==== 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 2IK6 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 550 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 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 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 . 4 10 6 2 2 3 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 . 5 0 1 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 0 126 0, 0.0 21,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 129.2 29.2 -2.6 -8.9 2 2 A Y E +A 21 0A 60 19,-0.2 19,-0.2 123,-0.1 2,-0.2 -0.827 360.0 158.1 -95.9 130.9 27.3 -1.6 -5.7 3 3 A T E -A 20 0A 60 17,-2.2 17,-2.3 -2,-0.5 2,-0.4 -0.672 32.7-110.7-128.6-172.7 28.0 1.8 -4.0 4 4 A T E -A 19 0A 53 15,-0.2 2,-0.5 -2,-0.2 15,-0.2 -0.956 10.5-155.2-124.6 150.5 26.1 4.0 -1.6 5 5 A R E -A 18 0A 35 13,-2.6 13,-2.7 -2,-0.4 2,-0.5 -0.969 16.1-157.8-123.3 115.3 24.5 7.4 -1.9 6 6 A Q E -A 17 0A 49 -2,-0.5 247,-3.2 11,-0.2 2,-0.5 -0.816 4.9-164.7 -98.6 124.3 24.1 9.3 1.4 7 7 A I E -A 16 0A 29 9,-2.9 9,-2.0 -2,-0.5 245,-0.1 -0.930 58.9 -14.1-101.0 129.4 21.5 12.1 1.8 8 8 A G S S- 0 0 9 -2,-0.5 247,-0.6 7,-0.2 2,-0.4 -0.085 97.5 -42.8 79.8-175.3 22.1 14.3 4.9 9 9 A A > - 0 0 13 245,-0.1 3,-0.7 1,-0.1 6,-0.3 -0.731 60.4-107.8 -90.3 137.9 24.2 14.0 8.0 10 10 A K T 3 S+ 0 0 57 245,-0.4 248,-2.6 -2,-0.4 3,-0.1 -0.296 104.2 33.8 -57.1 147.7 24.6 10.8 9.9 11 11 A N T 3 S+ 0 0 17 1,-0.3 2,-0.3 246,-0.2 -1,-0.2 0.803 100.7 103.7 70.3 32.8 22.7 10.8 13.2 12 12 A T S X S- 0 0 24 -3,-0.7 3,-0.9 246,-0.0 58,-0.3 -0.916 82.7-113.5-132.2 164.2 19.9 13.0 12.0 13 13 A L T 3 S+ 0 0 106 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.741 114.6 58.0 -64.3 -23.8 16.3 12.6 10.9 14 14 A E T 3 S+ 0 0 124 -5,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.568 78.6 118.8 -84.8 -13.3 17.2 13.5 7.3 15 15 A Y < + 0 0 3 -3,-0.9 55,-0.5 -6,-0.3 2,-0.3 -0.350 32.1 161.8 -64.2 131.4 19.8 10.8 6.9 16 16 A K E -A 7 0A 48 -9,-2.0 -9,-2.9 53,-0.1 2,-0.5 -0.986 22.3-158.5-144.9 141.3 19.1 8.2 4.2 17 17 A V E -AB 6 68A 4 51,-1.9 51,-2.8 -2,-0.3 2,-0.3 -0.984 11.0-169.5-121.3 119.6 21.5 5.8 2.5 18 18 A Y E -A 5 0A 16 -13,-2.7 -13,-2.6 -2,-0.5 2,-0.4 -0.804 21.7-126.0 -98.3 147.7 20.5 4.4 -0.9 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.5 -2,-0.3 2,-0.3 -0.806 26.8-157.2 -87.5 134.1 22.3 1.5 -2.6 20 20 A E E -AC 3 25A 26 -17,-2.3 -17,-2.2 -2,-0.4 2,-0.5 -0.913 10.2-155.3-108.1 143.1 23.5 2.4 -6.2 21 21 A K E > S-AC 2 24A 80 3,-2.6 3,-2.2 -2,-0.3 -19,-0.2 -0.988 86.8 -20.0-113.9 119.1 24.3 -0.1 -9.0 22 22 A D T 3 S- 0 0 123 -21,-2.5 -1,-0.2 -2,-0.5 -20,-0.1 0.893 133.4 -47.8 46.1 43.8 26.7 1.5 -11.5 23 23 A G T 3 S+ 0 0 42 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.333 116.7 109.0 87.8 -6.1 25.7 4.9 -10.1 24 24 A K E < S-C 21 0A 40 -3,-2.2 -3,-2.6 1,-0.0 -1,-0.2 -0.901 70.9-115.6-109.4 126.5 21.9 4.5 -10.2 25 25 A P