==== 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 27-SEP-06 2IHP . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 558 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 22.4 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 . 52 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 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 . 3 9 7 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 . 5 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 0 117 0, 0.0 21,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 129.1 29.8 -2.4 -8.8 2 2 A Y E +A 21 0A 58 19,-0.2 2,-0.2 126,-0.1 19,-0.2 -0.828 360.0 157.9 -97.4 131.4 27.8 -1.5 -5.6 3 3 A T E -A 20 0A 57 17,-2.1 17,-2.5 -2,-0.5 2,-0.3 -0.695 32.3-112.2-129.8-173.9 28.4 1.8 -3.9 4 4 A T E -A 19 0A 53 15,-0.2 2,-0.5 -2,-0.2 15,-0.2 -0.949 10.8-156.0-127.1 151.0 26.4 3.9 -1.5 5 5 A R E -A 18 0A 38 13,-2.7 13,-2.7 -2,-0.3 2,-0.5 -0.976 14.2-155.1-124.4 117.7 24.8 7.3 -1.7 6 6 A Q E -A 17 0A 54 -2,-0.5 253,-3.7 11,-0.2 2,-0.4 -0.791 5.5-166.6 -94.8 128.3 24.2 9.2 1.6 7 7 A I E -A 16 0A 29 9,-3.3 9,-2.1 -2,-0.5 251,-0.1 -0.893 59.8 -0.5-104.2 145.1 21.4 11.8 1.9 8 8 A G S S- 0 0 11 -2,-0.4 2,-0.3 7,-0.2 253,-0.3 0.016 100.7 -54.8 70.7 176.9 21.5 14.2 4.9 9 9 A A > - 0 0 12 1,-0.1 3,-0.8 251,-0.1 6,-0.4 -0.730 62.0-102.0 -88.9 142.8 24.0 14.2 7.8 10 10 A K T 3 S+ 0 0 62 251,-0.4 254,-2.6 -2,-0.3 3,-0.1 -0.296 106.0 30.1 -60.0 148.2 24.6 11.0 9.7 11 11 A N T 3 S+ 0 0 22 1,-0.3 2,-0.3 252,-0.2 -1,-0.2 0.772 102.3 102.5 69.4 29.8 22.9 10.8 13.1 12 12 A T S X S- 0 0 27 -3,-0.8 3,-1.0 252,-0.0 58,-0.3 -0.895 84.8-109.8-130.6 168.8 20.0 13.0 12.0 13 13 A L T 3 S+ 0 0 100 -2,-0.3 57,-0.1 1,-0.2 -3,-0.1 0.711 116.0 58.3 -66.7 -22.4 16.4 12.4 10.9 14 14 A E T 3 S+ 0 0 123 -5,-0.2 -1,-0.2 55,-0.1 2,-0.1 0.581 78.1 118.4 -84.6 -13.1 17.3 13.4 7.3 15 15 A Y < + 0 0 3 -3,-1.0 55,-0.5 -6,-0.4 2,-0.3 -0.359 32.5 161.5 -63.7 129.5 19.9 10.6 7.0 16 16 A K E -AB 7 69A 47 -9,-2.1 -9,-3.3 53,-0.1 2,-0.5 -0.985 23.0-156.3-142.7 141.7 19.3 8.0 4.3 17 17 A V E -AB 6 68A 4 51,-2.1 51,-2.8 -2,-0.3 2,-0.4 -0.987 11.4-170.0-120.7 121.0 21.6 5.6 2.6 18 18 A Y E -A 5 0A 16 -13,-2.7 -13,-2.7 -2,-0.5 2,-0.4 -0.828 21.3-126.9-102.2 146.0 20.8 4.2 -0.8 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.6 -2,-0.4 2,-0.4 -0.775 25.8-155.9 -88.0 134.7 22.7 1.4 -2.6 20 20 A E E -AC 3 25A 25 -17,-2.5 -17,-2.1 -2,-0.4 2,-0.5 -0.921 10.1-156.4-110.4 140.6 23.9 2.3 -6.1 21 21 A K E > S-AC 2 24A 83 3,-2.7 3,-1.9 -2,-0.4 -19,-0.2 -0.985 86.8 -18.8-112.4 118.9 24.6 -0.1 -8.9 22 22 A D T 3 S- 0 0 110 -21,-2.6 -1,-0.2 -2,-0.5 -20,-0.1 0.897 132.7 -48.4 46.9 48.1 27.0 1.5 -11.3 23 23 A G T 3 S+ 0 0 39 