==== 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 2IK7 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 559 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 22.5 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 . 4 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 10 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 . 6 0 0 1 1 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 0 116 0, 0.0 21,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.6 2.8 -3.0 -9.0 2 2 A Y E +A 21 0A 56 19,-0.2 2,-0.2 132,-0.1 19,-0.2 -0.753 360.0 155.0 -96.9 129.3 1.3 -1.8 -5.7 3 3 A T E -A 20 0A 60 17,-2.2 17,-2.1 -2,-0.5 2,-0.4 -0.682 34.0-111.9-130.6-171.7 2.0 1.5 -4.1 4 4 A T E -A 19 0A 56 15,-0.2 2,-0.5 -2,-0.2 15,-0.2 -0.953 9.8-154.8-129.8 148.2 0.2 3.9 -1.7 5 5 A R E -A 18 0A 37 13,-2.3 13,-2.5 -2,-0.4 2,-0.5 -0.973 17.1-156.5-122.9 116.1 -1.4 7.3 -2.0 6 6 A Q E -A 17 0A 49 -2,-0.5 257,-3.5 11,-0.2 2,-0.5 -0.816 6.4-166.1 -98.0 123.2 -1.7 9.2 1.2 7 7 A I E -A 16 0A 31 9,-2.8 9,-1.9 -2,-0.5 255,-0.1 -0.940 58.8 -15.0 -99.6 128.5 -4.2 12.0 1.7 8 8 A G S S- 0 0 7 -2,-0.5 2,-0.4 7,-0.2 255,-0.1 -0.210 96.3 -44.1 82.7-173.8 -3.6 14.2 4.8 9 9 A A > - 0 0 12 1,-0.1 3,-0.7 258,-0.1 6,-0.4 -0.810 60.8-107.7 -95.5 136.6 -1.4 13.9 7.9 10 10 A K T 3 S+ 0 0 42 255,-0.5 258,-2.9 -2,-0.4 3,-0.1 -0.298 103.0 34.8 -57.4 148.6 -1.2 10.7 9.8 11 11 A N T 3 S+ 0 0 17 1,-0.3 2,-0.3 256,-0.2 -1,-0.2 0.773 100.0 101.2 71.6 28.8 -3.0 10.7 13.2 12 12 A T S X S- 0 0 26 -3,-0.7 3,-0.9 1,-0.0 58,-0.3 -0.911 84.2-111.4-132.7 168.6 -5.8 13.0 12.0 13 13 A L T 3 S+ 0 0 101 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.754 114.4 57.4 -69.3 -22.4 -9.4 12.6 10.9 14 14 A E T 3 S+ 0 0 123 -5,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.543 78.5 117.7 -87.0 -11.4 -8.5 13.5 7.2 15 15 A Y < + 0 0 3 -3,-0.9 55,-0.5 -6,-0.4 2,-0.3 -0.375 33.2 160.6 -62.9 132.0 -5.9 10.8 6.8 16 16 A K E -AB 7 69A 50 -9,-1.9 -9,-2.8 53,-0.1 2,-0.4 -0.983 23.0-160.2-147.7 142.4 -6.6 8.2 4.1 17 17 A V E -AB 6 68A 3 51,-1.9 51,-3.0 -2,-0.3 2,-0.4 -0.992 10.2-167.4-123.0 124.7 -4.3 5.7 2.3 18 18 A Y E -A 5 0A 16 -13,-2.5 -13,-2.3 -2,-0.4 2,-0.5 -0.843 21.2-125.9-101.9 143.3 -5.5 4.3 -1.0 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.8 -2,-0.4 2,-0.4 -0.812 26.0-156.0 -83.0 135.0 -3.8 1.4 -2.6 20 20 A E E -AC 3 25A 25 -17,-2.1 -17,-2.2 -2,-0.5 2,-0.5 -0.928 11.5-157.6-109.6 133.3 -2.7 2.0 -6.2 21 21 A K E > S-AC 2 24A 81 3,-2.3 3,-1.7 -2,-0.4 -19,-0.2 -0.961 88.9 -15.8-102.3 123.2 -2.1 -0.6 -8.9 22 22 A D T 3 S- 