E +C 20 0A 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.325 37.9 178.0 -55.0 133.6 19.8 4.1 -7.0 26 26 A V E -C 19 0A 4 -7,-2.5 -7,-0.6 39,-0.1 2,-0.4 -0.861 39.2 -81.0-127.6 168.2 18.0 0.8 -6.7 27 27 A S >> - 0 0 0 -2,-0.3 4,-2.0 1,-0.1 5,-0.6 -0.594 27.6-155.6 -73.2 123.4 15.8 -0.7 -4.0 28 28 A A T 45S+ 0 0 0 37,-1.7 -1,-0.1 -2,-0.4 38,-0.1 0.671 97.0 44.6 -69.8 -18.6 17.8 -2.1 -1.0 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.9 36,-0.1 70,-0.2 0.885 130.5 15.4 -88.3 -45.8 14.8 -4.4 -0.2 30 30 A H T 45S+ 0 0 0 201,-0.2 -2,-0.2 67,-0.2 4,-0.1 0.703 117.5 54.9-108.6 -28.4 13.9 -5.7 -3.8 31 31 A D T <5S+ 0 0 3 -4,-2.0 -3,-0.2 34,-0.1 -1,-0.1 0.561 85.6 84.0 -92.4 -12.9 16.7 -5.0 -6.3 32 32 A I S >S-E 42 0B 65 5,-2.2 5,-2.1 1,-0.1 3,-0.7 -0.730 71.5-174.2-143.1 93.4 25.9 -17.6 -6.1 38 38 A K G > 5S+ 0 0 121 1,-0.2 3,-1.3 -3,-0.2 -1,-0.1 0.867 81.5 60.6 -57.6 -41.1 22.8 -19.7 -5.6 39 39 A E G 3 5S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.867 115.7 32.5 -55.9 -40.5 24.5 -23.0 -6.4 40 40 A N G < 5S- 0 0 102 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.204 112.4-114.3-103.7 14.0 26.9 -22.6 -3.4 41 41 A N T < 5 + 0 0 49 -3,-1.3 2,-0.6 -4,-0.3 89,-0.6 0.864 57.2 159.2 52.2 43.5 24.4 -20.7 -1.1 42 42 A I E < -EF 37 129B 29 -5,-2.1 -6,-2.6 87,-0.1 -5,-2.2 -0.894 22.8-161.2 -94.5 119.3 26.4 -17.5 -1.2 43 43 A F E -EF 35 128B 1 85,-2.3 85,-2.7 -2,-0.6 2,-0.5 -0.634 19.5-124.3-101.5 150.2 24.0 -14.6 -0.2 44 44 A N E - F 0 127B 10 -10,-2.3 2,-0.4 -11,-0.4 83,-0.2 -0.843 28.5-160.0 -86.2 128.6 24.2 -10.8 -0.6 45 45 A M E - F 0 126B 0 81,-3.0 81,-2.2 -2,-0.5 2,-0.7 -0.966 10.2-146.4-108.1 131.8 23.8 -9.1 2.8 46 46 A V E -GF 95 125B 0 49,-2.7 49,-2.5 -2,-0.4 2,-0.4 -0.882 22.4-139.8 -91.9 115.8 22.7 -5.5 3.0 47 47 A V E +G 94 0B 0 77,-2.8 76,-2.9 -2,-0.7 47,-0.3 -0.632 30.0 168.6 -80.8 131.4 24.6 -4.1 6.0 48 48 A E E + 0 0 6 45,-2.6 46,-0.2 -2,-0.4 -1,-0.2 0.800 66.2 26.2-102.5 -45.5 22.5 -1.7 8.2 49 49 A I E S-G 93 0B 0 44,-2.6 44,-2.8 72,-0.1 -1,-0.3 -0.974 72.7-134.7-132.3 117.8 24.6 -1.2 11.4 50 50 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 39,-0.3 -0.390 41.5 -88.8 -67.0 145.8 28.4 -1.6 11.8 51 51 A R T 3 S+ 0 0 5 1,-0.2 39,-0.2 67,-0.1 41,-0.1 -0.256 111.7 21.5 -50.4 135.7 29.7 -3.5 14.8 52 52 A W T 3 S+ 0 0 13 37,-3.4 -1,-0.2 35,-0.3 2,-0.2 0.618 98.3 114.5 76.5 18.3 30.2 -1.3 17.9 53 53 A T < - 0 0 46 -3,-1.4 36,-2.1 36,-0.2 -1,-0.3 -0.713 50.6-157.2-109.8 170.0 27.9 1.4 16.8 54 54 A N + 0 0 21 -2,-0.2 26,-2.7 34,-0.2 -1,-0.1 0.725 54.5 108.1-117.9 -34.2 24.6 2.5 18.4 55 55 A A B -M 79 0C 8 24,-0.3 2,-1.5 1,-0.1 24,-0.2 -0.311 68.9-131.9 -56.8 122.7 22.4 4.3 15.8 56 56 A K + 0 0 12 22,-2.4 15,-3.0 15,-0.2 2,-0.3 -0.658 36.1 177.8 -85.9 88.7 19.6 1.9 15.0 57 57 A L E +D 70 0A 5 -2,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.708 2.5 167.8 -95.9 142.3 19.7 2.1 11.2 