==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-06 2IK9 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 561 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.7 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 . 2 0.4 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 . 53 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 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 . 3 4 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 . 4 8 6 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 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 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 0 124 0, 0.0 21,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.1 42.8 -3.0 43.0 2 2 A Y E +A 21 0A 59 19,-0.2 2,-0.2 129,-0.1 19,-0.2 -0.774 360.0 158.5 -95.1 132.6 44.5 -1.8 39.8 3 3 A T E -A 20 0A 57 17,-2.0 17,-2.7 -2,-0.4 2,-0.3 -0.753 32.3-111.5-133.2-178.0 43.8 1.6 38.3 4 4 A T E -A 19 0A 55 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.917 10.4-155.7-122.9 150.8 45.6 3.9 35.9 5 5 A R E -A 18 0A 38 13,-2.7 13,-2.6 -2,-0.3 2,-0.5 -0.975 16.4-157.8-123.3 114.9 47.1 7.3 36.2 6 6 A Q E -A 17 0A 27 -2,-0.5 256,-2.2 11,-0.2 2,-0.5 -0.820 5.9-165.3 -98.8 128.7 47.4 9.3 33.0 7 7 A I E -Ab 16 262A 23 9,-3.0 9,-2.0 -2,-0.5 256,-0.2 -0.950 58.1 -16.9-103.9 127.4 49.9 12.2 32.5 8 8 A G E S- b 0 263A 8 254,-1.1 256,-1.4 -2,-0.5 2,-0.4 -0.140 96.6 -40.6 81.1-175.0 49.2 14.5 29.5 9 9 A A > - 0 0 14 254,-0.2 3,-0.7 1,-0.1 6,-0.4 -0.794 61.1-108.8 -92.2 135.5 47.1 14.2 26.4 10 10 A K T 3 S+ 0 0 57 254,-0.5 257,-2.7 -2,-0.4 3,-0.1 -0.257 103.6 34.4 -54.4 147.0 46.9 10.9 24.5 11 11 A N T 3 S+ 0 0 19 1,-0.3 2,-0.3 255,-0.2 -1,-0.2 0.765 99.8 103.7 71.5 30.9 48.7 11.0 21.1 12 12 A T S X S- 0 0 26 -3,-0.7 3,-0.9 1,-0.0 58,-0.4 -0.904 82.7-112.9-133.3 163.4 51.5 13.4 22.4 13 13 A L T 3 S+ 0 0 100 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.752 115.2 56.1 -63.4 -25.4 55.1 13.0 23.4 14 14 A E T 3 S+ 0 0 123 -5,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.559 78.5 118.3 -87.6 -10.9 54.2 13.8 27.0 15 15 A Y < + 0 0 2 -3,-0.9 55,-0.5 -6,-0.4 2,-0.3 -0.373 34.3 165.4 -63.2 129.2 51.6 11.1 27.4 16 16 A K E -A 7 0A 49 -9,-2.0 -9,-3.0 53,-0.1 2,-0.5 -0.991 21.5-160.0-141.5 140.7 52.3 8.5 30.1 17 17 A V E -AC 6 68A 3 51,-2.1 51,-3.0 -2,-0.3 2,-0.3 -0.983 11.0-170.2-122.4 118.3 50.1 5.9 31.8 18 18 A Y E -A 5 0A 17 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.4 -0.813 21.2-127.1 -98.9 146.9 51.2 4.5 35.1 19 19 A I E -AD 4 26A 0 7,-0.6 7,-2.4 -2,-0.3 2,-0.4 -0.806 25.2-156.1 -89.7 133.7 49.5 1.5 36.8 20 20 A E E -AD 3 25A 27 -17,-2.7 -17,-2.0 -2,-0.4 2,-0.6 -0.905 10.2-155.2-109.5 140.0 48.4 2.1 40.4 21 21 A K E > S-AD 2 24A 94 3,-3.0 3,-2.1 -2,-0.4 -19,-0.2 -0.979 87.4 -20.4-110.7 117.9 47.8 -0.5 43.1 22 22 A D T 3 S- 0 0 104 -21,-2.7 -1,-0.2 -2,-0.6 -20,-0.1 0.892 132.8 -47.1 47.4 47.3 45.4 0.9 45.6 23 23 A G T 3 S+ 0 0 40 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.270 118.3 108.6 85.6 -10.0 46.2 4.4 44.4 24 24 A K E < S-D 21 0A 101 -3,-2.1 -3,-3.0 1,-0.0 -1,-0.2 -0.875 71.3-118.9-106.1 125.3 50.0 4.0 44.5 25 25 A P E +D 20 0A 2 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.339 36.6 178.0 -59.1 138.7 52.0 3.8 41.2 26 26 A V E -D 19 0A 7 -7,-2.4 -7,-0.6 39,-0.1 2,-0.4 -0.844 40.9 -78.8-131.5 167.7 53.9 0.6 40.8 27 27 A S >> - 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.6 -0.593 29.0-153.5 -74.0 124.8 56.1 -0.7 38.0 28 28 A A T 45S+ 0 0 0 37,-1.9 -1,-0.2 -2,-0.4 38,-0.1 0.707 97.1 42.1 -68.1 -19.9 54.0 -2.0 35.1 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.8 36,-0.1 70,-0.2 0.887 129.8 18.7 -88.3 -49.2 57.0 -4.3 34.2 30 30 A H T 45S+ 0 0 0 210,-0.2 -2,-0.2 67,-0.2 211,-0.1 0.729 118.5 51.8-103.3 -28.0 58.1 -5.6 37.6 31 31 A D T <5S+ 0 0 6 -4,-1.9 -3,-0.2 34,-0.1 -1,-0.1 0.558 84.5 85.6 -99.7 -10.8 55.4 -5.1 40.2 32 32 A I S >S-F 42 0B 63 5,-2.3 5,-2.4 1,-0.1 3,-0.6 -0.772 72.3-174.6-146.7 93.0 46.1 -17.7 39.9 38 38 A K G > 5S+ 0 0 132 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.901 82.2 57.1 -60.0 -44.2 49.2 -19.8 39.5 39 39 A E G 3 5S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.799 116.4 36.3 -60.5 -29.6 47.5 -23.1 40.2 40 40 A N G < 5S- 0 0 109 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.197 111.9-114.9-108.9 16.3 45.0 -22.6 37.4 41 41 A N T < 5 + 0 0 51 -3,-1.6 2,-0.6 -4,-0.2 95,-0.6 0.861 58.6 156.8 54.6 40.5 47.4 -20.8 35.0 42 42 A I E < -FG 37 135B 28 -5,-2.4 -6,-2.7 93,-0.1 -5,-2.3 -0.897 23.6-162.1 -97.7 123.1 45.5 -17.5 35.1 43 43 A F E -FG 35 134B 1 91,-2.7 91,-2.6 -2,-0.6 2,-0.5 -0.691 20.3-123.2-106.4 152.1 47.9 -14.6 34.1 44 44 A N E - G 0 133B 9 -10,-2.4 2,-0.5 -11,-0.4 89,-0.2 -0.865 29.1-160.6 -88.1 125.6 47.8 -10.9 34.6 45 45 A M E - G 0 132B 0 87,-3.3 87,-2.2 -2,-0.5 2,-0.7 -0.932 10.3-146.2-104.2 132.8 48.0 -9.1 31.2 46 46 A V E -HG 95 131B 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.4 -0.888 20.9-141.5 -92.8 117.8 49.1 -5.5 31.0 47 47 A V E +H 94 0B 0 83,-2.8 82,-3.3 -2,-0.7 47,-0.3 -0.693 30.3 166.0 -83.2 129.0 47.2 -4.0 28.1 48 48 A E E + 0 0 13 45,-2.3 46,-0.2 -2,-0.4 -1,-0.2 0.802 65.8 29.4-102.1 -46.4 49.1 -1.5 26.0 49 49 A I E S-H 93 0B 1 44,-2.8 44,-2.9 78,-0.1 -1,-0.3 -0.970 73.0-135.3-130.1 115.3 47.1 -1.0 22.8 50 50 A P > - 0 0 15 