==== 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 2IK4 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.OKSANEN,A.K.AHONEN,H.TUOMINEN,V.TUOMINEN,R.LAHTI, . 557 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 21.5 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 . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.6 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 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 9 6 2 2 3 0 0 1 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 1 1 1 0 1 0 1 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,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.7 29.4 -2.5 -8.9 2 2 A Y E +A 21 0A 64 19,-0.2 2,-0.2 124,-0.1 19,-0.2 -0.838 360.0 156.5 -98.6 132.2 27.5 -1.5 -5.8 3 3 A T E -A 20 0A 61 17,-1.9 17,-2.2 -2,-0.4 2,-0.4 -0.660 34.2-108.2-131.2-171.7 28.2 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 -0.946 10.9-154.1-125.2 150.4 26.2 4.0 -1.6 5 5 A R E -A 18 0A 37 13,-2.5 13,-2.6 -2,-0.4 2,-0.5 -0.973 16.4-155.4-120.9 115.9 24.6 7.4 -1.9 6 6 A Q E -A 17 0A 54 -2,-0.5 251,-3.4 11,-0.2 2,-0.4 -0.803 5.2-165.3 -94.9 126.6 24.2 9.3 1.4 7 7 A I E -A 16 0A 27 9,-3.0 9,-2.1 -2,-0.5 249,-0.1 -0.919 58.6 -9.9-103.0 136.7 21.5 11.9 1.8 8 8 A G S S- 0 0 9 -2,-0.4 2,-0.4 7,-0.2 251,-0.3 -0.068 99.5 -46.4 74.2-177.1 21.9 14.3 4.8 9 9 A A > - 0 0 10 249,-0.1 3,-0.8 1,-0.1 6,-0.3 -0.763 62.2-105.1 -88.7 138.4 24.2 14.2 7.8 10 10 A K T 3 S+ 0 0 47 249,-0.4 252,-2.5 -2,-0.4 3,-0.1 -0.263 105.1 30.1 -55.5 147.2 24.8 10.9 9.7 11 11 A N T 3 S+ 0 0 21 1,-0.3 2,-0.3 250,-0.2 -1,-0.2 0.798 101.6 104.2 68.5 30.6 23.0 10.9 13.1 12 12 A T S X S- 0 0 26 -3,-0.8 3,-1.1 250,-0.0 58,-0.3 -0.920 83.5-111.0-129.8 167.3 20.1 13.1 12.0 13 13 A L T 3 S+ 0 0 104 -2,-0.3 57,-0.1 1,-0.2 -3,-0.1 0.726 115.0 57.1 -64.9 -23.4 16.5 12.7 11.0 14 14 A E T 3 S+ 0 0 124 -5,-0.2 -1,-0.2 -4,-0.1 2,-0.1 0.497 79.2 119.1 -86.4 -9.1 17.3 13.5 7.3 15 15 A Y < + 0 0 2 -3,-1.1 55,-0.5 -6,-0.3 2,-0.3 -0.395 32.1 161.4 -68.7 132.8 19.9 10.8 6.9 16 16 A K E -A 7 0A 50 -9,-2.1 -9,-3.0 53,-0.1 2,-0.5 -0.983 23.1-155.9-145.4 144.8 19.3 8.2 4.3 17 17 A V E -AB 6 68A 5 51,-2.0 51,-2.7 -2,-0.3 2,-0.3 -0.985 11.8-169.6-124.0 121.8 21.6 5.7 2.5 18 18 A Y E -A 5 0A 16 -13,-2.6 -13,-2.5 -2,-0.5 2,-0.4 -0.824 21.6-125.9-100.8 147.5 20.7 4.3 -0.9 19 19 A I E -AC 4 26A 0 7,-0.6 7,-2.5 -2,-0.3 2,-0.4 -0.791 26.9-157.8 -86.6 133.4 22.4 1.5 -2.6 20 20 A E E -AC 3 25A 25 -17,-2.2 -17,-1.9 -2,-0.4 2,-0.5 -0.924 10.9-155.1-106.8 141.6 23.6 2.4 -6.2 21 21 A K E > S-AC 2 24A 94 3,-2.6 3,-2.1 -2,-0.4 -19,-0.2 -0.985 86.7 -19.3-109.4 120.3 24.3 -0.0 -9.0 22 22 A D T 3 S- 0 0 111 -21,-2.6 -1,-0.2 -2,-0.5 -20,-0.1 0.901 133.1 -47.4 46.4 46.3 26.8 1.6 -11.4 23 23 A G T 3 S+ 0 0 37 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.285 117.8 106.2 87.1 -6.8 25.9 5.0 -10.1 24 24 A K E < S-C 21 0A 127 -3,-2.1 -3,-2.6 1,-0.0 -1,-0.2 -0.889 72.0-115.1-111.1 129.7 22.1 4.7 -10.1 25 25 A P E +C 20 0A 