0 0 109 -21,-2.3 -1,-0.2 -2,-0.5 -20,-0.1 0.895 132.7 -50.3 41.5 49.5 0.2 1.0 -11.5 23 23 A G T 3 S+ 0 0 40 -22,-0.4 -1,-0.3 -3,-0.2 -21,-0.1 0.433 117.2 110.2 82.6 3.4 -0.5 4.4 -10.1 24 24 A K E < S-C 21 0A 58 -3,-1.7 -3,-2.3 0, 0.0 -1,-0.2 -0.947 71.9-115.6-120.3 118.0 -4.3 4.0 -10.2 25 25 A P E +C 20 0A 2 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.213 37.5 179.2 -50.9 129.4 -6.4 3.7 -7.0 26 26 A V E -C 19 0A 6 -7,-2.8 -7,-0.6 39,-0.1 2,-0.5 -0.815 40.1 -83.2-123.0 167.9 -8.2 0.4 -6.5 27 27 A S > - 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.4 -0.636 28.7-155.3 -73.5 122.9 -10.4 -0.9 -3.8 28 28 A A T 4 S+ 0 0 0 37,-1.8 -1,-0.2 -2,-0.5 38,-0.1 0.685 94.5 43.6 -69.3 -19.6 -8.3 -2.3 -0.9 29 29 A F T 4 S+ 0 0 0 68,-0.1 69,-3.1 36,-0.1 70,-0.2 0.890 130.5 16.2 -84.7 -52.0 -11.2 -4.6 0.1 30 30 A H T 4 S+ 0 0 0 213,-0.2 -2,-0.2 67,-0.2 214,-0.1 0.724 119.3 54.9-106.0 -26.0 -12.5 -5.9 -3.3 31 31 A D S < S+ 0 0 6 -4,-1.8 -3,-0.2 34,-0.1 -1,-0.1 0.466 83.2 82.3 -99.1 -7.1 -9.7 -5.3 -5.9 32 32 A I S S- 0 0 0 -5,-0.4 12,-0.1 -4,-0.1 14,-0.1 -0.892 86.1-120.2 -96.4 120.7 -6.6 -6.9 -4.5 33 33 A P - 0 0 56 0, 0.0 11,-0.3 0, 0.0 -2,-0.1 -0.338 9.4-135.5 -62.3 135.7 -6.7 -10.7 -5.3 34 34 A L S S+ 0 0 0 9,-0.1 10,-2.6 62,-0.1 2,-0.5 0.889 90.3 58.1 -54.2 -42.3 -6.7 -12.8 -2.2 35 35 A Y E +E 43 0B 33 8,-0.3 8,-0.3 1,-0.2 3,-0.2 -0.793 47.4 175.8 -98.4 128.5 -4.1 -15.2 -3.9 36 36 A A E S+ 0 0 53 6,-2.7 2,-0.2 -2,-0.5 7,-0.2 0.670 98.3 8.1 -88.7 -30.7 -0.8 -14.0 -5.2 37 37 A D E > >S-E 42 0B 62 5,-2.1 5,-2.2 1,-0.1 3,-0.7 -0.699 72.4-176.5-147.3 94.4 -0.1 -17.7 -6.0 38 38 A K G > 5S+ 0 0 122 1,-0.2 3,-1.3 3,-0.2 -1,-0.1 0.869 80.7 59.2 -64.1 -38.1 -3.1 -19.9 -5.5 39 39 A E G 3 5S+ 0 0 166 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.816 116.2 34.4 -62.0 -32.9 -1.4 -23.2 -6.2 40 40 A N G < 5S- 0 0 102 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.231 111.4-117.1-106.2 11.0 1.0 -22.6 -3.4 41 41 A N T < 5 + 0 0 45 -3,-1.3 98,-0.6 -4,-0.3 2,-0.6 0.887 56.5 158.4 51.0 46.5 -1.4 -20.8 -1.1 42 42 A I E < -EF 37 138B 30 -5,-2.2 -6,-2.7 96,-0.1 -5,-2.1 -0.906 25.1-157.6 -97.9 120.4 0.6 -17.6 -1.0 43 43 A F E -EF 35 137B 0 94,-2.5 94,-2.3 -2,-0.6 2,-0.6 -0.673 18.5-122.2-101.5 152.2 -1.8 -14.8 -0.1 44 44 A N E - F 0 136B 9 -10,-2.6 2,-0.5 -11,-0.3 92,-0.2 -0.848 30.7-159.6 -85.1 122.0 -1.8 -11.1 -0.6 45 45 A M E - F 0 135B 0 90,-3.3 90,-2.3 -2,-0.6 2,-0.7 -0.900 10.0-147.3-102.6 128.6 -2.0 -9.3 2.8 46 46 A V E -GF 95 134B 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.4 -0.889 