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.397 41.7 -89.7 -65.2 145.9 43.3 -1.3 22.4 51 51 A R T 3 S+ 0 0 6 1,-0.2 39,-0.2 73,-0.1 41,-0.1 -0.281 111.6 21.0 -53.8 139.4 42.0 -3.3 19.4 52 52 A W T 3 S+ 0 0 14 37,-3.4 -1,-0.2 35,-0.4 2,-0.2 0.568 98.1 114.9 72.6 22.1 41.4 -1.1 16.3 53 53 A T < - 0 0 49 -3,-1.5 36,-2.1 36,-0.2 -1,-0.3 -0.648 51.5-155.5-111.4 169.9 43.7 1.7 17.4 54 54 A N + 0 0 22 -2,-0.2 26,-2.8 34,-0.2 -1,-0.1 0.686 54.7 107.5-117.8 -31.8 47.0 2.8 15.8 55 55 A A B -O 79 0C 8 24,-0.2 2,-1.6 1,-0.1 24,-0.2 -0.329 68.8-130.3 -61.3 130.2 49.2 4.6 18.4 56 56 A K + 0 0 16 22,-2.5 15,-3.3 15,-0.2 2,-0.3 -0.614 36.4 177.0 -87.4 83.8 52.1 2.3 19.3 57 57 A L E +E 70 0A 5 -2,-1.6 2,-0.3 13,-0.3 13,-0.2 -0.714 3.7 171.2 -90.0 138.9 51.9 2.5 23.1 58 58 A E E -E 69 0A 66 11,-2.4 11,-2.4 -2,-0.3 2,-0.2 -0.998 43.6 -97.6-148.5 143.1 54.3 0.3 25.1 59 59 A I E -E 68 0A 10 -2,-0.3 2,-0.8 9,-0.3 9,-0.3 -0.478 49.3-127.9 -50.7 126.8 55.6 -0.3 28.6 60 60 A T > - 0 0 11 7,-2.4 3,-0.9 -2,-0.2 6,-0.1 -0.766 22.2-168.9 -94.2 110.3 58.7 1.8 28.7 61 61 A K T 3 S+ 0 0 25 -2,-0.8 177,-3.1 1,-0.2 -1,-0.2 0.835 84.5 54.8 -63.3 -30.9 61.7 -0.2 29.9 62 62 A E T 3 S+ 0 0 114 175,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.463 94.2 76.8 -88.8 -6.0 63.9 2.9 30.2 63 63 A E S X S- 0 0 58 -3,-0.9 3,-2.5 4,-0.2 175,-0.1 -0.830 91.6 -92.8-113.4 149.2 61.7 5.0 32.6 64 64 A T T 3 S+ 0 0 63 -2,-0.3 -2,-0.1 1,-0.3 177,-0.1 -0.358 112.7 8.0 -67.2 129.6 61.1 4.6 36.3 65 65 A L T 3 S- 0 0 0 175,-0.4 -37,-1.9 1,-0.2 -46,-0.3 0.426 110.6-106.7 69.7 8.6 58.1 2.4 37.1 66 66 A N < - 0 0 0 -3,-2.5 -1,-0.2 -39,-0.2 -2,-0.1 0.857 46.8-165.1 49.9 54.5 57.9 1.6 33.4 67 67 A P - 0 0 0 0, 0.0 -7,-2.4 0, 0.0 2,-0.5 -0.219 27.5-101.9 -64.0 159.1 54.9 3.7 32.4 68 68 A I E +CE 17 59A 0 -51,-3.0 -51,-2.1 -9,-0.3 2,-0.3 -0.751 52.8 165.6 -83.0 125.2 53.2 3.1 29.1 69 69 A I E - E 0 58A 32 -11,-2.4 -11,-2.4 -2,-0.5 2,-0.4 -0.922 43.3 -90.9-135.4 161.7 54.2 5.8 26.6 70 70 A Q E - E 0 57A 7 -55,-0.5 -13,-0.3 -58,-0.4 9,-0.1 -0.599 46.2-119.2 -76.3 129.3 53.9 6.2 22.8 71 71 A D - 0 0 45 -15,-3.3 7,-2.6 -2,-0.4 2,-0.3 -0.285 29.8-153.5 -64.1 153.6 56.9 4.8 21.0 72 72 A T E -P 77 0D 55 5,-0.2 2,-0.5 -59,-0.0 5,-0.2 -0.927 14.0-151.5-131.5 153.6 59.0 7.2 18.9 73 73 A K E > S-P 76 0D 77 3,-2.5 3,-2.0 -2,-0.3 -2,-0.0 -0.973 84.8 -28.0-126.0 109.3 61.2 7.0 15.9 74 74 A K T 3 S- 0 0 192 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.887 130.6 -42.8 49.2 45.4 63.9 9.7 15.8 75 75 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.307 115.9 111.6 91.0 -9.2 61.7 12.0 17.7 76 76 A K E < S-P 73 0D 156 -3,-2.0 -3,-2.5 1,-0.0 -1,-0.2 -0.830 