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.334 37.1 178.0 -57.7 138.6 20.0 4.1 -7.0 26 26 A V E -C 19 0A 6 -7,-2.5 -7,-0.6 39,-0.1 2,-0.4 -0.862 40.1 -79.5-130.4 168.5 18.1 0.8 -6.7 27 27 A S > - 0 0 0 -2,-0.3 4,-2.0 1,-0.1 5,-0.5 -0.587 28.7-155.8 -70.5 125.2 15.9 -0.7 -4.0 28 28 A A T 4 S+ 0 0 0 37,-1.8 -1,-0.1 -2,-0.4 38,-0.1 0.699 96.6 44.2 -73.5 -19.9 17.9 -2.2 -1.1 29 29 A F T 4 S+ 0 0 0 36,-0.2 69,-3.1 68,-0.2 70,-0.2 0.900 129.6 17.8 -84.9 -48.1 15.0 -4.5 -0.4 30 30 A H T 4 S+ 0 0 0 205,-0.2 -2,-0.2 67,-0.2 206,-0.1 0.696 117.6 52.6-105.5 -24.9 14.1 -5.7 -4.0 31 31 A D S < S+ 0 0 6 -4,-2.0 -3,-0.2 34,-0.1 -1,-0.1 0.533 84.7 84.2-101.7 -11.8 16.8 -5.0 -6.5 32 32 A I S S- 0 0 0 -5,-0.5 14,-0.1 -4,-0.1 12,-0.1 -0.858 85.6-121.0 -92.2 119.8 19.8 -6.7 -4.8 33 33 A P - 0 0 52 0, 0.0 11,-0.3 0, 0.0 -2,-0.1 -0.326 8.8-136.2 -60.6 141.6 19.7 -10.4 -5.7 34 34 A L S S+ 0 0 1 9,-0.1 10,-2.3 64,-0.1 2,-0.5 0.903 90.0 56.5 -60.4 -43.0 19.6 -12.7 -2.6 35 35 A Y E +E 43 0B 30 8,-0.3 8,-0.3 1,-0.2 3,-0.2 -0.827 47.8 177.9 -99.0 126.1 22.2 -15.0 -4.2 36 36 A A E S+ 0 0 51 6,-2.3 2,-0.2 -2,-0.5 7,-0.2 0.733 99.2 6.3 -77.7 -34.5 25.6 -13.9 -5.3 37 37 A D E > >S-E 42 0B 64 5,-2.2 5,-2.3 -3,-0.1 3,-0.6 -0.728 71.1-171.4-150.2 97.0 26.2 -17.6 -6.2 38 38 A K G > 5S+ 0 0 126 1,-0.2 3,-1.1 -3,-0.2 -1,-0.1 0.857 82.8 57.4 -60.8 -38.4 23.1 -19.8 -5.8 39 39 A E G 3 5S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.843 116.5 34.6 -63.0 -35.7 24.8 -23.1 -6.3 40 40 A N G < 5S- 0 0 109 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.237 111.4-117.7-103.2 9.3 27.2 -22.5 -3.5 41 41 A N T < 5 + 0 0 39 -3,-1.1 2,-0.6 -4,-0.3 90,-0.5 0.849 54.9 160.0 54.8 41.4 24.7 -20.6 -1.3 42 42 A I E < -EF 37 130B 28 -5,-2.3 -6,-2.3 88,-0.1 -5,-2.2 -0.867 22.4-161.2 -93.3 122.7 26.7 -17.4 -1.3 43 43 A F E -EF 35 129B 0 86,-2.6 86,-2.5 -2,-0.6 2,-0.5 -0.690 20.2-123.8-104.6 150.5 24.3 -14.6 -0.3 44 44 A N E - F 0 128B 10 -10,-2.3 2,-0.5 -11,-0.3 84,-0.2 -0.846 30.0-160.0 -85.3 128.1 24.4 -10.8 -0.7 45 45 A M E - F 0 127B 0 82,-3.0 82,-1.9 -2,-0.5 2,-0.7 -0.938 10.4-144.9-106.2 130.1 24.0 -9.2 2.7 46 46 A V E -GF 95 126B 0 49,-2.8 49,-2.3 -2,-0.5 2,-0.4 -0.887 20.7-143.5 -88.9 118.6 22.9 -5.6 3.0 47 47 A V E +G 94 0B 0 78,-2.9 77,-3.2 -2,-0.7 78,-0.3 -0.693 29.1 166.6 -86.2 132.1 24.7 -4.2 6.0 48 48 A E E + 0 0 12 45,-2.5 46,-0.2 -2,-0.4 -1,-0.2 0.782 65.1 31.7-106.2 -46.8 22.8 -1.7 8.0 49 49 A I E S-G 93 0B 1 44,-2.8 44,-2.9 73,-0.1 -1,-0.3 -0.967 73.3-135.2-127.1 115.4 24.8 -1.3 11.3 50 50 A P > - 0 0 19 0, 0.0 3,-1.5 0, 0.0 39,-0.3 -0.384 41.3 -90.2 -63.0 142.9 28.6 -1.5 11.7 51 51 A R T 3 S+ 0 0 6 1,-0.2 39,-0.2 68,-0.1 41,-0.1 -0.273 111.8 21.3 -51.1 138.7 29.9 -3.5 14.7 52 52 A W T 3 S+ 0 0 14 37,-3.6 -1,-0.2 35,-0.4 2,-0.2 0.585 98.2 112.9 72.1 19.1 30.3 -1.4 17.8 53 53 A T < - 0 0 48 -3,-1.5 36,-2.3 36,-0.2 -1,-0.3 -0.667 51.9-154.6-108.0 172.3 28.0 1.5 16.8 54 54 A N + 0 0 20 -2,-0.2 26,-2.8 34,-0.2 -1,-0.1 0.690 54.3 