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.322 117.6 107.8 84.6 -6.0 26.1 4.9 -10.0 24 24 A K E < S-C 21 0A 60 -3,-1.9 -3,-2.7 1,-0.0 -1,-0.2 -0.906 72.2-115.2-110.9 126.2 22.4 4.5 -10.1 25 25 A P E +C 20 0A 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.292 37.9 178.1 -56.2 137.9 20.2 4.1 -6.9 26 26 A V E -C 19 0A 5 -7,-2.6 -7,-0.6 39,-0.1 2,-0.5 -0.850 39.6 -80.4-129.6 169.0 18.4 0.7 -6.7 27 27 A S >> - 0 0 0 -2,-0.3 4,-1.9 1,-0.1 5,-0.5 -0.627 27.2-154.9 -74.1 126.8 16.2 -0.8 -4.0 28 28 A A T 45S+ 0 0 0 37,-1.7 -1,-0.1 -2,-0.5 38,-0.1 0.725 96.7 43.9 -71.0 -22.2 18.2 -2.3 -1.1 29 29 A F T 45S+ 0 0 0 68,-0.1 69,-2.8 36,-0.1 70,-0.2 0.897 129.9 16.6 -84.1 -48.8 15.2 -4.6 -0.4 30 30 A H T 45S+ 0 0 0 207,-0.2 -2,-0.2 67,-0.2 4,-0.1 0.730 118.4 53.4-104.7 -26.2 14.3 -5.8 -4.0 31 31 A D T <5S+ 0 0 6 -4,-1.9 -3,-0.2 34,-0.1 -1,-0.1 0.551 84.4 84.9 -98.8 -12.3 17.1 -5.1 -6.4 32 32 A I S S-E 42 0B 62 5,-2.2 5,-2.5 -3,-0.1 3,-0.5 -0.766 71.8-173.2-148.0 96.1 26.6 -17.6 -6.2 38 38 A K T > 5S+ 0 0 126 -2,-0.2 3,-1.4 -3,-0.2 -1,-0.1 0.895 82.8 56.6 -61.7 -42.7 23.4 -19.8 -5.8 39 39 A E T 3 5S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.841 116.9 35.4 -60.9 -32.6 25.1 -23.1 -6.5 40 40 A N T 3 5S- 0 0 108 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.241 111.9-117.1-106.1 12.5 27.5 -22.6 -3.6 41 41 A N T < 5 + 0 0 39 -3,-1.4 2,-0.6 -4,-0.3 92,-0.5 0.856 55.4 160.1 51.7 42.1 25.0 -20.7 -1.3 42 42 A I E < -EF 37 132B 30 -5,-2.5 -6,-2.5 90,-0.1 -5,-2.2 -0.871 22.9-160.1 -92.1 123.0 27.0 -17.5 -1.3 43 43 A F E -EF 35 131B 0 88,-2.6 88,-2.7 -2,-0.6 2,-0.5 -0.695 19.1-125.7-103.8 148.6 24.6 -14.7 -0.3 44 44 A N E - F 0 130B 10 -10,-2.8 2,-0.4 -11,-0.3 86,-0.2 -0.843 29.2-160.3 -83.1 129.2 24.7 -11.0 -0.7 45 45 A M E - F 0 129B 0 84,-3.2 84,-2.1 -2,-0.5 2,-0.7 -0.949 10.8-146.0-109.3 132.2 24.2 -9.3 2.7 46 46 A V E -GF 95 128B 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.4 -0.897 20.5-144.1 -92.0 117.5 23.1 -5.7 3.0 47 47 A V E +G 94 0B 0 80,-2.6 79,-3.2 -2,-0.7 80,-0.3 -0.701 28.1 167.6 -83.8 130.3 24.9 -4.2 6.1 48 48 A E E + 0 0 10 45,-2.3 46,-0.2 -2,-0.4 -1,-0.2 0.794 66.2 31.2-101.7 -45.9 22.8 -1.8 8.1 49 49 A I E S-G 93 0B 1 44,-2.7 44,-2.8 75,-0.1 -1,-0.3 -0.966 73.3-136.2-127.7 115.9 24.8 -1.4 11.4 50 50 A P > - 0 0 15 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.394 40.6 -89.9 -65.3 145.3 28.6 -1.6 11.8 51 51 A R T 3 S+ 0 0 6 1,-0.2 39,-0.2 70,-0.1 41,-0.1 -0.291 111.3 21.0 -53.2 138.7 30.0 -3.5 14.7 52 52 A W T 3 S+ 0 0 14 37,-3.4 -1,-0.2 35,-0.4 2,-0.2 0.596 97.9 114.8 73.5 21.5 30.5 -1.4 17.8 53 53 A T < - 0 0 49 -3,-1.5 36,-2.2 36,-0.2 -1,-0.3 -0.681 51.7-154.9-110.6 168.8 28.1 1.4 16.8 54 54 A