24,-0.3 -0.969 32.2-123.3-121.0 140.2 19.4 7.6 -1.1 80 80 A V - 0 0 0 -26,-3.2 113,-0.1 -2,-0.4 8,-0.1 -0.689 36.8-122.7 -73.4 136.7 22.3 9.9 -2.0 81 81 A R - 0 0 46 111,-0.5 2,-0.6 -2,-0.3 198,-0.1 -0.336 24.0 -98.0 -83.5 159.9 21.0 12.7 -4.3 82 82 A N E -o 279 0E 0 196,-0.9 198,-3.0 194,-0.2 2,-0.7 -0.737 36.2-163.0 -81.6 118.1 22.3 13.5 -7.8 83 83 A C E > -o 280 0E 8 -2,-0.6 3,-2.9 5,-0.3 198,-0.2 -0.936 39.1 -83.4-107.7 105.0 24.7 16.4 -7.5 84 84 A F T 3 S+ 0 0 28 196,-3.0 3,-0.1 -2,-0.7 379,-0.0 -0.172 114.8 20.4 -46.5 135.1 25.3 17.9 -10.9 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.893 117.3 78.2 -90.9 22.8 27.2 16.9 -13.0 86 86 A H < - 0 0 3 -3,-2.9 2,-0.5 282,-0.1 3,-0.1 -0.529 62.2-146.4-102.1 152.3 27.2 13.5 -11.2 87 87 A H - 0 0 24 -2,-0.2 -35,-0.3 -5,-0.1 -5,-0.1 -0.969 62.8 -57.2-116.9 113.4 24.7 10.7 -11.2 88 88 A G S S- 0 0 0 -2,-0.5 2,-0.3 -36,-0.2 -5,-0.3 -0.184 115.3 -5.6 52.2-144.9 24.5 8.8 -7.9 89 89 A Y - 0 0 0 -36,-2.2 -37,-3.9 -39,-0.4 -36,-0.2 -0.596 60.3-152.9 -74.4 137.2 27.9 7.4 -6.9 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.183 78.1 48.4 -99.2 14.6 30.6 7.9 -9.5 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.5 -42,-0.1 -39,-0.2 -0.966 96.4-100.0-140.5 154.9 32.6 4.8 -8.2 92 92 A N E - I 0 123B 0 31,-1.7 31,-2.6 -2,-0.3 2,-0.5 -0.740 56.0-145.7 -68.9 119.7 31.6 1.3 -7.4 93 93 A Y E +HI 49 122B 10 -44,-3.7 -45,-3.2 -2,-0.5 -44,-2.5 -0.864 35.6 121.1-107.0 128.2 31.5 1.8 -3.7 94 94 A G E -HI 47 121B 0 27,-2.5 27,-2.6 -2,-0.5 2,-0.3 -0.788 43.5-101.1-156.4-153.8 32.5 -0.6 -1.0 95 95 A A E -HI 46 120B 0 -49,-1.8 -49,-2.5 25,-0.3 25,-0.2 -0.885 24.9-117.6-141.2 152.3 34.6 -1.6 2.0 96 96 A F - 0 0 0 23,-2.1 23,-0.4 -2,-0.3 3,-0.4 -0.905 39.0-127.9 -88.2 127.9 37.6 -3.8 2.8 97 97 A P S S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.414 88.7 33.5 -66.3 157.2 36.4 -6.5 5.2 98 98 A Q S S+ 0 0 22 -69,-2.9 2,-0.3 1,-0.2 128,-0.2 0.915 96.1 105.0 60.9 43.8 38.4 -7.0 8.4 99 99 A T - 0 0 0 -3,-0.4 2,-0.3 -70,-0.2 124,-0.2 -0.953 47.7-164.1-142.7 160.7 39.2 -3.2 8.9 100 100 A W - 0 0 1 122,-1.0 2,-1.2 -2,-0.3 125,-0.2 -0.962 24.0-137.1-152.7 127.2 37.8 -0.6 11.3 101 101 A E - 0 0 0 16,-2.4 15,-1.7 -2,-0.3 16,-0.1 -0.772 41.1-129.0 -79.6 95.0 37.9 3.2 11.4 102 102 A D > - 0 0 27 -2,-1.2 12,-2.6 1,-0.2 3,-0.6 -0.287 25.9-172.1 -55.2 115.4 38.6 3.4 15.2 103 103 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.512 77.8 62.3 -84.5 -8.8 36.0 5.7 16.7 104 104 A N T 3 S+ 0 0 48 132,-0.1 2,-0.3 9,-0.1 -2,-0.1 0.469 99.0 53.9 -99.4 -13.8 