73.0-107.6-102.7 137.6 58.4 11.3 15.9 77 77 A L E -P 72 0D 47 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.359 35.8-129.3 -58.4 136.1 55.4 9.5 17.4 78 78 A R + 0 0 86 -7,-2.6 -22,-2.5 -22,-0.2 2,-0.4 -0.782 29.4 174.1 -95.7 130.4 54.9 6.0 16.0 79 79 A F B -O 55 0C 33 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.987 30.7-126.2-127.6 139.3 51.6 4.8 14.7 80 80 A V - 0 0 0 -26,-2.8 2,-0.1 -2,-0.4 110,-0.1 -0.690 33.5-127.2 -76.8 139.0 50.9 1.4 12.9 81 81 A R - 0 0 45 108,-0.5 2,-0.5 -2,-0.3 195,-0.1 -0.470 24.9 -97.3 -84.5 158.9 49.2 2.1 9.6 82 82 A N E -q 276 0E 1 193,-0.9 195,-3.0 191,-0.4 2,-0.6 -0.705 36.7-162.8 -79.3 123.7 46.0 0.4 8.5 83 83 A C E > -q 277 0E 0 -2,-0.5 3,-2.8 5,-0.3 195,-0.2 -0.926 38.7 -81.0-114.6 106.5 46.8 -2.6 6.3 84 84 A F T 3 S+ 0 0 29 193,-2.8 195,-0.3 -2,-0.6 3,-0.1 -0.178 115.1 16.0 -52.4 136.1 43.7 -3.7 4.3 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.926 117.6 79.8 -89.4 16.6 41.5 -5.4 5.4 86 86 A H < - 0 0 3 -3,-2.8 2,-0.6 280,-0.1 280,-0.1 -0.493 62.4-146.2 -93.2 153.3 42.6 -4.7 8.9 87 87 A H - 0 0 23 -2,-0.2 -35,-0.4 -5,-0.1 -5,-0.1 -0.954 61.0 -58.6-118.6 107.1 42.1 -1.6 11.1 88 88 A G S S- 0 0 0 -2,-0.6 -5,-0.3 -36,-0.1 2,-0.3 -0.238 115.3 -2.1 58.4-144.6 45.0 -0.7 13.4 89 89 A Y - 0 0 6 -36,-2.1 -37,-3.4 -39,-0.3 -36,-0.2 -0.583 62.8-152.5 -73.4 139.3 45.8 -3.6 15.8 90 90 A I S S+ 0 0 3 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.406 75.3 44.7 -99.6 4.5 43.5 -6.5 15.4 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.7 -42,-0.1 -39,-0.2 -0.913 96.2 -97.0-130.6 159.9 43.9 -7.7 19.0 92 92 A N E - I 0 120B 0 28,-2.2 28,-3.1 -2,-0.3 2,-0.4 -0.784 60.1-153.0 -69.4 119.3 43.9 -6.1 22.4 93 93 A Y E +HI 49 119B 18 -44,-2.9 -44,-2.8 -2,-0.7 -45,-2.3 -0.855 34.2 107.7-114.5 136.4 47.6 -6.0 22.5 94 94 A G E -HI 47 118B 0 24,-2.3 24,-2.3 -2,-0.4 2,-0.3 -0.760 48.0 -89.5-169.1-144.9 50.0 -6.0 25.5 95 95 A A E -HI 46 117B 2 -49,-2.3 -49,-2.7 22,-0.3 22,-0.2 -0.957 25.2-110.6-150.8 159.0 52.5 -7.9 27.6 96 96 A F > - 0 0 0 20,-1.9 3,-0.6 -2,-0.3 20,-0.4 -0.894 39.2-131.2 -93.7 127.3 52.9 -10.2 30.5 97 97 A P T 3 S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.290 88.4 34.1 -71.5 161.8 54.6 -8.4 33.4 98 98 A Q T 3 S+ 0 0 21 -69,-2.8 2,-0.3 1,-0.2 125,-0.2 0.805 96.2 110.0 57.5 33.9 57.5 -10.2 35.1 99 99 A T < + 0 0 0 -3,-0.6 2,-0.3 -70,-0.2 -1,-0.2 -0.956 41.2 178.0-129.7 154.0 58.6 -11.7 31.8 100 100 A W - 0 0 0 119,-1.3 2,-1.1 -2,-0.3 122,-0.2 -0.913 28.0-137.7-157.9 125.7 61.7 -10.8 29.7 101 101 A E - 0 0 8 13,-2.3 12,-2.2 -2,-0.3 13,-0.1 -0.758 31.4-137.9 -85.0 99.0 63.2 -12.2 26.5 102 102 A D - 0 0 46 -2,-1.1 9,-0.9 1,-0.2 10,-0.0 -0.391 5.2-150.5 -62.1 119.6 66.9 -12.4 27.4 103 103 A P 0 0 35 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.536 360.0 360.0 -72.6 -5.7 68.8 -11.1 24.3 104 104 A N 0 0 132 6,-0.1 128,-0.1 129,-0.1 -2,-0.1 -0.929 360.0 360.0-106.7 360.0 71.8 -13.3 25.2 105 ! 