108.5-118.9 -32.5 24.7 2.4 18.4 55 55 A A B -N 79 0C 8 24,-0.3 2,-1.7 1,-0.1 24,-0.2 -0.319 68.5-130.2 -61.2 127.5 22.4 4.2 15.8 56 56 A K + 0 0 10 22,-2.4 15,-3.2 15,-0.2 2,-0.4 -0.594 36.9 176.8 -85.3 82.2 19.5 1.8 14.9 57 57 A L E +D 70 0A 6 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.697 3.0 170.2 -88.6 135.2 19.8 2.1 11.1 58 58 A E E -D 69 0A 63 11,-2.5 11,-2.6 -2,-0.4 2,-0.2 -1.000 43.6 -98.9-145.6 146.9 17.4 -0.1 9.0 59 59 A I E -D 68 0A 6 -2,-0.3 2,-0.7 9,-0.3 9,-0.3 -0.475 46.7-132.7 -52.7 128.3 16.2 -0.6 5.4 60 60 A T > - 0 0 11 7,-2.2 3,-0.9 -2,-0.2 -31,-0.1 -0.805 18.5-166.7 -98.3 111.9 12.9 1.3 5.4 61 61 A K T 3 S+ 0 0 23 -2,-0.7 172,-2.9 1,-0.2 -1,-0.2 0.755 84.5 57.0 -70.3 -18.9 10.1 -0.8 3.9 62 62 A E T 3 S+ 0 0 108 170,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.514 92.8 76.9 -89.2 -12.7 7.8 2.3 3.6 63 63 A E S X S- 0 0 57 -3,-0.9 3,-2.4 4,-0.2 170,-0.1 -0.787 93.1 -91.9-106.5 149.3 10.0 4.6 1.5 64 64 A T T 3 S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.3 172,-0.1 -0.361 113.4 7.6 -63.6 128.2 10.7 4.4 -2.3 65 65 A L T 3 S- 0 0 0 170,-0.4 -37,-1.8 1,-0.2 -46,-0.3 0.452 111.2-106.2 68.0 8.6 13.8 2.3 -3.1 66 66 A N < - 0 0 0 -3,-2.4 -1,-0.2 -39,-0.2 -38,-0.1 0.870 47.1-164.4 49.5 55.5 13.8 1.4 0.6 67 67 A P - 0 0 0 0, 0.0 -7,-2.2 0, 0.0 2,-0.5 -0.227 26.6-103.2 -65.9 157.4 16.8 3.5 1.8 68 68 A I E +BD 17 59A 0 -51,-2.7 -51,-2.0 -9,-0.3 2,-0.3 -0.751 51.9 167.6 -81.8 129.9 18.4 2.8 5.1 69 69 A I E - D 0 58A 34 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.3 -0.945 40.9 -90.5-139.0 163.4 17.4 5.4 7.7 70 70 A Q E - D 0 57A 7 -55,-0.5 -13,-0.2 -58,-0.3 9,-0.1 -0.549 44.1-118.7 -78.8 133.4 17.6 5.7 11.4 71 71 A D - 0 0 40 -15,-3.2 7,-2.6 -2,-0.3 2,-0.3 -0.303 32.2-158.5 -65.2 150.9 14.7 4.3 13.3 72 72 A T E -O 77 0D 61 5,-0.3 2,-0.5 -59,-0.0 5,-0.2 -0.955 16.0-151.4-131.0 156.1 12.7 6.8 15.4 73 73 A K E > S-O 76 0D 79 3,-2.3 3,-1.6 -2,-0.3 -2,-0.0 -0.954 83.7 -28.1-130.0 108.8 10.3 6.6 18.4 74 74 A K T 3 S- 0 0 190 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.917 130.0 -41.8 48.9 51.1 7.7 9.4 18.5 75 75 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -62,-0.0 -1,-0.3 0.276 115.8 110.4 88.9 -10.1 10.0 11.8 16.6 76 76 A K E < S-O 73 0D 156 -3,-1.6 -3,-2.3 1,-0.0 -1,-0.2 -0.817 72.8-109.2-105.6 137.1 13.3 10.9 18.4 77 77 A L E -O 72 0D 46 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.374 34.2-131.0 -60.9 136.6 16.3 9.1 16.9 78 78 A R + 0 0 52 -7,-2.6 -22,-2.4 -22,-0.2 2,-0.4 -0.782 28.1 174.8 -98.7 131.1 16.7 5.6 18.3 79 79 A F B -N 55 0C 32 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.3 -0.999 31.5-124.7-129.6 132.6 20.1 4.3 19.5 80 80 A V - 0 0 0 -26,-2.8 2,-0.1 -2,-0.4 105,-0.1 -0.585 35.4-124.5 -71.0 138.9 20.7 1.0 21.1 81 81 A R - 0 0 48 103,-0.5 2,-0.5 -2,-0.3 190,-0.1 -0.452 23.8 -97.2 -86.5 160.2 22.4 1.5 24.5 82 82 A N E -p 271 0E 1 188,-1.0 190,-3.1 186,-0.3 2,-0.6 -0.669 37.3-164.5 -80.6 121.6 25.7 0.0 25.6 83 83 A C E > -p 272 