37.6 5.8 20.1 105 105 A V S < S- 0 0 74 -3,-0.6 9,-0.5 7,-0.1 2,-0.4 -0.931 83.3-115.4-126.4 147.1 41.0 7.3 19.2 106 106 A S E -P 113 0F 68 -2,-0.3 7,-0.3 7,-0.2 -2,-0.0 -0.732 30.4-130.9 -84.3 130.0 41.9 10.5 17.4 107 107 A H E >>> -P 112 0F 3 5,-3.2 4,-2.2 -2,-0.4 5,-0.7 -0.704 8.1-140.5 -87.3 129.5 43.6 9.9 14.1 108 108 A P T 345S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.737 96.2 54.9 -63.0 -26.5 46.8 11.9 13.6 109 109 A E T 345S+ 0 0 37 1,-0.1 96,-0.2 3,-0.1 35,-0.1 0.793 126.3 18.6 -77.1 -27.9 46.3 12.7 9.9 110 110 A T T <45S- 0 0 15 -3,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.487 93.8-127.9-119.5 -20.3 42.9 14.2 10.3 111 111 A K T <5S+ 0 0 165 -4,-2.2 2,-0.3 1,-0.2 -5,-0.1 0.819 74.2 102.0 60.8 42.0 42.7 15.0 14.0 112 112 A A E - 0 0 124 -2,-0.1 3,-1.7 -80,-0.1 -83,-0.2 -0.883 31.0 -89.1-128.6 159.1 26.7 -5.4 -7.9 131 131 A T T 3 S+ 0 0 14 -2,-0.3 -83,-0.2 1,-0.3 3,-0.1 -0.419 112.9 22.6 -66.6 130.0 25.8 -5.3 -4.2 132 132 A G T 3 S+ 0 0 3 -85,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.295 88.0 141.6 96.5 -8.0 27.3 -8.3 -2.3 133 133 A Q < - 0 0 31 -3,-1.7 -86,-3.2 -86,-0.1 2,-0.6 -0.447 40.1-155.1 -67.6 131.0 30.0 -8.8 -4.8 134 134 A V E +G 46 0B 24 -88,-0.2 2,-0.3 -132,-0.2 -88,-0.2 -0.957 26.2 173.3 -99.5 117.3 33.4 -9.8 -3.5 135 135 A K E -G 45 0B 10 -90,-2.5 -90,-3.5 -2,-0.6 2,-0.6 -0.876 33.8-112.2-121.5 168.7 36.0 -8.7 -6.0 136 136 A Q E +G 44 0B 67 -2,-0.3 24,-3.2 -92,-0.2 25,-0.4 -0.881 42.1 169.7-104.9 121.8 39.8 -8.6 -6.1 137 137 A V E -GK 43 159B 0 -94,-1.6 -94,-2.7 -2,-0.6 2,-0.4 -0.810 26.8-140.5-130.2 153.3 41.4 -5.1 -6.2 138 138 A K E -GK 42 158B 30 20,-1.7 20,-1.6 -2,-0.3 2,-0.3 -0.934 30.4-112.6-114.7 146.2 44.8 -3.5 -5.9 139 139 A A E + K 0 157B 1 -98,-0.5 18,-0.2 -2,-0.4 3,-0.1 -0.649 33.4 171.2 -84.2 132.8 45.3 -0.3 -4.0 140 140 A L E - 0 0 0 16,-3.1 31,-1.3 1,-0.4 72,-0.5 0.688 61.4 -43.9-108.8 -31.9 46.4 2.8 -6.0 141 141 A G E -LK 211 156B 0 15,-1.2 15,-2.4 70,-0.2 -1,-0.4 -0.933 50.8-117.1 178.9-171.0 46.1 5.6 -3.4 142 142 A I E -LK 210 155B 0 68,-2.1 68,-2.9 -2,-0.3 2,-0.4 -0.990 8.4-148.3-159.5 140.0 44.1 7.0 -0.6 143 143 A M E -LK 209 154B 3 11,-2.2 11,-2.4 -2,-0.3 2,-1.6 -0.985 18.7-133.4-117.3 135.7 42.2 10.3 0.3 144 144 A A - 0 0 0 64,-0.5 60,-2.5 -2,-0.4 2,-0.2 -0.514 33.6-179.1 -89.5 74.1 41.8 11.7 3.8 145 145 A L E -R 203 0G 0 -2,-1.6 7,-2.9 7,-0.4 2,-0.7 -0.484 22.9-155.6 -77.3 132.4 38.1 12.5 3.9 146 146 A L E -RS 202 151G 24 56,-3.2 56,-1.8 5,-0.2 2,-0.7 -0.963 18.4-168.9 -96.7 101.7 36.5 14.1 7.0 147 147 A D