58 58 A E E -D 69 0A 48 11,-2.7 11,-2.4 -2,-0.3 2,-0.2 -0.996 43.9 -97.9-153.8 146.3 17.3 0.0 9.1 59 59 A I E -D 68 0A 9 -2,-0.3 2,-0.6 9,-0.3 9,-0.3 -0.510 46.3-134.5 -53.5 124.7 16.0 -0.5 5.5 60 60 A T > - 0 0 13 7,-2.5 3,-0.6 -2,-0.2 -31,-0.1 -0.805 14.3-161.5 -95.2 126.0 12.7 1.4 5.6 61 61 A K T 3 S+ 0 0 42 -2,-0.6 168,-2.7 1,-0.2 -1,-0.1 0.782 85.5 56.3 -73.0 -23.7 9.9 -0.6 4.0 62 62 A E T 3 S+ 0 0 140 166,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.419 90.3 77.5 -97.9 -0.2 7.7 2.5 3.5 63 63 A E S X S- 0 0 44 -3,-0.6 3,-2.4 4,-0.2 166,-0.1 -0.862 93.1 -90.9-111.7 146.1 9.9 4.8 1.5 64 64 A T T 3 S+ 0 0 58 -2,-0.4 -2,-0.1 1,-0.3 168,-0.1 -0.338 113.0 8.1 -59.6 130.8 10.6 4.5 -2.2 65 65 A L T 3 S- 0 0 0 166,-0.4 -37,-1.7 1,-0.2 -46,-0.3 0.472 111.1-105.9 65.1 7.7 13.6 2.3 -3.0 66 66 A N < - 0 0 0 -3,-2.4 -1,-0.2 -39,-0.2 -38,-0.2 0.855 47.4-164.0 53.4 55.9 13.7 1.5 0.7 67 67 A P - 0 0 0 0, 0.0 -7,-2.5 0, 0.0 2,-0.5 -0.214 26.3-102.2 -67.4 158.3 16.7 3.5 1.8 68 68 A I E +BD 17 59A 1 -51,-2.8 -51,-1.9 -9,-0.3 2,-0.3 -0.763 53.2 165.0 -81.5 127.7 18.4 2.9 5.1 69 69 A I E - D 0 58A 30 -11,-2.4 -11,-2.7 -2,-0.5 2,-0.4 -0.882 41.7 -87.8-134.3 167.2 17.3 5.5 7.7 70 70 A Q E - D 0 57A 7 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.655 43.5-120.1 -81.2 129.7 17.5 5.8 11.5 71 71 A D - 0 0 37 -15,-3.0 7,-2.8 -2,-0.4 2,-0.3 -0.275 32.2-164.7 -60.8 150.6 14.7 4.4 13.4 72 72 A T E -N 77 0D 60 5,-0.3 2,-0.4 -59,-0.0 5,-0.2 -0.970 17.6-151.3-135.5 155.0 12.6 6.7 15.6 73 73 A K E > S-N 76 0D 122 3,-2.2 3,-1.6 -2,-0.3 -2,-0.0 -0.964 84.1 -22.3-130.1 116.9 10.1 6.5 18.4 74 74 A K T 3 S- 0 0 185 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.904 130.7 -45.4 49.9 49.6 7.5 9.2 18.6 75 75 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.274 113.9 113.9 89.6 -10.8 9.8 11.6 16.7 76 76 A K E < S-N 73 0D 153 -3,-1.6 -3,-2.2 1,-0.0 -1,-0.2 -0.807 71.1-110.7-105.2 133.7 13.0 10.9 18.5 77 77 A L E -N 72 0D 48 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.347 34.5-130.6 -59.8 134.4 16.1 9.2 16.9 78 78 A R + 0 0 44 -7,-2.8 -22,-2.4 -22,-0.2 2,-0.4 -0.765 27.8 176.0 -96.5 126.2 16.7 5.7 18.3 79 79 A F B -M 55 0C 28 -2,-0.5 -24,-0.3 -24,-0.2 2,-0.2 -0.998 30.7-126.7-123.1 128.2 20.1 4.6 19.5 80 80 A V - 0 0 0 -26,-2.7 2,-0.1 -2,-0.4 104,-0.1 -0.534 34.4-121.0 -70.3 136.0 20.6 1.2 21.1 81 81 A R - 0 0 46 102,-0.5 2,-0.5 -2,-0.2 186,-0.1 -0.395 21.6-101.8 -83.4 160.2 22.2 1.6 24.5 82 82 A N E -o 267 0E 0 184,-0.9 186,-2.9 182,-0.3 2,-0.6 -0.714 35.5-164.5 -83.9 122.4 25.5 0.0 25.6 83 83 A C E > -o 268 0E 0 -2,-0.5 3,-2.6 5,-0.3 186,-0.2 -0.938 38.2 -80.4-117.1 106.0 24.8 -3.0 27.8 84 84 A F T 3 S+ 0 0 26 184,-2.6 186,-0.3 -2,-0.6 3,-0.1 -0.182 115.3 16.5 -51.4 134.0 27.8 -4.1 29.8 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.940 116.7 79.5 -90.6 14.7 30.1 -5.8 28.7 86 86 A H < - 0 0 4 -3,-2.6 2,-0.6 