N + 0 0 20 -2,-0.2 26,-2.6 34,-0.2 2,-0.1 0.672 55.0 106.5-116.6 -32.8 24.8 2.4 18.5 55 55 A A B -N 79 0C 8 24,-0.2 2,-1.7 1,-0.1 24,-0.2 -0.373 69.1-129.9 -61.8 130.6 22.5 4.0 16.0 56 56 A K + 0 0 19 22,-2.3 15,-2.8 15,-0.2 2,-0.3 -0.567 37.2 177.1 -85.3 82.1 19.6 1.7 15.0 57 57 A L E +D 70 0A 7 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.646 2.9 167.5 -89.2 140.4 19.8 1.9 11.2 58 58 A E E -D 69 0A 70 11,-2.5 11,-2.6 -2,-0.3 2,-0.2 -0.995 44.0 -98.1-151.3 146.0 17.5 -0.2 9.1 59 59 A I E -D 68 0A 10 -2,-0.3 2,-0.6 9,-0.3 9,-0.3 -0.509 44.8-134.8 -54.7 125.9 16.3 -0.7 5.5 60 60 A T > - 0 0 18 7,-2.7 3,-0.5 -2,-0.2 -31,-0.1 -0.829 13.7-161.8 -92.0 122.7 12.9 1.1 5.5 61 61 A K T 3 S+ 0 0 37 -2,-0.6 174,-2.9 1,-0.2 -1,-0.1 0.784 85.2 55.5 -68.1 -26.2 10.2 -0.9 3.8 62 62 A E T 3 S+ 0 0 133 172,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.505 90.3 78.1 -94.6 -9.0 7.9 2.1 3.3 63 63 A E S X S- 0 0 47 -3,-0.5 3,-2.4 4,-0.2 172,-0.1 -0.796 93.2 -92.0-103.0 146.6 10.2 4.5 1.4 64 64 A T T 3 S+ 0 0 60 -2,-0.3 -2,-0.1 1,-0.3 174,-0.1 -0.339 111.9 9.7 -65.2 131.9 10.9 4.2 -2.3 65 65 A L T 3 S- 0 0 0 172,-0.4 -37,-1.7 1,-0.2 -46,-0.3 0.434 109.9-107.9 69.7 7.6 14.0 2.2 -3.1 66 66 A N < - 0 0 0 -3,-2.4 -1,-0.2 -39,-0.2 -38,-0.2 0.855 46.8-167.0 50.4 56.1 14.1 1.2 0.6 67 67 A P - 0 0 0 0, 0.0 -7,-2.7 0, 0.0 2,-0.5 -0.207 27.7-102.0 -67.4 163.1 17.1 3.3 1.8 68 68 A I E +BD 17 59A 0 -51,-2.8 -51,-2.1 -9,-0.3 2,-0.3 -0.783 51.9 166.5 -85.8 127.8 18.7 2.6 5.2 69 69 A I E -BD 16 58A 34 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.4 -0.876 40.8 -88.6-134.6 168.3 17.5 5.2 7.7 70 70 A Q E - D 0 57A 7 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.660 44.6-114.7 -83.2 134.6 17.7 5.6 11.5 71 71 A D - 0 0 47 -15,-2.8 7,-2.6 -2,-0.4 2,-0.3 -0.315 36.5-166.7 -60.5 144.5 14.8 4.1 13.5 72 72 A T E -O 77 0D 63 5,-0.2 2,-0.4 -59,-0.0 5,-0.2 -0.958 16.2-160.5-132.8 154.0 12.6 6.7 15.3 73 73 A K E > S-O 76 0D 103 3,-2.2 3,-1.9 -2,-0.3 -2,-0.0 -0.965 81.0 -18.8-137.3 124.5 10.0 6.5 18.0 74 74 A K T 3 S- 0 0 187 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.852 131.0 -49.1 47.7 43.3 7.6 9.4 18.5 75 75 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.416 113.6 116.5 86.6 -0.8 10.0 11.7 16.6 76 76 A K E < -O 73 0D 149 -3,-1.9 -3,-2.2 -63,-0.0 -1,-0.2 -0.863 68.4-115.3-106.2 134.0 13.2 10.7 18.5 77 77 A L E -O 72 0D 47 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.400 33.8-131.6 -63.2 139.3 16.2 8.9 16.9 78 78 A R + 0 0 57 -7,-2.6 -22,-2.3 -22,-0.2 2,-0.3 -0.801 26.9 175.4-104.0 136.2 16.8 5.4 18.4 79 79 A F B -N 55 0C 34 -2,-0.4 2,-0.4 -24,-0.2 -24,-0.2 -0.943 31.2-123.3-129.2 148.5 20.0 4.0 19.6 80 80 A V - 0 0 0 -26,-2.6 