21.2-141.7 -88.1 114.8 -3.1 -5.7 3.1 47 47 A V E +G 94 0B 0 86,-2.6 85,-3.0 -2,-0.7 47,-0.3 -0.692 30.1 167.0 -80.3 125.6 -1.2 -4.2 6.1 48 48 A E E + 0 0 9 45,-2.7 46,-0.2 -2,-0.4 -1,-0.2 0.781 65.7 24.9-101.0 -45.1 -3.2 -1.8 8.2 49 49 A I E S-G 93 0B 0 44,-2.7 44,-3.0 81,-0.1 -1,-0.3 -0.978 72.9-135.0-132.6 119.2 -1.1 -1.3 11.4 50 50 A P > - 0 0 18 0, 0.0 3,-1.4 0, 0.0 39,-0.3 -0.418 42.0 -86.1 -68.0 147.2 2.7 -1.7 11.7 51 51 A R T 3 S+ 0 0 6 1,-0.2 39,-0.2 76,-0.1 41,-0.1 -0.267 111.9 20.6 -50.4 134.4 4.1 -3.6 14.7 52 52 A W T 3 S+ 0 0 13 37,-3.2 -1,-0.2 35,-0.3 2,-0.2 0.581 98.3 113.9 76.8 23.0 4.6 -1.4 17.8 53 53 A T < - 0 0 49 -3,-1.4 36,-2.0 36,-0.2 -1,-0.3 -0.678 50.2-157.6-112.9 171.5 2.2 1.4 16.8 54 54 A N + 0 0 21 -2,-0.2 26,-2.6 34,-0.2 -1,-0.1 0.678 54.2 109.1-118.8 -36.2 -1.1 2.5 18.4 55 55 A A B -N 79 0C 7 24,-0.3 2,-1.8 1,-0.1 24,-0.2 -0.386 68.9-131.9 -56.0 121.9 -3.2 4.4 15.8 56 56 A K + 0 0 18 22,-2.2 15,-3.1 15,-0.2 2,-0.2 -0.579 38.1 174.8 -83.5 78.4 -6.1 2.0 14.9 57 57 A L E +D 70 0A 4 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.608 4.7 161.3 -84.8 145.9 -5.8 2.3 11.1 58 58 A E E -D 69 0A 30 11,-2.6 11,-2.5 -2,-0.2 2,-0.3 -0.995 48.1 -90.4-163.7 153.5 -8.1 0.1 9.0 59 59 A I E -D 68 0A 6 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.530 51.7-134.1 -60.9 125.0 -9.7 -0.6 5.6 60 60 A T - 0 0 6 7,-2.3 3,-0.4 -2,-0.3 -31,-0.1 -0.742 13.6-157.8 -94.2 135.4 -12.9 1.3 5.9 61 61 A K S S+ 0 0 28 -2,-0.4 180,-3.6 1,-0.2 -1,-0.1 0.840 85.1 52.2 -75.4 -33.2 -16.1 -0.4 4.7 62 62 A E S S+ 0 0 110 178,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.330 92.5 78.8-103.0 13.0 -18.3 2.6 4.0 63 63 A E S > S- 0 0 55 -3,-0.4 3,-1.9 4,-0.1 2,-0.2 -0.882 90.4 -90.5-116.8 152.3 -16.1 4.8 1.8 64 64 A T T 3 S+ 0 0 62 -2,-0.3 -2,-0.1 1,-0.3 180,-0.1 -0.386 111.3 7.2 -69.5 129.1 -15.5 4.4 -2.0 65 65 A L T 3 S- 0 0 0 178,-0.3 -37,-1.8 -2,-0.2 -46,-0.3 0.412 109.5-105.0 66.1 10.6 -12.5 2.2 -2.8 66 66 A N < - 0 0 0 -3,-1.9 -1,-0.2 -39,-0.2 -2,-0.1 0.871 48.1-165.3 53.6 53.3 -12.2 1.3 0.9 67 67 A P - 0 0 0 0, 0.0 -7,-2.3 0, 0.0 2,-0.5 -0.238 28.1-100.7 -65.8 159.0 -9.1 3.4 1.8 68 68 A I E +BD 17 59A 0 -51,-3.0 -51,-1.9 -9,-0.2 2,-0.3 -0.727 54.9 163.1 -82.3 124.9 -7.3 2.8 5.0 69 69 A I E -BD 16 58A 26 -11,-2.5 -11,-2.6 -2,-0.5 2,-0.4 -0.853 42.9 -87.1-131.2 172.9 -8.4 5.5 7.6 70 70 A Q E - D 0 57A 8 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.697 43.8-117.8 -86.5 133.0 -8.2 5.8 11.4 71 71 A D - 0 0 39 -15,-3.1 7,-3.0 -2,-0.4 2,-0.3 -0.330 34.4-167.6 -60.4 148.5 -11.0 4.3 13.4 