E > S- S 0 150G 6 3,-1.8 3,-1.5 -2,-0.7 43,-0.1 -0.879 74.4 -22.5-101.7 114.4 32.9 13.0 6.5 148 148 A E T 3 S- 0 0 97 -2,-0.7 -1,-0.3 1,-0.2 3,-0.1 0.910 129.2 -51.8 44.4 45.7 30.8 14.9 9.0 149 149 A G T 3 S+ 0 0 53 -3,-0.3 2,-0.3 1,-0.2 -36,-0.3 0.513 113.6 114.1 79.2 10.0 33.9 15.4 11.2 150 150 A E E < S- S 0 147G 75 -3,-1.5 -3,-1.8 -38,-0.1 -36,-0.2 -0.851 78.2-101.7-115.5 142.4 35.0 11.8 11.3 151 151 A T E +qS 114 146G 0 -38,-3.1 -36,-1.5 -2,-0.3 -5,-0.2 -0.497 49.2 169.1 -62.8 126.5 38.1 10.3 9.8 152 152 A D - 0 0 6 -7,-2.9 -7,-0.4 -2,-0.2 -1,-0.1 -0.329 13.9-166.3-147.9 56.7 36.8 8.7 6.7 153 153 A W - 0 0 0 -9,-0.2 -33,-1.0 1,-0.1 2,-0.5 -0.070 8.1-149.5 -47.5 145.4 39.6 7.5 4.4 154 154 A K E -jK 120 143B 1 -11,-2.4 -11,-2.2 -35,-0.1 2,-0.3 -0.979 7.3-149.2-123.6 109.3 38.7 6.6 0.8 155 155 A V E -jK 121 142B 0 -35,-2.9 -33,-3.5 -2,-0.5 2,-0.6 -0.691 9.7-141.6 -75.4 132.9 41.0 3.9 -0.8 156 156 A I E +jK 122 141B 2 -15,-2.4 -16,-3.1 -2,-0.3 -15,-1.2 -0.913 35.4 168.0 -97.7 119.0 41.3 4.3 -4.6 157 157 A A E -jK 123 139B 0 -35,-3.3 -33,-2.8 -2,-0.6 2,-0.4 -0.814 28.9-148.2-132.8 162.8 41.3 0.8 -6.1 158 158 A I E - K 0 138B 0 -20,-1.6 -20,-1.7 -2,-0.3 2,-0.2 -0.992 30.6-110.0-135.4 130.8 41.0 -1.1 -9.4 159 159 A D E > - K 0 137B 21 -2,-0.4 3,-2.4 -22,-0.2 6,-0.3 -0.398 25.4-130.5 -52.2 127.6 39.6 -4.5 -10.1 160 160 A I T 3 S+ 0 0 57 -24,-3.2 -1,-0.1 1,-0.3 -23,-0.1 0.745 107.3 53.5 -52.8 -27.5 42.4 -7.0 -11.0 161 161 A N T 3 S+ 0 0 126 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.381 79.4 117.2 -93.5 -0.1 40.4 -8.1 -14.0 162 162 A D S X S- 0 0 12 -3,-2.4 3,-1.9 1,-0.1 -4,-0.0 -0.559 74.6-125.2 -63.9 134.3 40.0 -4.6 -15.4 163 163 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.743 112.7 49.8 -45.5 -32.7 41.7 -4.3 -18.8 164 164 A L T >> S+ 0 0 39 1,-0.2 3,-2.4 2,-0.1 4,-0.9 0.663 80.6 98.5 -87.3 -12.2 43.6 -1.4 -17.4 165 165 A A G X4 S+ 0 0 6 -3,-1.9 3,-0.8 -6,-0.3 -1,-0.2 0.794 79.6 54.7 -49.5 -41.9 44.8 -3.1 -14.2 166 166 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.742 110.9 45.7 -59.7 -29.8 48.3 -4.0 -15.6 167 167 A K G <4 S+ 0 0 122 -3,-2.4 2,-0.8 1,-0.1 -2,-0.2 0.579 99.4 77.9 -89.9 -14.4 48.9 -0.3 -16.4 168 168 A L << + 0 0 0 -4,-0.9 -1,-0.1 -3,-0.8 3,-0.1 -0.846 44.0 138.1-104.7 102.7 47.7 1.0 -13.1 169 169 A N + 0 0 83 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.568 67.5 13.5-122.5 -7.2 50.2 0.6 -10.3 170 170 A D S >> S- 0 0 43 41,-0.1 3,-2.5 42,-0.1 4,-0.5 -0.971 87.0 -87.5-159.4 173.8 50.1 3.9 -8.4 171 171 A I H >> S+ 0 0 14 -31,-1.3 4,-1.2 