2,-0.2 -2,-0.3 107,-0.1 -0.793 36.9-129.5 -82.5 138.0 20.9 0.7 21.3 81 81 A R - 0 0 47 105,-0.5 2,-0.5 -2,-0.4 192,-0.1 -0.487 25.2 -94.5 -85.4 160.9 22.6 1.4 24.6 82 82 A N E -p 273 0E 0 190,-0.9 192,-3.0 188,-0.3 2,-0.6 -0.690 39.2-164.6 -77.2 120.8 25.9 -0.0 25.7 83 83 A C E > -p 274 0E 0 -2,-0.5 3,-2.8 5,-0.3 192,-0.2 -0.923 38.6 -81.3-115.5 104.7 25.2 -3.1 27.8 84 84 A F T 3 S+ 0 0 30 190,-2.5 192,-0.3 -2,-0.6 3,-0.1 -0.157 115.5 16.3 -51.6 135.1 28.2 -4.2 29.8 85 85 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.931 117.7 79.1 -92.8 17.7 30.5 -5.9 28.7 86 86 A H < - 0 0 2 -3,-2.8 2,-0.6 277,-0.1 277,-0.1 -0.498 61.9-146.6 -90.5 152.3 29.3 -5.1 25.2 87 87 A H - 0 0 24 -2,-0.2 -35,-0.4 -5,-0.2 -5,-0.1 -0.958 61.4 -57.7-117.8 106.1 29.8 -1.9 23.1 88 88 A G S S- 0 0 0 -2,-0.6 -5,-0.3 -36,-0.2 2,-0.3 -0.245 115.2 -3.2 61.6-145.3 26.9 -1.1 20.8 89 89 A Y - 0 0 14 -36,-2.2 -37,-3.4 -39,-0.3 -36,-0.2 -0.605 62.5-152.7 -73.6 139.5 26.1 -3.9 18.4 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.376 75.1 46.6-101.2 7.1 28.5 -6.9 18.7 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.7 -42,-0.1 -39,-0.2 -0.899 95.3 -99.0-131.3 159.4 28.1 -8.0 15.1 92 92 A N E - H 0 117B 0 25,-2.2 25,-3.1 -2,-0.3 2,-0.4 -0.811 58.5-152.7 -70.2 118.1 28.1 -6.4 11.7 93 93 A Y E +GH 49 116B 19 -44,-2.8 -44,-2.7 -2,-0.7 -45,-2.3 -0.843 35.5 106.4-112.5 131.8 24.3 -6.3 11.6 94 94 A G E -GH 47 115B 0 21,-2.4 21,-2.5 -2,-0.4 2,-0.3 -0.744 48.4 -98.0-165.6-144.7 22.1 -6.4 8.5 95 95 A A E -GH 46 114B 1 -49,-2.2 -49,-2.6 19,-0.3 19,-0.2 -0.965 27.5-102.1-154.1 162.5 19.8 -8.5 6.4 96 96 A F > - 0 0 0 17,-1.9 3,-0.5 -2,-0.3 17,-0.3 -0.852 40.3-131.0 -90.5 128.4 19.5 -10.6 3.2 97 97 A P T 3 S+ 0 0 1 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.299 88.6 35.2 -70.6 163.1 17.8 -8.7 0.4 98 98 A Q T 3 S+ 0 0 21 -69,-2.8 2,-0.3 1,-0.2 122,-0.2 0.827 98.1 108.2 59.0 32.4 15.0 -10.4 -1.5 99 99 A T < + 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 -1,-0.2 -0.966 41.4 176.0-131.7 154.8 13.8 -12.1 1.7 100 100 A W - 0 0 0 116,-1.4 2,-1.3 -2,-0.3 119,-0.2 -0.884 30.8-136.4-160.4 122.8 10.7 -11.4 3.8 101 101 A E - 0 0 9 10,-2.3 9,-2.2 -2,-0.3 10,-0.2 -0.731 34.9-141.1 -80.2 95.4 9.3 -13.1 6.8 102 102 A D - 0 0 30 -2,-1.3 6,-0.8 1,-0.2 7,-0.1 -0.452 15.2-164.4 -65.3 118.4 5.7 -13.0 5.7 103 103 A P 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.487 360.0 360.0 -81.7 -2.6 3.5 -12.3 8.7 104 104 A N 0 0 94 126,-0.1 4,-0.1 3,-0.1 -2,-0.0 -0.478 360.0 360.0 -85.6 360.0 0.4 -13.5 6.9 105 ! 