0E 1 -2,-0.5 3,-2.7 5,-0.3 190,-0.2 -0.924 38.0 -82.1-114.2 104.0 24.9 -3.1 27.7 84 84 A F T 3 S+ 0 0 28 188,-2.4 190,-0.3 -2,-0.6 3,-0.1 -0.147 115.1 17.0 -50.3 134.2 28.0 -4.2 29.8 85 85 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.933 117.8 79.3 -90.2 16.7 30.2 -5.9 28.7 86 86 A H < - 0 0 2 -3,-2.7 2,-0.6 275,-0.1 3,-0.1 -0.485 62.4-146.1 -89.3 151.8 29.1 -5.0 25.1 87 87 A H - 0 0 23 -2,-0.2 -35,-0.4 -5,-0.2 -5,-0.1 -0.952 61.2 -59.5-116.3 107.8 29.7 -1.9 23.1 88 88 A G S S- 0 0 0 -2,-0.6 2,-0.3 -36,-0.1 -5,-0.3 -0.229 115.4 -2.0 57.5-143.6 26.7 -1.1 20.8 89 89 A Y - 0 0 7 -36,-2.3 -37,-3.6 -39,-0.3 -36,-0.2 -0.608 62.3-153.7 -73.7 138.3 26.0 -3.9 18.3 90 90 A I S S+ 0 0 4 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.1 0.359 74.8 47.7-101.6 4.2 28.4 -6.8 18.6 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.6 -42,-0.1 25,-0.2 -0.924 95.3 -99.1-125.9 160.0 28.0 -7.9 15.0 92 92 A N E - H 0 115B 0 23,-2.1 23,-3.1 -2,-0.3 2,-0.4 -0.767 58.6-153.3 -67.3 119.4 28.0 -6.3 11.6 93 93 A Y E +GH 49 114B 20 -44,-2.9 -44,-2.8 -2,-0.6 -45,-2.5 -0.861 34.9 108.1-116.2 131.5 24.2 -6.2 11.5 94 94 A G E -GH 47 113B 0 19,-2.2 19,-2.3 -2,-0.4 2,-0.3 -0.785 48.0 -97.0-165.3-145.5 22.0 -6.2 8.4 95 95 A A E -GH 46 112B 1 -49,-2.3 -49,-2.8 17,-0.3 17,-0.2 -0.960 25.9-104.8-154.9 160.7 19.6 -8.2 6.3 96 96 A F - 0 0 0 15,-1.8 3,-0.5 -2,-0.3 15,-0.3 -0.848 39.6-131.3 -92.8 127.6 19.2 -10.4 3.2 97 97 A P S S+ 0 0 1 0, 0.0 -67,-0.2 0, 0.0 -68,-0.2 -0.301 88.4 35.0 -69.9 161.3 17.6 -8.6 0.3 98 98 A Q S S+ 0 0 20 -69,-3.1 2,-0.3 1,-0.2 120,-0.2 0.849 97.2 110.3 61.6 32.1 14.7 -10.3 -1.5 99 99 A T + 0 0 0 -3,-0.5 2,-0.3 -70,-0.2 -1,-0.2 -0.968 40.9 176.8-132.8 152.5 13.5 -11.8 1.7 100 100 A W - 0 0 1 114,-1.3 2,-1.2 -2,-0.3 117,-0.2 -0.906 29.7-135.3-159.6 123.4 10.4 -11.1 3.7 101 101 A E - 0 0 8 8,-1.8 7,-1.6 -2,-0.3 8,-0.1 -0.728 31.6-139.9 -83.1 98.2 9.1 -12.7 6.8 102 102 A D 0 0 84 -2,-1.2 4,-0.8 1,-0.2 5,-0.1 -0.467 360.0 360.0 -63.4 115.2 5.4 -13.0 5.8 103 103 A P 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.350 360.0 360.0 -76.4 360.0 3.3 -12.1 8.9 104 ! 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 0.0 105 113 A V 0 0 101 0, 0.0 38,-1.9 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 137.2 4.6 -15.4 13.2 106 114 A G B -i 143 0B 13 -4,-0.8 38,-0.1 36,-0.2 -4,-0.0 -0.045 360.0-137.4 -49.2 140.6 6.7 -13.4 10.6 107 115 A D - 0 0 13 36,-0.6 -1,-0.1 2,-0.2 -5,-0.1 0.286 36.7-118.3 -89.9 10.5 8.1 -10.1 11.7 108 116 A N S S+ 0 0 45 -7,-1.6 -6,-0.1 1,-0.2 -1,-0.1 0.584 80.9 93.8 68.6 17.5 7.2 -8.3 8.4 109 117 A E S S- 0 0 46 -8,-0.1 -8,-1.8 1,-0.1 -1,-0.2 -0.873 87.3 -79.5-132.4 162.9 10.8 -7.5 7.5 110 118 A P - 0 0 5 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.284 68.2 -86.1 -55.1 149.1 13.7 -9.0 5.5 111 119 A I - 0 0 0 -15,-0.3 -15,-1.8 100,-0.1 2,-0.2 -0.346 49.6-116.2 -65.8 140.5 15.4 -11.7 7.5 112 120 A D E -Hj 95 146B 18 33,-1.0 35,-3.0 -17,-0.2 2,-0.4 -0.615 26.2-158.4 -86.8 