1,-0.3 3,-1.0 0.727 118.1 63.5 -64.3 -25.5 48.0 7.0 -8.0 172 172 A E H 3> S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.679 96.2 61.3 -68.6 -24.9 49.7 8.9 -10.8 173 173 A D H <> S+ 0 0 22 -3,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.734 96.9 58.8 -71.3 -27.2 48.4 6.3 -13.2 174 174 A V H < S- 0 0 12 -4,-2.4 3,-2.4 -5,-0.2 4,-0.4 -0.351 82.1-163.5-129.0 57.6 41.3 8.6 -15.7 179 179 A P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.084 73.1 6.8 -55.0 124.2 41.9 12.3 -16.2 180 180 A G T 3> S+ 0 0 18 383,-0.1 4,-1.9 1,-0.0 5,-0.1 0.357 95.7 110.9 90.3 -4.6 39.8 14.4 -13.8 181 181 A L H <> S+ 0 0 6 -3,-2.4 4,-2.1 -7,-0.2 5,-0.2 0.952 77.9 47.4 -69.2 -41.7 38.5 11.5 -11.8 182 182 A L H > S+ 0 0 21 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.909 112.5 49.2 -69.1 -42.0 40.4 12.3 -8.7 183 183 A R H > S+ 0 0 204 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 112.5 49.5 -55.2 -47.7 39.4 16.0 -8.8 184 184 A A H X S+ 0 0 9 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.805 109.9 50.5 -61.7 -38.8 35.8 14.8 -9.3 185 185 A T H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.947 108.9 51.5 -67.2 -44.6 36.0 12.4 -6.3 186 186 A N H X S+ 0 0 28 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.951 115.7 42.5 -56.9 -47.7 37.4 15.2 -4.2 187 187 A E H X S+ 0 0 67 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.957 111.5 54.7 -60.5 -50.4 34.4 17.3 -5.2 188 188 A W H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.847 110.7 43.1 -55.5 -46.4 31.8 14.5 -4.9 189 189 A F H < S+ 0 0 0 -4,-2.4 12,-0.3 2,-0.2 -1,-0.2 0.783 112.8 54.5 -82.0 -20.0 32.6 13.6 -1.3 190 190 A R H < S+ 0 0 73 -4,-1.4 11,-2.1 -5,-0.4 3,-0.3 0.940 123.3 24.3 -65.2 -48.7 32.8 17.3 -0.4 191 191 A I H >< S+ 0 0 33 -4,-2.5 3,-2.6 9,-0.2 -2,-0.2 0.680 88.3 99.3 -98.0 -16.0 29.3 18.0 -1.7 192 192 A Y T 3< S+ 0 0 4 -4,-2.4 -111,-0.5 1,-0.3 -1,-0.2 0.541 88.9 46.8 -58.6 -7.1 27.3 14.8 -1.8 193 193 A K T > >S+ 0 0 12 -3,-0.3 5,-1.6 6,-0.2 3,-0.9 0.388 83.0 89.7-114.6 -0.2 25.5 15.7 1.5 194 194 A I G X 5S+ 0 0 79 -3,-2.6 3,-3.2 1,-0.2 4,-0.5 0.975 82.6 60.5 -59.6 -48.7 24.5 19.3 0.8 195 195 A P G 3 5S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.689 100.0 58.4 -50.9 -20.9 21.1 18.1 -0.7 196 196 A D G < 5S- 0 0 68 -3,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.324 124.8-101.1 -92.0 4.5 20.4 16.6 2.7 197 197 A G T < 5S+ 0 0 75 -3,-3.2 -3,-0.2 1,-0.3 -4,-0.0 0.788 84.8 127.4 79.0 24.9 20.6 19.9 4.5 198 198 A K < - 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