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 0.0 106 112 A A 0 0 108 0, 0.0 38,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 167.1 5.1 -18.4 15.6 107 113 A V E -i 144 0B 59 36,-1.5 38,-3.0 1,-0.1 -3,-0.1 -0.492 360.0 -87.7-110.4 155.1 4.7 -15.8 12.9 108 114 A G E -i 145 0B 15 -6,-0.8 -1,-0.1 36,-0.2 38,-0.1 -0.323 31.7-133.7 -59.7 145.4 6.9 -14.0 10.4 109 115 A D - 0 0 18 36,-0.6 -7,-0.1 2,-0.2 -1,-0.1 0.344 35.6-117.9 -90.0 7.2 8.4 -10.8 11.7 110 116 A N S S+ 0 0 52 -9,-2.2 -8,-0.1 1,-0.2 -1,-0.1 0.673 80.4 88.0 68.2 25.2 7.5 -8.7 8.5 111 117 A D S S- 0 0 38 -10,-0.2 -10,-2.3 -50,-0.0 -1,-0.2 -0.928 88.9 -77.2-140.3 166.0 11.1 -7.8 7.5 112 118 A P S S- 0 0 5 0, 0.0 -12,-0.2 0, 0.0 2,-0.0 -0.305 70.1 -84.5 -54.5 149.3 14.0 -9.2 5.5 113 119 A I - 0 0 0 -17,-0.3 -17,-1.9 100,-0.1 2,-0.2 -0.363 50.6-117.7 -66.3 135.1 15.7 -12.0 7.4 114 120 A D E -Hj 95 148B 14 33,-0.9 35,-2.9 -19,-0.2 2,-0.4 -0.518 27.0-158.7 -79.9 146.3 18.3 -10.6 9.8 115 121 A V E -Hj 94 149B 0 -21,-2.5 -21,-2.4 33,-0.2 2,-0.6 -0.982 12.4-159.2-132.8 129.2 22.0 -11.5 9.5 116 122 A L E -Hj 93 150B 1 33,-3.6 35,-2.9 -2,-0.4 2,-0.6 -0.955 14.6-159.9-102.3 113.3 24.8 -11.3 12.1 117 123 A E E -Hj 92 151B 2 -25,-3.1 -25,-2.2 -2,-0.6 35,-0.2 -0.879 6.4-171.6-103.4 124.0 28.2 -11.2 10.2 118 124 A I + 0 0 16 33,-2.4 34,-0.1 -2,-0.6 -1,-0.1 0.313 36.4 124.1-103.8 5.4 31.0 -12.3 12.5 119 125 A G - 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C 0 415H 0 -20,-2.0 -20,-2.4 -2,-0.3 2,-0.1 -1.000 29.9-108.7-137.3 137.6 35.9 8.3 38.9 436 159 B D E > - C 0 414H 18 -2,-0.4 3,-1.9 -22,-0.2 -22,-0.3 -0.396 27.0-133.4 -55.0 128.9 35.4 11.8 37.5 437 160 B I T 3 S+ 0 0 65 -24,-2.6 -1,-0.1 1,-0.3 -23,-0.1 0.719 105.5 58.7 -64.2 -17.1 33.9 14.0 40.2 438 161 B N T 3 S+ 0 0 129 -25,-0.4 -1,-0.3 4,-0.1 -24,-0.1 0.489 77.7 115.3 -87.1 -5.4 31.4 15.2 37.6 439 162 B D S X S- 0 0 13 -3,-1.9 3,-1.8 1,-0.1 -4,-0.0 -0.424 76.7-123.1 -64.9 139.5 30.0 11.8 36.9 440 163 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.806 112.5 47.1 -50.3 -32.4 26.3 11.5 38.0 441 164 B L T >> S+ 0 0 49 1,-0.2 3,-1.8 2,-0.1 4,-0.7 0.506 81.1 101.9 -86.4 -8.0 27.3 8.5 40.3 442 165 B A G X4 S+ 0 0 4 -3,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.875 76.9 55.1 -49.0 -46.7 30.3 10.2 41.9 443 166 B P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 109.8 47.9 -60.4 -22.6 28.6 11.1 45.2 444 167 B K G <4 S+ 0 0 123 -3,-1.8 2,-0.7 -4,-0.1 -2,-0.2 0.464 99.2 77.4 -92.5 -6.1 27.6 7.4 45.6 445 168 B L << + 0 0 0 -3,-1.7 -1,-0.1 -4,-0.7 3,-0.1 -0.908 44.5 135.3-111.2 106.9 31.1 6.1 44.9 446 169 B N + 0 0 76 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.630 66.1 18.5-125.7 -20.6 33.5 6.5 47.8 447 170 B D S >> S- 0 0 45 41,-0.1 3,-1.6 42,-0.1 4,-0.6 -0.913 86.8 -91.0-146.7 173.5 35.4 3.2 48.2 448 171 B I H >> S+ 0 0 12 -31,-0.9 4,-1.1 1,-0.3 3,-1.0 