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 0.0 106 109 A E 0 0 161 0, 0.0 96,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.5 63.8 -23.9 17.5 107 110 A T - 0 0 27 2,-0.1 3,-0.1 94,-0.1 34,-0.0 0.671 360.0-151.2 -92.8 -20.3 63.6 -20.2 16.3 108 111 A K + 0 0 214 1,-0.2 2,-0.3 40,-0.0 0, 0.0 0.747 59.9 108.6 50.3 32.1 67.4 -19.6 16.1 109 112 A A S S- 0 0 28 38,-0.0 38,-0.2 0, 0.0 -1,-0.2 -0.992 71.1-107.9-135.0 144.2 66.9 -15.9 16.8 110 113 A V E -j 147 0B 78 36,-0.9 38,-2.9 -2,-0.3 -6,-0.1 -0.118 40.8 -85.5 -70.9 162.6 67.8 -14.0 19.9 111 114 A G E -j 148 0B 14 -9,-0.9 -1,-0.1 36,-0.2 38,-0.1 -0.294 32.1-130.6 -59.2 151.7 65.4 -12.7 22.6 112 115 A D - 0 0 7 36,-0.6 -10,-0.1 2,-0.2 -1,-0.1 0.345 34.1-118.5 -93.9 5.5 64.0 -9.2 21.9 113 116 A N S S+ 0 0 32 -12,-2.2 -11,-0.1 1,-0.2 -2,-0.0 0.539 80.8 100.0 73.3 8.4 64.9 -7.7 25.4 114 117 A D S S- 0 0 45 -13,-0.1 -13,-2.3 1,-0.1 -1,-0.2 -0.770 83.3 -84.7-118.0 165.1 61.2 -7.0 26.1 115 118 A P - 0 0 8 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.268 64.3 -84.5 -55.5 155.0 58.4 -8.7 28.1 116 119 A I - 0 0 0 -20,-0.4 -20,-1.9 100,-0.1 2,-0.2 -0.405 49.4-116.6 -67.2 142.2 56.6 -11.4 26.2 117 120 A D E -Ik 95 151B 12 33,-1.5 35,-2.9 -22,-0.2 2,-0.4 -0.555 25.0-155.8 -85.3 147.5 53.8 -10.1 23.9 118 121 A V E -Ik 94 152B 0 -24,-2.3 -24,-2.3 33,-0.2 2,-0.6 -0.987 9.7-161.5-130.7 129.1 50.1 -11.0 24.4 119 122 A L E -Ik 93 153B 0 33,-3.5 35,-2.9 -2,-0.4 2,-0.6 -0.952 13.7-161.0-107.4 109.6 47.3 -11.0 21.9 120 123 A E E -Ik 92 154B 1 -28,-3.1 -28,-2.2 -2,-0.6 35,-0.2 -0.861 5.7-171.2-102.2 122.3 44.0 -10.9 23.8 121 124 A I + 0 0 15 33,-2.4 34,-0.1 -2,-0.6 -1,-0.1 0.316 36.4 122.9-102.2 3.3 41.2 -12.1 21.5 122 125 A G - 0 0 3 32,-0.2 -30,-0.1 2,-0.1 -2,-0.0 -0.030 69.8-106.9 -69.2 173.0 38.0 -11.4 23.4 123 126 A E S S+ 0 0 39 435,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.862 90.9 81.1 -70.4 -38.8 35.0 -9.3 22.4 124 127 A T S S- 0 0 45 1,-0.1 2,-0.4 434,-0.1 -73,-0.1 -0.508 80.4-123.2 -80.0 135.2 35.5 -6.2 24.6 125 128 A I - 0 0 47 -2,-0.3 -1,-0.1 429,-0.2 -2,-0.1 -0.615 32.1-140.7 -75.3 129.3 37.9 -3.5 23.6 126 129 A A - 0 0 8 -2,-0.4 2,-0.3 -77,-0.1 -1,-0.1 -0.123 7.4-121.9 -82.6 177.6 40.5 -3.0 26.4 127 130 A Y > - 0 0 117 -78,-0.1 3,-2.2 -77,-0.1 -80,-0.2 -0.941 33.0 -92.0-124.0 151.1 42.0 0.2 27.7 128 131 A T T 3 S+ 0 0 10 -2,-0.3 -80,-0.2 1,-0.3 3,-0.1 -0.384 113.2 17.6 -62.0 127.5 45.7 1.2 28.0 129 132 A G T 3 S+ 0 0 2 -82,-3.3 -1,-0.3 1,-0.3 -81,-0.1 0.374 88.9 146.7 88.4 -2.9 47.1 0.3 31.3 130 133 A Q < - 0 0 34 -3,-2.2 -83,-2.8 -83,-0.2 2,-0.6 -0.412 40.2-149.3 -60.5 137.0 44.3 -2.2 32.1 131 134 A V E +G 46 0B 17 -85,-0.2 2,-0.3 -129,-0.1 -85,-0.2 -0.958 27.7 173.2-105.1 111.2 45.3 -5.2 34.1 132 135 A K E -G 45 0B 6 -87,-2.2 -87,-3.3 -2,-0.6 2,-0.5 -0.857 32.5-119.0-119.3 160.8 43.1 -8.1 33.0 133 136 A Q E +G 44 0B 56 -2,-0.3 24,-2.4 -89,-0.2 25,-0.4 -0.848 40.1 175.5-101.8 128.0 43.1 -11.7 33.9 134 137 A V E -GL 43 156B 0 -91,-2.6 -91,-2.7 -2,-0.5 2,-0.4 -0.914 28.4-135.0-134.1 155.5 43.6 -14.1 31.0 135 138 A K E -GL 42 155B 40 20,-2.4 20,-2.0 -2,-0.3 2,-0.3 -0.902 29.3-122.2-106.7 141.0 44.1 -17.7 30.0 136 139 A A E + L 0 154B 3 -95,-0.6 18,-0.2 -2,-0.4 3,-0.1 -0.652 29.8 173.8 -82.5 135.4 46.7 -18.7 27.5 137 140 A L E - 0 0 0 16,-3.2 31,-0.8 1,-0.4 72,-0.5 0.653 59.7 -44.3-111.2 -29.4 45.5 -20.6 24.5 138 141 A G E -ML 208 153B 0 15,-1.3 15,-2.6 70,-0.2 -1,-0.4 -0.967 52.6-119.6 177.6-169.7 48.6 -20.9 22.3 139 142 A I E -ML 207 152B 0 68,-2.0 68,-2.7 -2,-0.3 2,-0.3 -0.995 7.4-156.5-158.9 142.7 51.7 -19.1 21.0 140 143 A M E - L 0 151B 3 11,-2.4 11,-3.0 -2,-0.3 2,-0.6 -0.912 16.1-137.7-119.1 153.6 53.4 -18.0 17.8 141 144 A A E - L 0 150B 0 64,-0.4 60,-2.7 -2,-0.3 2,-0.4 -0.927 20.1-166.0-113.7 107.0 57.0 -17.1 17.2 142 145 A L E -NL 200 149B 0 7,-2.3 7,-3.2 -2,-0.6 2,-0.6 -0.745 9.6-149.6 -91.8 139.8 57.6 -14.0 15.0 143 146 A L E +NL 199 148B 36 56,-3.6 56,-1.9 -2,-0.4 2,-0.4 -0.954 24.8 167.3-110.2 114.7 60.9 -13.3 13.5 144 147 A D E > - L 0 147B 7 3,-2.4 3,-1.3 -2,-0.6 54,-0.1 -0.984 67.8 -22.4-134.1 116.2 61.5 -9.6 13.1 145 148 A E T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.890 126.7 -47.3 50.1 49.4 64.9 -8.1 12.3 146 149 A G T 3 S+ 0 0 61 1,-0.2 -36,-0.9 -37,-0.0 2,-0.4 0.618 117.9 104.6 74.4 13.6 66.8 -11.1 13.6 147 150 A E E < -jL 110 144B 71 -3,-1.3 -3,-2.4 -38,-0.2 2,-0.5 -0.953 68.2-125.5-126.4 147.6 64.9 -11.3 16.9 148 151 A T E -jL 111 143B 3 -38,-2.9 -36,-0.6 -2,-0.4 2,-0.6 -0.810 21.8-170.4 -87.7 126.3 62.2 -13.7 18.1 149 152 A E E - L 0 142B 22 -7,-3.2 -7,-2.3 -2,-0.5 2,-0.3 -0.945 13.8-149.5-116.2 104.3 59.0 -12.0 19.3 150 153 A W E - L 0 141B 28 -2,-0.6 -33,-1.5 -9,-0.2 2,-0.6 -0.594 7.5-160.2 -75.2 134.1 56.8 -14.5 21.0 151 154 A K E -kL 117 140B 1 -11,-3.0 -11,-2.4 -2,-0.3 2,-0.4 -0.939 4.6-155.6-118.9 105.2 53.1 -13.7 20.7 152 155 A V E -kL 118 139B 0 -35,-2.9 -33,-3.5 -2,-0.6 2,-0.6 -0.670 9.7-141.7 -81.0 132.2 50.9 -15.5 23.3 153 156 A I E +kL 119 138B 3 -15,-2.6 -16,-3.2 -2,-0.4 -15,-1.3 -0.868 37.3 161.4 -95.0 123.7 47.3 -15.9 22.2 154 157 A A E -kL 120 136B 0 -35,-2.9 -33,-2.4 -2,-0.6 2,-0.4 -0.884 29.9-145.2-141.3 163.7 45.1 -15.3 25.2 155 158 A I E - L 0 135B 0 -20,-2.0 -20,-2.4 -2,-0.3 2,-0.1 -0.999 29.5-108.0-138.2 139.8 41.5 -14.6 26.3 156 159 A D E > - L 0 134B 18 -2,-0.4 3,-1.8 -22,-0.2 -22,-0.3 -0.389 25.9-136.2 -55.2 127.5 40.0 -12.5 29.1 157 160 A I T 3 S+ 0 0 66 -24,-2.4 -1,-0.2 1,-0.3 -23,-0.1 0.692 104.4 60.3 -66.1 -17.2 38.6 -14.9 31.7 158 161 A N T 3 S+ 0 0 126 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.486 77.7 114.9 -85.1 -6.4 35.5 -12.6 31.9 159 162 A D S X S- 0 0 12 -3,-1.8 3,-1.9 1,-0.1 -4,-0.0 -0.427 77.1-123.4 -63.1 137.7 34.8 -13.0 28.2 160 163 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.803 112.3 46.1 -49.8 -32.6 31.4 -14.8 27.6 161 164 A L T >> S+ 0 0 50 1,-0.2 3,-1.8 2,-0.1 4,-0.6 0.497 81.3 101.4 -88.3 -6.0 33.2 -17.5 25.5 162 165 A A G X4 S+ 0 0 3 -3,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.876 76.2 57.3 -53.2 -44.2 36.1 -18.1 27.9 163 166 A P G 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.793 108.2 48.6 -57.3 -25.1 34.7 -21.3 29.4 164 167 A K G <4 S+ 0 0 125 -3,-1.8 2,-0.6 -4,-0.1 -2,-0.2 0.480 98.9 77.8 -90.4 -5.3 34.6 -22.8 25.9 165 168 A L << + 0 0 0 -3,-1.7 3,-0.1 -4,-0.6 -1,-0.1 -0.926 42.3 135.9-112.6 112.2 38.2 -21.8 25.0 166 169 A N + 0 0 85 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.623 66.4 17.7-123.6 -29.7 40.9 -24.0 26.5 167 170 A D S >> S- 0 0 36 41,-0.1 3,-1.8 42,-0.1 4,-0.6 -0.889 86.5 -88.5-146.3 174.2 43.5 -24.7 23.8 168 171 A I H >> S+ 0 0 11 -31,-0.8 3,-1.1 1,-0.3 4,-1.1 0.803 117.9 62.9 -63.0 -31.4 44.6 -23.4 20.4 169 172 A E H 3> S+ 0 0 101 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.799 94.5 63.5 -62.0 -29.6 42.2 -25.5 18.4 170 173 A D H <> S+ 0 0 40 -3,-1.8 4,-2.4 1,-0.2 5,-0.3 0.784 95.5 58.9 -67.9 -27.9 39.3 -23.7 20.1 171 174 A V H < S- 0 0 13 -4,-2.3 3,-2.5 -5,-0.3 4,-0.5 -0.411 79.8-172.3-129.7 54.6 37.2 -17.3 15.8 176 179 A P T 3 S+ 0 0 35 0, 0.0 387,-0.2 0, 0.0 -4,-0.1 -0.269 73.2 15.9 -59.9 131.0 37.7 -18.8 12.3 177 180 A G T 3> S+ 0 0 38 386,-0.1 4,-2.6 384,-0.1 5,-0.2 0.171 95.0 104.9 92.5 -15.2 40.2 -16.8 10.3 178 181 A L H <> S+ 0 0 4 -3,-2.5 4,-2.4 -7,-0.3 5,-0.2 0.919 80.9 48.8 -66.8 -39.3 41.6 -15.0 13.3 179 182 A L H > S+ 0 0 25 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.917 112.5 48.7 -66.6 -40.6 44.8 -17.0 13.3 180 183 A R H > S+ 0 0 185 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.936 111.8 48.9 -60.3 -45.9 45.2 -16.5 9.6 181 184 A A H X S+ 0 0 8 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.878 110.2 52.3 -61.2 -39.3 44.6 -12.7 10.0 