72 72 A T E -O 77 0D 60 5,-0.3 2,-0.4 -59,-0.0 5,-0.2 -0.947 18.3-152.3-135.0 153.7 -13.0 6.7 15.5 73 73 A K E > S-O 76 0D 131 3,-2.1 3,-1.5 -2,-0.3 -2,-0.0 -0.951 84.2 -22.3-129.2 116.6 -15.6 6.5 18.2 74 74 A K T 3 S- 0 0 189 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 130.6 -45.9 55.5 42.6 -18.1 9.3 18.4 75 75 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.344 113.4 113.7 90.2 -2.8 -15.8 11.6 16.5 76 76 A K E < S-O 73 0D 154 -3,-1.5 -3,-2.1 1,-0.0 -1,-0.2 -0.851 71.2-111.3-108.6 133.6 -12.6 10.9 18.4 77 77 A L E -O 72 0D 47 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.340 32.8-129.7 -62.4 137.9 -9.6 9.1 16.9 78 78 A R + 0 0 42 -7,-3.0 -22,-2.2 -22,-0.2 2,-0.4 -0.773 27.2 177.6 -94.8 128.1 -9.0 5.6 18.3 79 79 A F B -N 55 0C 29 -2,-0.5 -24,-0.3 -24,-0.2 2,-0.2 -0.998 29.9-127.5-123.6 124.8 -5.5 4.6 19.5 80 80 A V - 0 0 0 -26,-2.6 2,-0.1 -2,-0.4 113,-0.1 -0.533 34.2-122.6 -66.9 135.7 -5.1 1.2 21.0 81 81 A R - 0 0 47 111,-0.5 2,-0.5 -2,-0.2 196,-0.1 -0.397 20.7-101.6 -84.2 158.7 -3.4 1.5 24.4 82 82 A N E -p 277 0E 1 194,-0.9 196,-2.8 192,-0.4 2,-0.6 -0.688 34.9-165.0 -82.5 121.6 -0.2 0.0 25.6 83 83 A C E > -p 278 0E 4 -2,-0.5 3,-2.6 5,-0.3 196,-0.2 -0.937 38.2 -81.6-114.7 109.8 -0.8 -3.0 27.8 84 84 A F T 3 S+ 0 0 31 194,-2.8 3,-0.1 -2,-0.6 377,-0.0 -0.184 115.6 17.5 -52.4 135.8 2.2 -4.2 29.8 85 85 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.942 117.4 79.8 -91.3 15.7 4.4 -5.9 28.7 86 86 A H < - 0 0 3 -3,-2.6 2,-0.6 280,-0.1 3,-0.1 -0.515 61.7-147.4 -88.2 148.9 3.3 -5.0 25.2 87 87 A H - 0 0 23 -2,-0.2 -35,-0.3 -5,-0.2 -5,-0.1 -0.951 63.1 -59.7-114.4 105.8 3.9 -1.9 23.1 88 88 A G S S- 0 0 0 -2,-0.6 -5,-0.3 -36,-0.1 2,-0.2 -0.262 115.0 -2.0 55.4-143.6 1.0 -1.2 20.9 89 89 A Y - 0 0 0 -36,-2.0 -37,-3.2 -39,-0.3 -36,-0.2 -0.564 61.8-153.4 -73.2 136.1 0.2 -4.0 18.4 90 90 A I S S+ 0 0 4 -2,-0.2 2,-0.3 -39,-0.2 -39,-0.1 0.269 75.6 46.8 -99.0 9.3 2.7 -6.9 18.7 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.5 -42,-0.1 -39,-0.2 -0.951 95.8 -98.0-132.4 159.3 2.3 -8.0 15.1 92 92 A N E - H 0 123B 0 31,-2.0 31,-3.0 -2,-0.3 2,-0.4 -0.749 59.9-151.8 -68.4 127.1 2.2 -6.4 11.7 93 93 A Y E +GH 49 122B 6 -44,-3.0 -45,-2.7 -2,-0.5 -44,-2.7 -0.866 35.1 98.5-121.4 137.0 -1.6 -6.3 11.6 94 94 A G E -GH 47 121B 0 27,-1.9 27,-2.0 -2,-0.4 2,-0.3 -0.835 49.7 -87.1-175.7-145.2 -4.1 -6.3 8.7 95 95 A A E -GH 46 120B 0 -49,-2.3 -49,-2.7 25,-0.3 25,-0.2 -0.955 26.0-108.9-152.0 161.1 -6.4 -8.3 6.6 96 96 A F - 0 0 0 23,-1.9 3,-0.5 -2,-0.3 23,-0.3 -0.885 41.1-126.7 -94.2 132.1 -6.8 -10.5 3.5 97 