148.8 18.1 -10.5 9.8 113 121 A V E -Hj 94 147B 0 -19,-2.3 -19,-2.2 -2,-0.2 2,-0.6 -0.983 11.6-159.7-133.6 126.5 21.8 -11.3 9.5 114 122 A L E -Hj 93 148B 0 33,-3.5 35,-2.7 -2,-0.4 2,-0.6 -0.922 14.4-160.7-101.0 113.1 24.6 -11.2 12.0 115 123 A E E -Hj 92 149B 2 -23,-3.1 -23,-2.1 -2,-0.6 35,-0.2 -0.870 6.5-172.3-103.1 124.6 27.9 -11.1 10.2 116 124 A I + 0 0 16 33,-2.2 34,-0.1 -2,-0.6 -1,-0.1 0.291 36.0 124.4-105.9 6.7 30.8 -12.2 12.5 117 125 A G - 0 0 2 32,-0.2 -25,-0.1 2,-0.1 -2,-0.0 -0.074 69.4-107.8 -70.7 168.5 34.0 -11.5 10.6 118 126 A E S S+ 0 0 40 33,-0.1 2,-0.2 435,-0.1 -1,-0.1 0.836 90.5 82.3 -65.7 -40.0 36.8 -9.4 11.7 119 127 A T S S- 0 0 50 1,-0.1 2,-0.3 434,-0.1 -68,-0.1 -0.521 80.1-122.9 -77.9 134.1 36.4 -6.3 9.5 120 128 A I - 0 0 40 -2,-0.2 -1,-0.1 429,-0.2 -2,-0.1 -0.610 31.9-141.1 -71.1 131.7 33.9 -3.6 10.6 121 129 A A - 0 0 7 -2,-0.3 2,-0.3 -72,-0.1 -1,-0.1 -0.223 6.8-121.7 -90.5 176.5 31.4 -3.1 7.8 122 130 A Y > - 0 0 116 -73,-0.1 3,-2.3 -72,-0.1 -75,-0.2 -0.912 33.3 -92.7-123.6 148.1 29.8 0.1 6.5 123 131 A T T 3 S+ 0 0 12 -2,-0.3 -75,-0.2 1,-0.3 3,-0.1 -0.427 113.8 18.1 -61.5 127.0 26.1 1.2 6.2 124 132 A G T 3 S+ 0 0 2 -77,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.426 89.2 147.6 91.3 0.4 24.8 0.2 2.8 125 133 A Q < - 0 0 33 -3,-2.3 -78,-2.9 -78,-0.3 2,-0.6 -0.483 39.1-151.3 -67.4 135.0 27.6 -2.2 2.1 126 134 A V E +F 46 0B 19 -80,-0.2 2,-0.3 -2,-0.2 -80,-0.2 -0.970 28.1 169.8-102.1 109.6 26.7 -5.2 -0.1 127 135 A K E -F 45 0B 7 -82,-1.9 -82,-3.0 -2,-0.6 2,-0.5 -0.821 33.4-116.8-117.3 162.1 29.0 -8.0 1.0 128 136 A Q E +F 44 0B 57 -2,-0.3 24,-2.6 -84,-0.2 25,-0.4 -0.879 39.3 175.3-103.2 130.3 29.0 -11.7 0.1 129 137 A V E -FK 43 151B 0 -86,-2.5 -86,-2.6 -2,-0.5 2,-0.4 -0.902 29.1-134.9-134.2 158.3 28.5 -14.1 2.9 130 138 A K E -FK 42 150B 34 20,-2.4 20,-2.1 -2,-0.3 2,-0.3 -0.904 30.6-122.0-108.0 143.5 28.0 -17.8 3.8 131 139 A A E + K 0 149B 1 -90,-0.5 18,-0.3 -2,-0.4 3,-0.1 -0.662 29.4 174.4 -86.1 136.4 25.4 -18.8 6.3 132 140 A L E - 0 0 0 16,-3.3 31,-0.8 1,-0.4 72,-0.5 0.605 59.0 -44.6-111.7 -25.0 26.6 -20.8 9.3 133 141 A G E -LK 203 148B 0 15,-1.4 15,-2.6 70,-0.2 -1,-0.4 -0.973 50.7-118.0 174.8-171.5 23.4 -21.1 11.4 134 142 A I E -LK 202 147B 0 68,-1.9 68,-2.7 -2,-0.3 2,-0.3 -0.986 7.0-156.1-159.4 141.4 20.4 -19.4 12.8 135 143 A M E - K 0 146B 3 11,-2.5 11,-2.7 -2,-0.3 2,-0.6 -0.876 17.3-137.2-117.7 153.7 18.8 -18.4 16.1 136 144 A A E - K 0 145B 3 64,-0.4 60,-2.7 60,-0.3 2,-0.3 -0.903 21.2-171.0-115.6 101.0 15.1 -17.8 16.7 137 145 A L E -MK 195 144B 0 7,-1.6 7,-3.5 -2,-0.6 2,-0.6 -0.710 14.3-146.9 -88.3 138.9 14.5 -14.8 18.9 138 146 A L E +MK 194 143B 66 56,-3.4 56,-1.6 -2,-0.3 2,-0.5 -0.965 23.8 173.8-102.5 115.8 10.9 -14.0 20.1 139 147 A D - 0 0 15 3,-2.2 3,-0.3 -2,-0.6 54,-0.1 -0.910 68.7 -25.5-128.2 101.1 10.5 -10.3 20.3 140 148 A E S S- 0 0 159 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.901 126.6 -45.3 65.9 45.1 7.0 -9.0 21.2 141 149 A G S S+ 0 0 66 1,-0.2 2,-0.4 -34,-0.0 -1,-0.2 0.676 115.7 113.5 72.8 18.3 5.1 -12.0 19.9 142 150 A E S S- 0 0 68 -3,-0.3 -3,-2.2 -35,-0.1 2,-0.7 -0.979 70.1-123.4-124.9 137.8 7.1 -12.2 16.6 143 151 A T E -iK 106 138B 32 -38,-1.9 2,-0.7 -2,-0.4 -36,-0.6 -0.671 30.7-174.6 -71.4 111.8 9.5 -14.7 15.3 144 152 A D E - K 0 137B 15 -7,-3.5 -7,-1.6 -2,-0.7 -9,-0.1 -0.781 8.9-159.0-116.9 83.6 12.6 -12.7 14.7 145 153 A W E - K 0 136B 36 -2,-0.7 -33,-1.0 -9,-0.2 2,-0.5 -0.345 3.5-159.7 -64.8 142.0 15.2 -15.0 13.0 146 154 A K E -jK 112 135B 1 -11,-2.7 -11,-2.5 -35,-0.1 2,-0.4 -0.958 6.8-153.2-126.1 107.1 18.9 -14.1 13.2 147 155 A V E -jK 113 134B 0 -35,-3.0 -33,-3.5 -2,-0.5 2,-0.5 -0.665 8.8-143.3 -76.7 131.2 21.1 -15.7 10.6 148 156 A I E +jK 114 133B 3 -15,-2.6 -16,-3.3 -2,-0.4 -15,-1.4 -0.900 35.9 159.9 -95.8 124.8 24.7 -16.2 11.7 149 157 A A E -jK 115 131B 0 -35,-2.7 -33,-2.2 -2,-0.5 2,-0.3 -0.882 29.8-142.2-140.5 163.6 26.9 -15.6 8.6 150 158 A I E - K 0 130B 0 -20,-2.1 -20,-2.4 -2,-0.3 2,-0.1 -0.999 29.8-106.8-136.4 143.1 30.5 -14.7 7.7 151 159 A D E > - K 0 129B 17 -2,-0.3 3,-1.9 -22,-0.2 -22,-0.3 -0.422 26.7-135.8 -59.0 128.3 32.0 -12.5 4.9 152 160 A I T 3 S+ 0 0 67 -24,-2.6 -1,-0.1 1,-0.3 -23,-0.1 0.660 104.5 60.5 -64.5 -18.2 33.5 -14.9 2.3 153 161 A N T 3 S+ 0 0 123 -25,-0.4 -1,-0.3 4,-0.1 -24,-0.1 0.485 77.5 116.3 -84.4 -4.6 36.5 -12.6 2.2 154 162 A D S X S- 0 0 12 -3,-1.9 3,-1.9 1,-0.1 -4,-0.0 -0.427 75.9-124.6 -64.7 137.1 37.3 -13.1 5.9 155 163 A P T 3 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.806 112.4 45.8 -47.7 -34.2 40.7 -14.8 6.5 156 164 A L T >> S+ 0 0 46 1,-0.2 3,-1.3 2,-0.1 4,-0.6 0.476 82.1 100.5 -87.3 -6.6 38.8 -17.5 8.5 157 165 A A G X4 S+ 0 0 3 -3,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.877 76.8 56.3 -56.0 -44.4 36.0 -18.1 6.0 158 166 A P G 34 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.830 109.0 49.7 -54.3 -31.2 37.4 -21.3 4.5 159 167 A K G <4 S+ 0 0 123 -3,-1.3 2,-0.6 -4,-0.1 -2,-0.2 0.508 100.7 74.8 -84.8 -7.8 37.6 -22.8 8.0 160 168 A L << + 0 0 0 -3,-1.7 3,-0.1 -4,-0.6 -10,-0.1 -0.935 42.9 134.4-111.7 116.3 34.0 -21.9 8.8 161 169 A N + 0 0 79 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.600 67.4 19.4-126.0 -27.2 31.2 -24.0 7.3 162 170 A D S >> S- 0 0 37 41,-0.1 3,-1.5 42,-0.1 4,-0.5 -0.873 86.5 -89.1-143.9 173.8 28.7 -24.8 10.0 163 171 A I H >> S+ 0 0 8 -31,-0.8 3,-1.1 1,-0.3 4,-1.1 0.787 116.7 63.5 -61.0 -33.4 27.6 -23.6 13.5 164 172 A E H 3> S+ 0 0 109 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.802 96.3 61.1 -61.6 -28.5 30.0 -25.8 15.4 165 173 A D H <> S+ 0 0 43 -3,-1.5 4,-2.3 2,-0.2 5,-0.3 0.773 94.9 60.3 -70.4 -28.6 32.9 -23.9 13.8 166 174 A V H < S- 0 0 14 -4,-2.3 3,-2.3 -5,-0.3 4,-0.5 -0.419 79.0-172.4-131.0 56.5 34.8 -17.6 18.1 171 179 A P T 3 S+ 0 0 23 0, 0.0 387,-0.1 0, 0.0 -4,-0.1 -0.283 73.7 15.2 -61.2 134.7 34.3 -19.2 21.6 172 180 A G T 3> S+ 0 0 40 387,-0.1 4,-2.3 384,-0.1 5,-0.2 0.138 94.8 104.3 85.5 -15.7 31.8 -17.2 23.7 173 181 A L H <> S+ 0 0 5 -3,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.887 80.9 50.6 -63.4 -41.7 30.3 -15.2 20.7 174 182 A L H > S+ 0 0 28 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.918 111.2 48.8 -62.7 -40.8 27.2 -17.4 20.6 175 183 A R H > S+ 0 0 188 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 112.6 47.9 -61.1 -46.6 26.7 -16.9 24.4 176 184 A A H X S+ 0 0 7 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.885 110.3 52.5 -62.1 -39.8 27.2 -13.1 24.0 177 185 A T H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.926 109.5 48.9 -62.1 -47.1 24.7 -13.1 21.1 178 186 A N H X S+ 0 0 26 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.949 115.6 43.9 -53.8 -52.8 22.2 -14.9 23.2 179 187 A E H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.927 111.6 52.9 -60.1 -49.1 22.7 -12.4 26.1 180 188 A W H X S+ 0 0 1 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.918 110.7 45.9 -57.1 -50.3 22.8 -9.3 23.8 181 189 A F H < S+ 0 0 1 -4,-2.2 12,-0.3 1,-0.2 -1,-0.2 0.802 112.5 53.1 -69.0 -25.2 19.4 -10.1 22.1 182 190 A R H < S+ 0 0 79 -4,-1.5 11,-2.3 -5,-0.3 3,-0.2 0.922 123.3 23.5 -68.5 -43.9 17.9 -10.9 25.5 183 191 A I H >< S+ 0 0 15 -4,-2.3 3,-2.0 9,-0.2 -2,-0.2 0.559 88.6 100.1-104.2 -10.0 18.8 -7.6 27.2 184 192 A Y T 3< S+ 0 0 14 -4,-2.4 -103,-0.5 1,-0.3 -1,-0.2 0.647 89.0 43.4 -66.0 -16.9 19.4 -5.0 24.5 185 193 A K T > >S+ 0 0 39 -3,-0.2 5,-2.0 6,-0.2 3,-1.1 0.426 87.8 90.5 -99.6 -3.2 15.9 -3.3 24.9 186 194 A I G X 5S+ 0 0 56 -3,-2.0 3,-2.1 1,-0.3 -2,-0.2 0.920 83.4 55.7 -60.7 -43.7 15.9 -3.3 28.7 187 195 A P G 3 5S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.694 103.9 56.8 -58.3 -19.8 17.6 0.1 28.8 188 196 A D G < 5S- 0 0 54 -3,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.336 124.4-104.2 -88.6 1.7 14.6 1.4 26.6 189 197 A G T < 5S+ 0 0 70 -3,-2.1 -3,-0.2 1,-0.3 -4,-0.0 0.734 82.2 126.1 77.0 25.0 12.1 0.2 29.3 190 198 A K < - 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0 0 80 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.583 61.2 -99.3 -90.9 160.0 53.5 -11.4 25.0 474 199 B P - 0 0 96 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.192 47.2 -86.4 -65.3 162.3 52.7 -13.7 28.0 475 200 B E - 0 0 95 -7,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.524 46.7-130.4 -61.3 139.3 49.6 -13.2 30.2 476 201 B N - 0 0 12 -11,-2.3 2,-0.3 -12,-0.2 -54,-0.2 -0.297 20.2-148.7 -78.1 175.8 50.2 -10.7 33.0 477 202 B Q E -I 421 0M 136 -56,-1.4 -56,-3.0 -2,-0.1 2,-0.4 -0.927 2.1-135.5-141.5 169.5 49.4 -11.3 36.7 478 203 B F E > -I 420 0M 23 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.944 17.3-123.0-123.6 145.1 48.3 -9.4 39.7 479 204 B A G > S+ 0 0 19 -60,-2.5 3,-1.8 -2,-0.4 -60,-0.4 -0.363 97.7 36.4 -69.7 165.9 49.4 -9.4 43.3 480 205 B F G > S- 0 0 71 1,-0.3 3,-2.1 -96,-0.2 -1,-0.2 0.762 131.6 -76.6 57.9 30.9 46.7 -10.1 46.0 481 206 B S G < S- 0 0 127 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.814 91.6 -55.7 46.3 36.3 45.2 -12.6 43.5 482 207 B G G < S+ 0 0 10 