182 185 A T H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.908 109.4 48.9 -62.3 -47.1 47.2 -12.7 12.9 183 186 A N H X S+ 0 0 21 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.963 115.9 43.3 -55.4 -52.1 49.8 -14.4 10.6 184 187 A E H X S+ 0 0 74 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.931 112.1 53.2 -61.9 -47.3 49.2 -11.9 7.9 185 188 A W H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.930 110.6 44.0 -58.6 -50.1 49.1 -8.9 10.1 186 189 A F H < S+ 0 0 0 -4,-2.1 12,-0.3 1,-0.2 -1,-0.2 0.790 113.3 54.0 -71.0 -23.4 52.4 -9.5 11.9 187 190 A R H < S+ 0 0 90 -4,-1.6 11,-2.3 -5,-0.2 -1,-0.2 0.914 123.4 23.2 -68.9 -42.4 54.0 -10.3 8.5 188 191 A I H >< S+ 0 0 18 -4,-2.2 3,-1.9 9,-0.2 -2,-0.2 0.536 88.6 100.4-106.2 -8.3 52.9 -7.1 6.8 189 192 A Y T 3< S+ 0 0 12 -4,-2.2 -108,-0.5 1,-0.3 -1,-0.1 0.666 88.9 43.4 -65.9 -18.7 52.3 -4.4 9.5 190 193 A K T > >S+ 0 0 50 -3,-0.2 5,-1.9 6,-0.2 3,-1.2 0.463 87.7 91.1 -99.4 -2.4 55.7 -2.6 9.0 191 194 A I G X 5S+ 0 0 52 -3,-1.9 3,-2.4 1,-0.3 -2,-0.2 0.918 82.2 56.5 -60.6 -42.1 55.6 -2.7 5.2 192 195 A P G 3 5S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.730 103.7 56.1 -61.5 -18.0 53.9 0.7 5.0 193 196 A D G < 5S- 0 0 77 -3,-1.2 -2,-0.2 2,-0.1 -3,-0.1 0.381 125.0-105.1 -87.7 -0.2 56.8 2.0 7.1 194 197 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.3 -4,-0.0 0.668 80.3 129.5 81.7 20.6 59.3 0.8 4.5 195 198 A K < - 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0 0 65 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.646 63.0 -96.1 -99.8 159.2 18.5 -11.4 9.2 479 199 B P - 0 0 91 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.254 45.6 -87.7 -68.2 162.1 19.4 -13.6 6.2 480 200 B E - 0 0 103 -7,-0.1 -9,-0.2 -8,-0.1 -10,-0.1 -0.496 50.1-127.6 -60.5 135.3 22.5 -13.2 4.1 481 201 B N - 0 0 10 -11,-2.5 2,-0.3 -12,-0.3 -54,-0.2 -0.318 18.0-138.0 -79.7 171.4 21.8 -10.7 1.3 482 202 B Q E -F 426 0H 127 -56,-1.9 -56,-3.7 -2,-0.1 2,-0.4 -0.947 4.4-141.3-128.8 152.3 22.3 -11.3 -2.4 483 203 B F E > -F 425 0H 25 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.884 18.2-123.5-108.1 148.0 23.8 -9.2 -5.2 484 204 B A G > S+ 0 0 39 -60,-2.8 3,-2.1 -2,-0.4 -60,-0.3 -0.321 96.3 34.4 -70.1 164.7 22.6 -9.0 -8.8 485 205 B F G > S- 0 0 73 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.749 131.4 -75.5 61.0 27.1 25.1 -9.8 -11.5 486 206 B S G < S- 0 0 122 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.807 93.3 -54.7 48.2 35.5 26.7 -12.4 -9.2 487 207 B G G < S+ 0 0 10 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.390 95.6 150.0 85.4 -1.4 28.2 -9.4 -7.3 488 208 B E < - 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