271,-0.1 271,-0.1 -0.481 62.9-145.4 -87.2 148.0 28.9 -5.0 25.2 87 87 A H - 0 0 23 -2,-0.2 -35,-0.3 -5,-0.1 -5,-0.1 -0.936 62.0 -59.3-112.0 106.5 29.6 -1.9 23.2 88 88 A G S S- 0 0 0 -2,-0.6 2,-0.3 -36,-0.1 -5,-0.3 -0.292 115.4 -1.9 56.4-143.4 26.6 -1.1 20.9 89 89 A Y - 0 0 0 -36,-2.1 -37,-3.4 -39,-0.3 -36,-0.2 -0.636 63.1-152.4 -74.1 138.3 25.9 -3.9 18.5 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.381 74.9 45.7 -95.7 2.3 28.3 -6.8 18.7 91 91 A H S S- 0 0 3 -41,-0.1 2,-0.6 -42,-0.1 24,-0.2 -0.934 94.9 -98.0-129.3 159.8 27.9 -7.9 15.1 92 92 A N E - H 0 114B 0 22,-2.0 22,-3.1 -2,-0.3 2,-0.4 -0.748 57.5-153.7 -66.8 124.8 27.8 -6.3 11.7 93 93 A Y E +GH 49 113B 3 -44,-2.8 -44,-2.6 -2,-0.6 -45,-2.6 -0.869 31.5 114.2-120.9 132.8 24.0 -6.2 11.5 94 94 A G E -GH 47 112B 0 18,-2.0 18,-2.4 -2,-0.4 2,-0.3 -0.832 46.6 -85.7-167.4-157.8 21.9 -6.3 8.5 95 95 A A E -GH 46 111B 0 -49,-2.5 -49,-2.7 16,-0.3 16,-0.2 -0.937 23.8-119.7-135.3 152.6 19.3 -8.0 6.2 96 96 A F > - 0 0 0 14,-2.1 3,-0.6 -2,-0.3 14,-0.3 -0.863 39.7-132.3 -87.4 124.3 19.0 -10.4 3.4 97 97 A P T 3 S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.348 86.5 33.4 -73.0 158.9 17.3 -8.6 0.5 98 98 A Q T 3 S+ 0 0 20 -69,-2.9 2,-0.3 1,-0.2 119,-0.2 0.840 96.3 111.6 63.3 31.4 14.4 -10.2 -1.3 99 99 A T < + 0 0 0 -3,-0.6 2,-0.3 -70,-0.2 -1,-0.2 -0.982 40.3 177.8-130.0 150.4 13.2 -11.8 1.9 100 100 A W - 0 0 13 113,-1.7 2,-1.2 -2,-0.3 116,-0.2 -0.948 28.8-139.6-155.8 123.5 10.1 -11.1 3.8 101 101 A E - 0 0 10 7,-2.2 6,-1.6 -2,-0.3 7,-0.1 -0.784 31.4-142.9 -82.8 97.2 8.7 -12.6 6.9 102 102 A D 0 0 95 -2,-1.2 4,-0.1 1,-0.2 -2,-0.0 -0.549 360.0 360.0 -66.5 116.2 5.0 -12.6 5.8 103 103 A P 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.645 360.0 360.0 -81.7 360.0 3.0 -11.8 9.0 104 ! 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 0.0 105 114 A G 0 0 49 0, 0.0 38,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 116.7 6.0 -13.3 11.3 106 115 A D - 0 0 6 36,-0.7 -4,-0.1 2,-0.2 35,-0.1 0.405 360.0-122.5 -93.3 0.6 7.6 -9.9 11.9 107 116 A N S S+ 0 0 40 -6,-1.6 -5,-0.1 1,-0.2 -1,-0.1 0.528 78.5 96.5 79.4 8.3 6.9 -8.2 8.6 108 117 A D S S- 0 0 45 1,-0.1 -7,-2.2 -7,-0.1 -1,-0.2 -0.755 84.1 -86.7-121.7 166.7 10.6 -7.4 7.8 109 118 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.302 61.6 -87.5 -62.4 160.2 13.4 -9.1 5.8 110 119 A I - 0 0 0 -14,-0.3 -14,-2.1 100,-0.1 2,-0.2 -0.513 48.8-124.0 -73.6 141.8 15.3 -11.7 7.8 111 120 A E E -Hi 95 145B 15 33,-1.4 35,-3.1 -16,-0.2 2,-0.4 -0.624 18.7-150.3 -97.3 155.3 18.1 -10.3 9.8 112 121 A V E -Hi 94 146B 0 -18,-2.4 -18,-2.0 33,-0.2 2,-0.7 -0.979 9.7-156.9-132.8 128.7 21.8 -11.3 9.6 113 122 A L E -Hi 93 147B 0 33,-3.2 35,-2.7 -2,-0.4 2,-0.6 -0.939 17.4-160.9-106.1 105.2 24.6 -11.2 12.2 114 123 A E E -Hi 92 148B 2 -22,-3.1 -22,-2.0 -2,-0.7 35,-0.2 -0.846 6.5-171.4 -95.5 120.9 27.8 -11.1 10.3 115 124 A I + 0 0 14 33,-2.4 