0.792 117.9 62.7 -61.8 -32.2 36.2 0.1 46.1 449 172 B E H 3> S+ 0 0 113 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.830 96.3 61.3 -63.6 -28.8 33.2 -1.9 47.3 450 173 B D H <> S+ 0 0 40 -3,-1.6 4,-2.3 1,-0.2 5,-0.3 0.798 95.6 60.9 -67.8 -27.9 31.0 0.8 45.7 451 174 B V H < S- 0 0 14 -4,-2.7 3,-2.5 -5,-0.3 4,-0.5 -0.467 81.3-169.4-128.8 56.6 29.5 -1.4 38.1 456 179 B P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.267 73.5 13.4 -58.7 129.4 29.1 -5.2 38.8 457 180 B G T 3> S+ 0 0 22 -182,-0.0 4,-2.4 -372,-0.0 5,-0.2 0.176 95.9 106.4 93.6 -14.8 31.6 -7.2 36.8 458 181 B L H <> S+ 0 0 4 -3,-2.5 4,-2.3 -7,-0.2 5,-0.1 0.926 78.9 47.7 -66.6 -43.1 33.8 -4.3 35.9 459 182 B L H > S+ 0 0 18 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.905 112.6 49.3 -65.7 -39.9 36.6 -5.1 38.3 460 183 B R H > S+ 0 0 201 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 112.5 48.0 -63.3 -43.3 36.7 -8.8 37.2 461 184 B A H X S+ 0 0 10 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.848 108.4 55.5 -62.9 -36.1 36.8 -7.6 33.6 462 185 B T H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.908 106.5 50.2 -62.3 -44.4 39.6 -5.2 34.5 463 186 B N H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.946 113.8 45.7 -57.8 -48.2 41.7 -8.1 35.9 464 187 B E H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.940 110.3 53.8 -60.5 -46.0 41.1 -10.1 32.7 465 188 B W H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.933 111.1 43.3 -58.7 -49.5 41.9 -7.1 30.4 466 189 B F H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 12,-0.2 0.760 112.9 54.6 -74.6 -22.5 45.3 -6.4 31.9 467 190 B R H < S+ 0 0 69 -4,-1.7 11,-2.3 -5,-0.2 -1,-0.2 0.921 123.1 22.8 -66.7 -44.6 46.1 -10.0 32.1 468 191 B I H >< S+ 0 0 13 -4,-2.3 3,-2.0 9,-0.2 -2,-0.2 0.550 87.9 100.7-104.8 -12.1 45.5 -10.7 28.4 469 192 B Y T 3< S+ 0 0 5 -4,-2.2 -111,-0.5 1,-0.3 -1,-0.2 0.672 89.1 42.4 -61.8 -20.8 45.8 -7.4 26.4 470 193 B K T > >S+ 0 0 10 -3,-0.2 5,-1.9 6,-0.2 3,-1.5 0.433 85.1 94.1-104.4 3.2 49.3 -8.0 25.1 471 194 B I G X 5S+ 0 0 54 -3,-2.0 3,-2.1 1,-0.3 -2,-0.2 0.919 83.9 55.3 -60.1 -42.5 48.8 -11.7 24.2 472 195 B P G 3 5S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.658 102.3 57.9 -61.4 -15.5 47.9 -10.6 20.6 473 196 B D G < 5S- 0 0 38 -3,-1.5 -2,-0.2 2,-0.1 -3,-0.1 0.357 125.8-102.8 -89.3 -1.9 51.3 -8.7 20.5 474 197 B G T < 5S+ 0 0 72 -3,-2.1 -3,-0.2 1,-0.3 -4,-0.0 0.647 81.9 127.6 84.9 18.6 53.1 -12.0 21.2 475 198 B K < - 0 0 75 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.639 61.9 -98.0-100.0 161.6 53.8 -11.2 24.8 476 199 B P - 0 0 99 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.247 45.8 -86.3 -67.7 162.9 52.9 -13.4 27.9 477 200 B E - 0 0 96 -7,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.441 47.1-130.6 -60.2 140.7 49.9 -13.1 30.1 478 201 B N - 0 0 11 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.384 20.1-145.9 -81.9 176.3 50.5 -10.6 32.9 479 202 B Q E -E 423 0H 136 -56,-1.4 -56,-3.2 -2,-0.1 2,-0.4 -0.926 1.3-136.9-140.4 163.8 49.8 -11.2 36.5 480 203 B F E > -E 422 0H 26 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.929 15.9-126.5-117.7 148.2 48.6 -9.4 39.6 481 204 B A G > S+ 0 0 18 -60,-2.7 3,-1.8 -2,-0.4 -60,-0.4 -0.411 96.9 36.1 -74.4 166.7 49.7 -9.4 43.2 482 205 B F G > S- 0 0 72 1,-0.3 3,-2.2 -96,-0.2 -1,-0.2 0.775 132.0 -76.9 57.2 29.0 47.1 -10.1 45.9 483 206 B S G < S- 0 0 127 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.803 91.4 -54.6 49.4 35.9 45.5 -12.6 43.4 484 207 B G G < S+ 0 0 11 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.504 90.5 163.7 79.7 7.0 44.1 -9.6 41.6 485 208 B E < - 0 0 98 -3,-2.2 2,-0.9 -4,-0.2 -64,-0.5 -0.287 38.9-131.5 -54.3 136.0 42.3 -8.0 44.6 486 209 B A E -D 420 0H 18 -66,-0.1 -66,-0.2 -68,-0.0 -1,-0.1 -0.844 27.1-145.9 -87.4 107.2 41.4 -4.4 44.2 487 210 B K E -D 419 0H 46 -68,-2.5 -68,-2.0 -2,-0.9 -70,-0.0 -0.300 24.4 -95.2 -68.3 162.3 42.7 -2.9 47.4 488 211 B N E > -D 418 0H 60 -70,-0.3 4,-2.5 -41,-0.1 -70,-0.2 0.017 33.9 -91.5 -82.4 179.3 40.7 -0.0 48.9 489 212 B K H > S+ 0 0 50 -72,-0.5 4,-2.9 1,-0.2 5,-0.2 0.904 124.2 54.3 -57.2 -44.1 40.8 3.8 48.8 490 213 B K H > S+ 0 0 170 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 110.6 46.5 -58.4 -43.8 43.1 4.0 51.8 491 214 B Y H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.6 52.1 -62.5 -44.5 45.6 1.6 50.2 492 215 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.914 107.2 51.2 -58.7 -47.1 45.4 3.6 46.9 493 216 B L H X S+ 0 0 41 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.875 108.6 53.1 -61.0 -36.4 46.1 6.9 48.6 494 217 B D H X S+ 0 0 104 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.929 112.7 42.5 -66.0 -44.2 49.2 5.3 50.3 495 218 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.900 111.6 54.1 -72.1 -39.3 50.6 4.1 47.0 496 219 B I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.937 108.8 50.7 -56.0 -44.9 49.8 7.3 45.2 497 220 B K H X S+ 0 0 112 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.929 107.7 53.1 -57.8 -48.8 51.8 9.1 47.9 498 221 B E H X S+ 0 0 51 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.940 111.2 45.8 -52.4 -50.4 54.7 6.8 47.4 499 222 B T H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -122,-1.2 0.830 111.1 52.5 -69.4 -26.4 54.8 7.5 43.7 500 223 B H H X S+ 0 0 27 -4,-2.1 4,-2.3 -124,-0.2 -1,-0.2 0.913 109.0 50.3 -69.2 -42.2 54.4 11.3 44.3 501 224 B D H X S+ 0 0 60 