97 A P S S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.286 89.2 36.5 -72.2 162.0 -8.6 -8.7 0.8 98 98 A Q S S+ 0 0 22 -69,-3.1 2,-0.3 1,-0.2 128,-0.2 0.822 96.3 108.1 60.5 38.5 -11.7 -10.4 -0.8 99 99 A T - 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 124,-0.2 -0.956 44.5-169.2-138.3 160.8 -12.8 -11.9 2.5 100 100 A W - 0 0 0 122,-1.3 2,-1.7 -2,-0.3 125,-0.1 -0.952 26.9-140.4-153.0 123.1 -15.7 -11.3 5.0 101 101 A E - 0 0 1 16,-2.8 15,-2.0 -2,-0.3 16,-0.2 -0.673 45.6-130.7 -76.5 85.2 -16.6 -12.6 8.5 102 102 A D > - 0 0 8 -2,-1.7 12,-2.3 1,-0.2 3,-0.6 -0.108 20.6-162.7 -44.9 120.5 -20.3 -12.9 7.5 103 103 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.550 80.1 65.6 -86.8 -6.9 -22.4 -11.1 10.2 104 104 A N T 3 S+ 0 0 50 132,-0.1 2,-0.4 9,-0.1 -2,-0.1 0.462 97.5 53.0 -96.4 -6.4 -25.7 -12.8 9.1 105 105 A V S < S- 0 0 79 -3,-0.6 9,-0.6 7,-0.1 2,-0.3 -0.991 80.2-115.9-135.3 146.8 -24.9 -16.4 10.0 106 106 A S E -Q 113 0F 77 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.553 28.0-131.6 -77.6 132.7 -23.6 -18.2 13.1 107 107 A H E >>> -Q 112 0F 11 5,-2.1 4,-2.0 -2,-0.3 3,-1.1 -0.756 9.8-144.3 -89.2 125.0 -20.2 -19.8 12.7 108 108 A P T 345S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.727 95.5 58.5 -64.6 -24.1 -20.4 -23.4 14.0 109 109 A E T 345S+ 0 0 49 1,-0.2 96,-0.2 3,-0.1 35,-0.1 0.750 125.3 17.2 -75.0 -26.8 -16.8 -23.4 15.4 110 110 A T T <45S- 0 0 18 -3,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.419 93.4-125.9-126.7 -3.8 -17.5 -20.4 17.7 111 111 A K T <5S+ 0 0 84 -4,-2.0 2,-0.3 1,-0.2 -5,-0.1 0.869 75.8 103.0 53.7 40.4 -21.4 -20.2 18.0 112 112 A A E - 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D 0 425I 1 -7,-2.5 -7,-0.6 -2,-0.3 -1,-0.1 -0.497 18.2-164.7-146.3 62.2 26.4 -1.1 37.4 433 153 B W E - D 0 424I 0 -9,-0.2 -33,-1.1 1,-0.1 2,-0.5 -0.193 6.8-149.3 -50.0 143.3 23.6 -0.1 39.9 434 154 B K E -cD 400 423I 1 -11,-2.6 -11,-1.9 -35,-0.1 2,-0.3 -0.950 6.8-149.2-121.2 109.3 20.2 0.9 38.4 435 155 B V E -cD 401 422I 0 -35,-2.6 -33,-3.4 -2,-0.5 2,-0.6 -0.598 9.8-140.1 -70.9 129.6 18.2 3.4 40.4 436 156 B I E +cD 402 421I 4 -15,-2.4 -16,-3.6 -2,-0.3 -15,-1.4 -0.895 39.0 160.9 -88.5 122.6 14.4 3.0 40.1 437 157 B A E -cD 403 419I 0 -35,-2.5 -33,-2.4 -2,-0.6 2,-0.4 -0.893 29.9-146.4-142.3 162.2 12.9 6.5 39.9 438 158 B I E - D 0 418I 0 -20,-1.9 -20,-2.2 -2,-0.3 -35,-0.1 -0.997 30.4-106.9-139.7 140.4 9.8 8.5 38.9 439 159 B D E > - D 0 417I 21 -2,-0.4 3,-1.9 -22,-0.2 -22,-0.3 -0.342 27.4-134.6 -55.1 127.6 9.3 11.9 37.4 440 160 B I T 3 S+ 0 0 64 -24,-2.5 -1,-0.2 1,-0.3 -23,-0.1 0.693 105.0 58.9 -63.2 -20.0 7.9 14.1 40.2 441 161 B N T 3 S+ 0 0 126 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.480 77.5 115.2 -85.1 -5.0 5.3 15.4 37.6 442 162 B D S X S- 0 0 13 -3,-1.9 3,-1.6 1,-0.1 -4,-0.0 -0.400 77.0-123.3 -60.6 140.0 3.9 11.9 36.9 443 163 B P T 3 S+ 0 0 98 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.835 112.9 47.2 -52.6 -30.8 0.2 11.6 38.0 444 164 B L T >> S+ 0 0 54 1,-0.2 3,-1.7 2,-0.1 4,-0.8 0.574 80.5 101.2 -88.4 -9.6 1.3 8.7 40.3 445 165 B A G X4 S+ 0 0 4 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.850 78.5 54.3 -47.4 -48.6 4.3 10.3 41.9 446 166 B P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.764 110.5 48.3 -56.8 -27.1 2.5 11.2 45.2 447 167 B K G <4 S+ 0 0 57 -3,-1.7 2,-0.7 -4,-0.1 -2,-0.2 0.547 99.1 76.9 -86.5 -9.6 1.5 7.5 45.5 448 168 B L << + 0 0 0 -3,-1.5 -1,-0.1 -4,-0.8 -10,-0.1 -0.875 45.4 136.5-109.3 104.8 5.1 6.2 44.9 449 169 B N + 0 0 81 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.669 66.5 12.8-122.4 -25.3 7.4 6.6 47.8 450 170 B D S >> S- 0 0 44 41,-0.1 3,-1.2 42,-0.1 4,-0.7 -0.890 86.5 -87.1-149.1 176.7 9.3 3.3 48.2 451 171 B I H >> S+ 0 0 11 -31,-0.8 4,-1.1 1,-0.3 3,-0.6 0.767 118.4 61.7 -64.9 -30.6 10.1 0.2 46.2 452 172 B E H 3> S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.844 97.0 60.8 -62.2 -36.2 7.1 -1.8 47.3 453 173 B D H <> S+ 0 0 43 -3,-1.2 4,-2.3 1,-0.2 5,-0.3 0.797 96.3 61.1 -61.3 -29.7 4.8 0.9 45.7 454 174 B V H < S- 0 0 14 -4,-2.5 3,-2.1 -5,-0.3 4,-0.4 -0.390 80.7-171.4-130.7 53.2 3.4 -1.3 38.1 459 179 B P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.233 73.1 13.9 -57.8 132.4 3.0 -5.1 38.7 460 180 B G T 3> S+ 0 0 22 -181,-0.1 4,-2.5 -5,-0.0 5,-0.2 0.138 97.7 105.3 93.1 -19.2 5.5 -7.2 36.7 461 181 B L H <> S+ 0 0 5 -3,-2.1 4,-2.2 2,-0.2 5,-0.2 0.930 79.4 46.0 -63.5 -47.3 7.7 -4.2 35.9 462 182 B L H > S+ 0 0 22 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 113.9 49.7 -63.7 -43.0 10.6 -5.0 38.4 463 183 B R H > S+ 0 0 196 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.5 47.3 -57.7 -45.4 10.6 -8.7 37.2 464 184 B A H X S+ 0 0 10 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.847 109.2 54.7 -62.7 -39.1 10.7 -7.5 33.6 465 185 B T H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.903 106.2 51.4 -63.4 -46.2 13.5 -5.1 34.4 466 186 B N H X S+ 0 0 31 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.947 113.6 45.2 -53.2 -49.1 15.6 -7.9 36.0 467 187 B E H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.929 109.5 55.5 -60.9 -46.7 15.1 -9.9 32.8 468 