34,-0.1 -2,-0.6 -1,-0.1 0.278 36.3 124.5-103.2 9.4 30.7 -12.2 12.6 116 125 A G - 0 0 2 32,-0.2 -24,-0.1 2,-0.1 35,-0.0 -0.067 69.6-107.6 -71.8 169.8 33.8 -11.5 10.6 117 126 A E S S+ 0 0 42 33,-0.1 2,-0.2 432,-0.1 -1,-0.1 0.869 91.3 81.6 -67.1 -38.8 36.8 -9.4 11.7 118 127 A T S S- 0 0 53 1,-0.1 2,-0.4 431,-0.1 -67,-0.1 -0.489 79.8-124.5 -80.1 134.4 36.2 -6.3 9.6 119 128 A I - 0 0 32 -2,-0.2 -1,-0.1 426,-0.2 -2,-0.1 -0.627 32.0-141.5 -72.7 129.7 33.7 -3.6 10.6 120 129 A A - 0 0 7 -2,-0.4 2,-0.3 -71,-0.1 -1,-0.1 -0.158 6.8-120.9 -87.1 177.0 31.2 -3.1 7.8 121 130 A Y > - 0 0 117 -72,-0.1 3,-2.2 -71,-0.1 -74,-0.2 -0.940 32.7 -93.6-123.8 148.6 29.6 0.1 6.5 122 131 A T T 3 S+ 0 0 10 -2,-0.3 -74,-0.2 1,-0.3 3,-0.1 -0.422 113.7 19.4 -62.1 125.5 25.9 1.1 6.3 123 132 A G T 3 S+ 0 0 2 -76,-2.9 -1,-0.3 1,-0.3 -75,-0.1 0.323 88.8 145.6 94.0 -4.2 24.6 0.2 2.8 124 133 A Q < - 0 0 34 -3,-2.2 -77,-2.8 -77,-0.2 2,-0.6 -0.397 40.0-151.4 -61.5 136.7 27.4 -2.2 2.1 125 134 A V E +F 46 0B 18 -79,-0.2 2,-0.3 -123,-0.2 -79,-0.2 -0.967 27.9 170.8-106.7 108.1 26.4 -5.2 -0.0 126 135 A K E -F 45 0B 6 -81,-2.2 -81,-3.0 -2,-0.6 2,-0.5 -0.834 33.3-117.1-115.6 162.7 28.8 -8.0 1.0 127 136 A Q E +F 44 0B 57 -2,-0.3 24,-2.6 -83,-0.2 25,-0.4 -0.874 39.5 176.1-101.2 127.5 28.7 -11.7 0.2 128 137 A V E -FJ 43 150B 0 -85,-2.7 -85,-2.3 -2,-0.5 2,-0.4 -0.889 28.1-134.9-130.4 160.2 28.2 -14.1 3.1 129 138 A K E -FJ 42 149B 30 20,-2.4 20,-2.0 -2,-0.3 2,-0.3 -0.910 30.0-121.2-110.0 139.6 27.8 -17.7 3.9 130 139 A A E + J 0 148B 1 -89,-0.6 18,-0.3 -2,-0.4 3,-0.1 -0.641 31.2 171.7 -80.1 135.4 25.2 -18.8 6.4 131 140 A L E - 0 0 0 16,-3.4 31,-0.8 1,-0.4 72,-0.5 0.640 59.2 -40.0-111.2 -25.8 26.4 -20.7 9.4 132 141 A G E -KJ 202 147B 0 15,-1.4 15,-2.4 70,-0.2 -1,-0.4 -0.972 51.1-119.2 174.1-178.5 23.3 -21.0 11.6 133 142 A I E -KJ 201 146B 0 68,-2.3 68,-2.4 -2,-0.3 2,-0.3 -0.994 7.2-160.4-156.5 143.0 20.2 -19.4 12.9 134 143 A M E - J 0 145B 3 11,-2.2 11,-2.6 -2,-0.3 2,-0.8 -0.952 17.7-138.1-124.8 147.1 18.5 -18.3 16.1 135 144 A A E - J 0 144B 3 64,-0.4 60,-2.4 60,-0.4 2,-0.3 -0.865 21.5-168.3-110.5 99.8 14.8 -17.5 16.6 136 145 A L E -LJ 194 143B 0 7,-1.4 7,-3.1 -2,-0.8 2,-0.6 -0.669 10.5-149.0 -84.4 139.0 14.3 -14.5 18.8 137 146 A L E +LJ 193 142B 67 56,-3.3 56,-1.7 -2,-0.3 2,-0.4 -0.955 22.7 169.4-107.1 115.1 10.9 -13.7 20.1 138 147 A D E > S- J 0 141B 21 3,-2.1 3,-0.7 -2,-0.6 54,-0.1 -0.926 71.4 -20.7-129.7 105.5 10.3 -9.9 20.6 139 148 A E T 3 S- 0 0 91 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.879 125.7 -50.2 64.6 44.7 6.7 -8.8 21.3 140 149 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.455 115.0 117.6 76.6 1.2 5.0 -11.9 20.0 141 150 A E E < - J 0 138B 89 -3,-0.7 -3,-2.1 -35,-0.1 2,-0.5 -0.833 66.3-127.4-106.4 138.3 6.9 -11.7 16.8 142 151 A T E - J 0 137B 45 -2,-0.4 -36,-0.7 -5,-0.2 2,-0.4 -0.734 26.5-174.2 -79.0 133.1 9.3 -14.3 15.5 143 152 A D E - J 0 136B 16 -7,-3.1 -7,-1.4 -2,-0.5 2,-0.1 -0.760 8.4-158.3-137.6 76.7 12.5 -12.5 14.7 144 153 A W E - J 0 135B 37 -2,-0.4 -33,-1.4 -9,-0.2 2,-0.5 -0.344 3.0-162.7 -66.7 140.1 15.0 -14.9 13.0 145 154 A K E -iJ 111 134B 2 -11,-2.6 -11,-2.2 -35,-0.1 2,-0.4 -0.966 7.0-152.1-125.0 109.9 18.7 -14.0 13.1 146 155 A V E -iJ 112 133B 0 -35,-3.1 -33,-3.2 -2,-0.5 2,-0.5 -0.711 10.2-141.1 -80.8 130.9 21.0 -15.7 10.6 147 156 A I E +iJ 113 132B 3 -15,-2.4 -16,-3.4 -2,-0.4 -15,-1.4 -0.829 37.8 160.9 -91.3 125.2 24.6 -16.1 11.8 148 157 A A E -iJ 114 130B 0 -35,-2.7 -33,-2.4 -2,-0.5 2,-0.4 -0.898 30.7-141.6-141.0 165.8 26.8 -15.6 8.8 149 158 A I E - J 0 129B 0 -20,-2.0 -20,-2.4 -2,-0.3 2,-0.1 -0.999 29.9-107.5-138.6 139.7 30.4 -14.7 7.8 150 159 A D E > - J 0 128B 18 -2,-0.4 3,-1.9 -22,-0.2 -22,-0.3 -0.409 27.2-135.1 -55.5 127.4 31.8 -12.6 5.0 151 160 A I T 3 S+ 0 0 67 -24,-2.6 -1,-0.2 1,-0.3 -23,-0.1 0.679 104.8 59.2 -63.2 -17.1 33.3 -14.9 2.4 152 161 A N T 3 S+ 0 0 125 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.435 77.7 115.4 -87.6 -5.2 36.4 -12.6 2.3 153 162 A D S X S- 0 0 12 -3,-1.9 3,-2.0 1,-0.1 -4,-0.0 -0.483 77.0-123.5 -64.5 138.3 37.1 -13.1 6.0 154 163 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.771 112.7 47.3 -52.9 -28.3 40.4 -14.9 6.5 155 164 A L T >> S+ 0 0 46 1,-0.2 3,-1.6 2,-0.1 4,-0.5 0.499 80.6 101.3 -90.8 -5.3 38.6 -17.5 8.5 156 165 A A G X4 S+ 0 0 3 -3,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.867 77.1 55.4 -54.4 -43.8 35.7 -18.1 6.1 157 166 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.754 109.1 49.8 -59.3 -25.4 37.2 -21.4 4.6 158 167 A K G <4 S+ 0 0 116 -3,-1.6 2,-0.6 1,-0.1 -2,-0.2 0.458 100.6 73.5 -87.9 -6.3 37.3 -22.9 8.1 159 168 A L << + 0 0 0 -3,-1.6 -1,-0.1 -4,-0.5 -10,-0.1 -0.926 44.3 134.6-118.1 110.2 33.7 -21.9 9.0 160 169 A N + 0 0 78 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.637 67.1 21.5-123.5 -29.5 31.0 -24.0 7.4 161 170 A D S >> S- 0 0 44 41,-0.1 3,-1.8 42,-0.1 4,-0.6 -0.874 87.2 -90.6-139.9 173.5 28.4 -24.8 10.1 162 171 A I H >> S+ 0 0 12 -31,-0.8 4,-1.0 1,-0.3 3,-1.0 0.799 117.1 63.7 -61.0 -31.9 27.3 -23.5 13.5 163 172 A E H 3> S+ 0 0 96 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.769 94.6 62.4 -63.9 -23.4 29.7 -25.7 15.5 164 173 A D H <> S+ 0 0 30 -3,-1.8 4,-2.4 1,-0.2 5,-0.3 0.782 94.4 60.7 -74.6 -28.1 32.6 -23.9 13.9 165 174 A V H < S- 0 0 14 -4,-2.5 3,-2.2 -5,-0.3 4,-0.4 -0.396 79.8-171.2-131.7 53.4 34.6 -17.5 18.2 170 179 A P T 3 S+ 0 0 60 0, 0.0 383,-0.1 0, 0.0 -4,-0.1 -0.234 73.2 14.5 -60.0 129.6 34.2 -19.1 21.7 171 180 A G T 3> S+ 0 0 39 381,-0.1 4,-2.4 -5,-0.0 5,-0.2 0.126 95.0 104.7 93.0 -18.4 31.6 -17.1 23.8 172 181 A L H <> S+ 0 0 6 -3,-2.2 4,-2.3 -7,-0.2 5,-0.1 0.879 80.2 50.1 -59.1 -41.8 30.2 -15.2 20.8 173 182 A L H > S+ 0 0 25 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.930 111.5 49.2 -65.7 -41.9 27.0 -17.4 