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.864 108.6 52.4 -62.9 -39.8 57.4 11.1 46.7 502 225 B S H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.908 109.9 48.8 -62.0 -43.3 59.4 9.2 44.0 503 226 B W H X S+ 0 0 14 -4,-1.8 4,-3.1 -128,-0.2 5,-0.3 0.887 105.2 57.9 -63.2 -38.6 58.6 12.0 41.5 504 227 B K H X S+ 0 0 107 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 109.7 45.3 -59.2 -40.1 59.6 14.7 44.0 505 228 B Q H <>S+ 0 0 89 -4,-1.7 5,-2.4 2,-0.2 6,-0.5 0.929 113.9 49.8 -66.3 -45.8 63.1 13.1 44.2 506 229 B L H ><5S+ 0 0 1 -4,-2.3 3,-1.7 4,-0.2 5,-0.3 0.940 111.1 46.7 -56.7 -49.9 63.2 12.7 40.4 507 230 B I H 3<5S+ 0 0 8 -4,-3.1 22,-0.4 1,-0.3 -1,-0.2 0.737 106.1 59.6 -74.1 -21.2 62.2 16.3 39.6 508 231 B A T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.460 117.8-112.6 -77.5 -4.9 64.8 17.6 42.2 509 232 B G T < 5S+ 0 0 50 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.677 87.4 116.9 78.6 19.0 67.5 15.9 40.2 510 233 B K < + 0 0 156 -5,-2.4 -4,-0.2 -6,-0.2 2,-0.2 0.341 32.3 116.7-107.7 5.2 68.1 13.4 43.1 511 234 B S - 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0 0 43 -10,-2.8 3,-1.3 -2,-0.1 4,-0.4 -0.624 28.3-171.9-163.2 95.9 62.4 27.1 32.3 532 255 B K G > S+ 0 0 152 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.897 90.1 66.1 -56.3 -38.1 59.4 29.3 31.5 533 256 B A G >> S+ 0 0 63 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.697 80.1 76.7 -49.6 -35.4 61.0 29.8 28.0 534 257 B A G X4 S+ 0 0 14 -3,-1.3 3,-0.6 1,-0.2 4,-0.3 0.822 88.5 59.9 -50.9 -35.2 60.5 26.1 27.1 535 258 B S G X4 S+ 0 0 6 -3,-1.5 3,-1.5 -4,-0.4 -1,-0.2 0.902 99.5 54.7 -61.7 -41.3 56.8 26.8 26.4 536 259 B D G <4 S+ 0 0 112 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.758 98.1 64.9 -67.2 -23.7 57.5 29.4 23.7 537 260 B A G << S+ 0 0 83 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.529 78.7 101.3 -76.2 -10.8 59.7 26.8 21.8 538 261 B I S < S- 0 0 18 -3,-1.5 -196,-0.0 -4,-0.3 -3,-0.0 -0.620 79.4-114.5 -78.3 134.1 56.7 24.5 21.1 539 262 B P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.171 37.5 -94.1 -60.9 159.9 55.3 24.9 17.5 540 263 B P - 0 0 101 0, 0.0 -258,-0.0 0, 0.0 0, 0.0 -0.225 54.4 -77.1 -67.5 163.9 51.8 26.2 17.1 541 264 B A + 0 0 61 1,-0.1 -257,-0.2 -257,-0.1 -247,-0.0 -0.287 43.3 179.4 -55.7 144.7 48.8 23.9 16.8 542 265 B S E -s 284 0G 56 -259,-2.6 -257,-1.4 -257,-0.1 2,-0.1 -0.376 14.8-176.4-143.8 58.5 48.4 22.2 13.4 543 266 B L E -s 285 0G 120 -259,-0.2 2,-0.3 -260,-0.1 -257,-0.2 -0.389 2.4-179.6 -69.5 130.4 45.3 20.1 14.0 544 267 B K E -s 286 0G 132 -259,-1.7 -257,-0.6 -2,-0.1 3,-0.1 -0.872 37.3 -84.8-121.3 158.9 44.3 17.9 11.1 545 268 B A - 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