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.515 89.3 164.8 79.7 9.5 43.8 -9.5 41.7 483 208 B E < - 0 0 102 -3,-2.1 2,-0.9 -4,-0.2 -64,-0.5 -0.275 39.1-129.6 -57.2 138.6 42.0 -8.0 44.7 484 209 B A - 0 0 18 -66,-0.1 -66,-0.2 -68,-0.0 -1,-0.1 -0.860 27.7-146.2 -87.2 106.4 41.0 -4.4 44.3 485 210 B K B -C 417 0H 46 -68,-2.4 -68,-2.1 -2,-0.9 -70,-0.0 -0.308 24.2 -98.2 -68.7 160.0 42.3 -2.8 47.4 486 211 B N > - 0 0 62 -70,-0.2 4,-2.4 -41,-0.1 -70,-0.2 0.064 33.9 -89.6 -81.1-178.8 40.4 0.1 48.9 487 212 B K H > S+ 0 0 55 -72,-0.5 4,-2.9 1,-0.2 5,-0.2 0.906 124.3 53.9 -58.5 -44.6 40.6 3.9 48.8 488 213 B K H > S+ 0 0 169 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 110.9 47.2 -56.7 -43.3 42.9 4.1 51.8 489 214 B Y H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 111.3 51.5 -64.1 -44.0 45.3 1.7 50.1 490 215 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.910 107.7 51.3 -59.9 -46.7 45.1 3.6 46.9 491 216 B L H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.867 108.0 53.4 -58.6 -38.5 45.9 6.9 48.6 492 217 B D H X S+ 0 0 104 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.914 112.8 42.8 -64.4 -44.0 49.0 5.4 50.3 493 218 B I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.862 111.2 54.1 -71.8 -39.5 50.3 4.1 46.9 494 219 B I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.932 108.9 50.9 -59.9 -43.1 49.5 7.4 45.1 495 220 B K H X S+ 0 0 113 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.941 107.6 52.5 -56.8 -50.5 51.5 9.1 47.9 496 221 B E H X S+ 0 0 49 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.928 111.7 45.3 -49.9 -49.7 54.5 6.8 47.4 497 222 B T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -122,-1.2 0.832 111.4 52.7 -69.6 -29.5 54.6 7.5 43.6 498 223 B H H X S+ 0 0 27 -4,-2.2 4,-2.1 -124,-0.2 -1,-0.2 0.909 109.5 49.8 -67.8 -43.3 54.2 11.2 44.2 499 224 B D H X S+ 0 0 58 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.885 108.6 51.6 -62.0 -40.5 57.2 11.1 46.6 500 225 B S H X S+ 0 0 15 -4,-2.2 4,-2.4 -125,-0.2 -1,-0.2 0.899 109.9 50.7 -60.4 -42.9 59.3 9.2 44.0 501 226 B W H X S+ 0 0 12 -4,-1.8 4,-3.2 -128,-0.2 5,-0.3 0.888 104.1 57.1 -62.2 -41.9 58.4 11.9 41.5 502 227 B K H X S+ 0 0 110 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.880 111.1 43.9 -57.3 -38.7 59.5 14.7 44.0 503 228 B Q H <>S+ 0 0 87 -4,-1.6 5,-2.5 2,-0.2 6,-0.5 0.911 113.7 51.1 -69.7 -45.4 62.9 13.1 44.2 504 229 B L H ><5S+ 0 0 1 -4,-2.4 3,-1.4 4,-0.2 5,-0.3 0.942 111.7 45.6 -55.5 -50.3 63.0 12.6 40.4 505 230 B I H 3<5S+ 0 0 8 -4,-3.2 22,-0.4 1,-0.3 -1,-0.2 0.756 106.6 59.0 -74.3 -22.5 62.1 16.2 39.6 506 231 B A T 3<5S- 0 0 38 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.486 117.7-112.7 -77.8 -7.3 64.6 17.6 42.2 507 232 B G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.676 87.2 116.1 81.9 22.4 67.3 15.8 40.2 508 233 B K < + 0 0 152 -5,-2.5 -4,-0.2 -6,-0.2 2,-0.2 0.258 33.0 118.5-110.5 9.7 68.0 13.4 43.1 509 234 B S - 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