20.7 174 183 A R H > S+ 0 0 188 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 112.3 48.3 -59.0 -44.3 26.5 -16.8 24.5 175 184 A A H X S+ 0 0 8 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.886 109.6 52.8 -65.7 -36.8 27.0 -13.1 24.0 176 185 A T H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.919 109.4 48.4 -63.2 -45.7 24.5 -13.1 21.1 177 186 A N H X S+ 0 0 31 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.951 116.1 44.0 -59.8 -50.3 21.9 -14.8 23.3 178 187 A E H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 111.4 53.7 -58.5 -47.6 22.5 -12.3 26.1 179 188 A W H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.929 110.5 44.6 -58.2 -51.1 22.6 -9.3 23.9 180 189 A F H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 12,-0.2 0.782 112.9 52.8 -71.0 -21.4 19.3 -9.9 22.2 181 190 A R H < S+ 0 0 64 -4,-1.5 11,-2.4 -5,-0.2 3,-0.2 0.926 123.3 24.4 -71.3 -45.4 17.6 -10.7 25.5 182 191 A I H >< S+ 0 0 10 -4,-2.3 3,-2.0 9,-0.2 -2,-0.2 0.540 88.0 99.3-100.7 -12.3 18.7 -7.5 27.3 183 192 A Y T 3< S+ 0 0 10 -4,-2.2 -102,-0.5 1,-0.3 -1,-0.2 0.661 89.7 43.1 -63.5 -20.4 19.3 -4.8 24.7 184 193 A K T > >S+ 0 0 36 -3,-0.2 5,-2.1 6,-0.2 3,-0.8 0.430 86.8 91.8-100.4 -0.1 15.9 -3.1 25.1 185 194 A I G X 5S+ 0 0 55 -3,-2.0 3,-1.8 1,-0.2 -2,-0.1 0.904 83.7 55.6 -59.5 -41.7 15.8 -3.2 28.9 186 195 A P G 3 5S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.757 103.6 56.2 -60.6 -23.2 17.5 0.3 29.2 187 196 A D G < 5S- 0 0 71 -3,-0.8 -2,-0.2 -4,-0.1 -3,-0.1 0.475 125.4-104.8 -80.9 -7.7 14.6 1.6 26.9 188 197 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 1,-0.3 -4,-0.0 0.580 80.5 130.1 90.4 12.6 12.1 0.3 29.5 189 198 A K < - 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0 0 83 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.514 60.8-100.6 -88.1 158.6 53.3 -11.2 25.0 470 199 B P - 0 0 94 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.219 46.7 -84.7 -67.2 164.0 52.6 -13.4 28.0 471 200 B E - 0 0 98 -7,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.462 47.2-126.8 -60.4 140.9 49.5 -13.0 30.3 472 201 B N - 0 0 9 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.343 21.2-144.2 -79.9 172.1 50.1 -10.4 33.0 473 202 B Q E -H 417 0M 145 -56,-1.4 -56,-2.8 -2,-0.1 2,-0.4 -0.956 1.4-142.3-136.5 155.7 49.5 -11.2 36.7 474 203 B F E > -H 416 0M 24 -2,-0.3 3,-0.6 -58,-0.2 -58,-0.2 -0.926 17.3-124.3-111.9 145.7 48.2 -9.2 39.7 475 204 B A G > S+ 0 0 18 -60,-2.6 3,-1.6 -2,-0.4 -60,-0.4 -0.380 96.7 35.7 -68.7 163.6 49.3 -9.3 43.3 476 205 B F G > S- 0 0 71 1,-0.3 3,-2.2 -96,-0.2 -1,-0.2 0.759 132.0 -75.6 60.5 29.0 46.6 -10.1 46.0 477 206 B S G < S- 0 0 127 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.810 91.4 -57.4 51.5 34.5 45.0 -12.5 43.5 478 207 B G G < S+ 0 0 11 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.505 89.0 165.3 76.8 7.9 43.7 -9.4 41.7 479 208 B E < - 0 0 102 -3,-2.2 2,-0.9 -4,-0.1 -64,-0.5 -0.244 39.0-128.4 -52.9 137.2 41.9 -8.0 44.7 480 209 B A - 0 0 20 -66,-0.1 -66,-0.2 -68,-0.0 -1,-0.1 -0.858 27.8-145.7 -87.8 107.3 40.8 -4.4 44.3 481 210 B K E -B 413 0H 45 -68,-2.3 -68,-1.9 -2,-0.9 -70,-0.0 -0.262 23.9 -98.0 -68.9 159.6 42.2 -2.7 47.5 482 211 B N E > -B 412 0H 60 -70,-0.2 4,-2.3 -41,-0.1 -70,-0.2 0.017 33.3 -91.2 -81.6-179.8 40.2 0.1 49.0 483 212 B K H > S+ 0 0 50 -72,-0.5 4,-2.8 1,-0.2 5,-0.2 0.902 123.8 54.1 -57.3 -45.3 40.4 3.9 48.9 484 213 B K H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 110.7 46.9 -59.4 -43.5 42.6 4.1 51.9 485 214 B Y H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 111.6 51.8 -61.3 -42.5 45.1 1.7 50.3 486 215 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.884 106.9 51.5 -66.2 -41.2 45.0 3.6 47.1 487 216 B L H X S+ 0 0 38 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.866 108.0 53.6 -64.0 -38.2 45.7 7.0 48.7 488 217 B D H X S+ 0 0 104 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.919 112.5 42.8 -60.9 -45.9 48.7 5.4 50.4 489 218 B I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.874 111.2 54.5 -71.7 -39.2 50.2 4.1 47.1 490 219 B I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 108.2 51.3 -59.9 -42.5 49.4 7.4 45.3 491 220 B K H X S+ 0 0 107 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 107.1 52.5 -56.4 -50.0 51.4 9.2 48.0 492 221 B E H X S+ 0 0 52 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.922 111.2 46.7 -51.8 -49.8 54.3 6.8 47.5 493 222 B T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -122,-1.1 0.843 110.8 52.1 -66.7 -31.9 54.4 7.5 43.8 494 223 B H H X S+ 0 0 31 -4,-2.2 4,-2.1 -124,-0.2 -1,-0.2 0.916 109.0 50.9 -66.2 -43.2 54.1 11.3 44.3 495 224 B D H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.890 108.3 51.6 -62.1 -39.7 57.0 11.1 46.7 496 225 B S H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 110.1 49.6 -60.8 -45.0 59.1 9.2 44.1 497 226 B W H X S+ 0 0 11 -4,-1.8 4,-3.1 -128,-0.2 5,-0.3 0.866 104.6 57.5 -62.0 -39.2 58.3 11.9 41.6 498 227 B K H X S+ 0 0 115 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.904 110.3 45.0 -60.9 -37.6 59.3 14.7 44.1 499 228 B Q H <>S+ 0 0 91 -4,-1.7 5,-2.2 1,-0.2 6,-0.4 0.938 113.9 50.4 -67.6 -46.6 62.8 13.0 44.3 500 229 B L H ><5S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 5,-0.3 0.924 110.7 46.3 -56.8 -51.9 62.9 12.7 40.5 501 230 B I H 3<5S+ 0 0 8 -4,-3.1 22,-0.4 1,-0.3 -1,-0.2 0.752 105.7 60.8 -70.0 -22.5 62.0 16.3 39.7 502 231 B A T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.459 117.1-111.8 -78.0 -3.6 64.5 17.6 42.3 503 232 B G T < 5S+ 0 0 54 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.622 89.1 114.1 79.3 17.4 67.3 15.9 40.3 504 233 B K < + 0 0 158 -5,-2.2 2,-0.2 -6,-0.2 -4,-0.2 0.230 33.6 118.0-109.5 10.8 67.8 13.5 43.2 505 234 B S - 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