188 B W H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.908 109.7 43.8 -56.0 -49.1 15.8 -7.0 30.4 469 189 B F H < S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 12,-0.2 0.752 112.7 53.8 -75.0 -22.1 19.2 -6.2 31.9 470 190 B R H < S+ 0 0 70 -4,-1.3 11,-2.3 -3,-0.3 3,-0.2 0.919 123.0 24.8 -68.4 -43.9 20.2 -9.9 32.1 471 191 B I H >< S+ 0 0 11 -4,-2.2 3,-2.0 9,-0.2 -2,-0.2 0.551 87.6 99.0-103.9 -12.4 19.4 -10.6 28.4 472 192 B Y T 3< S+ 0 0 6 -4,-2.0 -111,-0.5 1,-0.3 -1,-0.2 0.680 90.5 42.3 -63.5 -26.1 19.7 -7.3 26.3 473 193 B K T > >S+ 0 0 15 -3,-0.2 5,-1.9 -4,-0.2 3,-1.4 0.378 85.3 94.4 -97.3 0.6 23.3 -8.0 25.0 474 194 B I G X 5S+ 0 0 52 -3,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.931 84.3 54.7 -58.4 -43.6 22.7 -11.7 24.2 475 195 B P G 3 5S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.639 102.1 59.5 -60.2 -15.6 21.9 -10.6 20.6 476 196 B D G < 5S- 0 0 72 -3,-1.4 -2,-0.2 2,-0.1 -3,-0.1 0.377 124.0-106.0 -86.5 -0.8 25.3 -8.8 20.6 477 197 B G T < 5S+ 0 0 72 -3,-2.2 -3,-0.2 1,-0.3 -4,-0.0 0.721 80.3 130.4 77.4 22.7 27.0 -12.2 21.3 478 198 B K < - 0 0 83 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.701 61.7-100.7 -98.5 157.9 27.7 -11.3 24.9 479 199 B P - 0 0 100 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.259 47.6 -82.6 -67.5 164.1 26.9 -13.5 27.9 480 200 B E - 0 0 100 1,-0.1 -9,-0.2 -8,-0.1 -10,-0.1 -0.453 48.5-127.1 -59.8 135.4 23.9 -13.1 30.1 481 201 B N - 0 0 8 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.270 21.2-142.9 -78.0 172.6 24.5 -10.5 32.9 482 202 B Q E -F 426 0I 141 -56,-1.3 -56,-3.1 -13,-0.1 2,-0.3 -0.932 1.3-141.8-137.2 154.4 23.9 -11.2 36.6 483 203 B F E -F 425 0I 25 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.906 17.7-126.1-113.8 146.4 22.6 -9.2 39.6 484 204 B A S > S+ 0 0 19 -60,-2.4 3,-1.7 -2,-0.3 -60,-0.4 -0.412 95.9 36.7 -70.9 165.7 23.8 -9.3 43.2 485 205 B F G > S- 0 0 73 1,-0.3 3,-2.0 -96,-0.2 -1,-0.2 0.752 131.8 -76.5 59.3 26.1 21.2 -10.1 45.9 486 206 B S G 3 S- 0 0 133 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.817 90.8 -56.1 52.9 36.0 19.5 -12.5 43.4 487 207 B G G < S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.439 89.6 163.6 77.6 3.1 18.1 -9.5 41.6 488 208 B E < - 0 0 100 -3,-2.0 2,-0.9 -4,-0.1 -64,-0.5 -0.206 39.2-130.6 -52.2 134.3 16.3 -8.0 44.7 489 209 B A - 0 0 19 -66,-0.1 -66,-0.2 -68,-0.0 -1,-0.1 -0.853 26.0-144.9 -85.3 106.4 15.3 -4.4 44.3 490 210 B K E -E 422 0I 48 -68,-2.1 -68,-2.0 -2,-0.9 -70,-0.1 -0.273 24.2-100.0 -68.1 157.1 16.6 -2.7 47.5 491 211 B N E > -E 421 0I 62 -70,-0.2 4,-2.3 -41,-0.1 -70,-0.2 -0.007 34.1 -90.1 -80.1-179.6 14.6 0.1 49.0 492 212 B K H > S+ 0 0 49 -72,-0.5 4,-2.9 1,-0.2 5,-0.2 0.883 123.4 54.4 -58.6 -43.2 14.8 3.9 48.8 493 213 B K H > S+ 0 0 172 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 111.5 45.0 -59.7 -43.7 17.0 4.1 51.9 494 214 B Y H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 112.6 52.8 -63.8 -42.2 19.5 1.7 50.4 495 215 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 105.5 52.8 -62.3 -46.3 19.3 3.6 47.1 496 216 B L H X S+ 0 0 38 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.869 107.3 53.4 -61.4 -33.3 20.1 6.9 48.6 497 217 B D H X S+ 0 0 106 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.886 110.9 45.0 -69.6 -38.1 23.2 5.5 50.3 498 218 B I H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.845 110.5 53.9 -74.5 -38.1 24.6 4.1 47.0 499 219 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.922 108.8 50.7 -61.4 -44.0 23.8 7.4 45.2 500 220 B K H X S+ 0 0 111 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 107.8 52.2 -57.8 -46.8 25.8 9.2 47.8 501 221 B E H X S+ 0 0 50 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.922 111.1 46.9 -55.1 -47.9 28.7 6.9 47.4 502 222 B T H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -122,-1.1 0.818 110.4 53.4 -67.8 -31.5 28.7 7.5 43.6 503 223 B H H X S+ 0 0 29 -4,-2.1 4,-1.9 -124,-0.2 -1,-0.2 0.896 108.2 50.5 -65.6 -40.2 28.5 11.3 44.2 504 224 B D H X S+ 0 0 56 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.897 107.4 52.7 -64.6 -41.0 31.5 11.1 46.5 505 225 B S H X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.920 110.7 49.1 -60.8 -41.1 33.5 9.2 43.9 506 226 B W H X S+ 0 0 11 -4,-1.7 4,-3.2 -128,-0.2 5,-0.3 0.856 105.1 56.6 -66.8 -36.3 32.6 12.0 41.5 507 227 B K H X S+ 0 0 107 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.931 111.2 44.5 -62.1 -42.2 33.7 14.7 43.9 508 228 B Q H <>S+ 0 0 91 -4,-2.0 5,-2.3 2,-0.2 6,-0.5 0.928 114.0 50.2 -61.8 -49.3 37.1 13.1 44.1 509 229 B L H ><5S+ 0 0 1 -4,-2.4 3,-1.8 4,-0.2 5,-0.3 0.946 111.8 46.3 -54.9 -53.7 37.2 12.6 40.3 510 230 B I H 3<5S+ 0 0 8 -4,-3.2 22,-0.4 1,-0.3 -1,-0.2 0.740 105.9 58.9 -69.0 -25.7 36.3 16.3 39.5 511 231 B A T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.504 118.5-111.2 -77.2 -5.4 38.8 17.7 42.0 512 232 B G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.616 88.1 116.1 84.0 16.3 41.5 15.9 40.1 513 233 B K < + 0 0 81 -5,-2.3 -4,-0.2 -6,-0.2 2,-0.1 0.382 33.1 117.6-105.2 3.0 42.1 13.5 43.0 514 234 B S - 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