==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-01 1K20 . COMPND 2 MOLECULE: MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS GORDONII; . AUTHOR S.AHN,A.J.MILNER,K.FUTTERER,M.KONOPKA,M.ILIAS,T.W.YOUNG,S.A. . 620 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 45 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.4 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 4 2 0 0 2 2 4 2 0 0 2 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 2 0 0 2 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 . 2 0 1 1 1 2 0 2 0 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 . 0 0 0 0 2 0 0 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 2 A S 0 0 99 0, 0.0 2,-0.4 0, 0.0 32,-0.3 0.000 360.0 360.0 360.0 166.7 -0.4 5.9 9.4 2 3 A K - 0 0 66 66,-0.3 2,-0.7 65,-0.1 69,-0.5 -0.523 360.0-151.8 -71.8 123.9 -1.9 7.0 12.8 3 4 A I E -ab 34 71A 7 30,-2.7 32,-1.9 -2,-0.4 2,-0.3 -0.869 13.5-143.2 -98.6 115.6 0.6 8.6 15.2 4 5 A L E -ab 35 72A 0 67,-1.5 69,-2.8 -2,-0.7 2,-0.5 -0.617 11.2-162.4 -82.5 136.5 -0.5 8.1 18.8 5 6 A V E +ab 36 73A 0 30,-2.5 32,-2.4 -2,-0.3 2,-0.3 -0.982 26.1 147.1-119.9 122.3 0.2 10.9 21.3 6 7 A F E - b 0 74A 0 67,-1.9 69,-2.1 -2,-0.5 32,-0.2 -0.996 38.2-129.2-156.2 158.7 0.0 10.0 24.9 7 8 A G - 0 0 3 30,-0.4 69,-0.2 -2,-0.3 3,-0.1 -0.180 51.1 -63.0 -92.2-169.1 1.3 10.6 28.4 8 9 A H - 0 0 0 67,-0.3 31,-0.4 1,-0.2 -1,-0.2 -0.101 62.2 -74.9 -75.4 170.9 2.6 8.1 31.0 9 10 A Q S S+ 0 0 72 73,-2.6 -1,-0.2 1,-0.2 31,-0.1 -0.324 122.7 26.0 -59.5 149.8 0.8 5.2 32.7 10 11 A N S S- 0 0 36 29,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.963 99.0-149.2 55.0 53.0 -1.5 6.5 35.5 11 12 A P - 0 0 3 0, 0.0 32,-0.4 0, 0.0 2,-0.2 -0.191 12.4-158.0 -56.4 142.4 -1.8 9.7 33.6 12 13 A D > - 0 0 6 30,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.401 41.4 -79.2-106.8-172.0 -2.3 12.9 35.6 13 14 A S H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 133,-0.3 0.879 130.7 48.2 -59.9 -39.5 -3.8 16.2 34.4 14 15 A D H > S+ 0 0 0 132,-0.3 4,-2.7 2,-0.2 5,-0.3 0.887 110.0 52.3 -69.3 -37.1 -0.6 17.4 32.8 15 16 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.944 116.1 40.1 -62.6 -47.1 -0.2 14.1 30.9 16 17 A I H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.928 118.5 46.7 -67.5 -46.9 -3.8 14.2 29.6 17 18 A G H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.923 113.1 47.2 -63.3 -45.9 -3.7 18.0 28.8 18 19 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.870 115.1 45.2 -66.5 -38.0 -0.3 18.0 27.1 19 20 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.902 113.6 49.5 -73.2 -39.5 -1.0 15.0 24.9 20 21 A Y H X S+ 0 0 60 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.953 116.9 42.6 -61.7 -48.1 -4.5 16.3 23.9 21 22 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.912 114.0 49.3 -66.3 -44.5 -3.1 19.7 23.1 22 23 A F H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.868 104.8 57.9 -67.0 -34.7 0.0 18.4 21.2 23 24 A A H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 11,-0.3 0.916 110.0 46.1 -59.9 -40.1 -2.0 16.0 19.1 24 25 A Y H X S+ 0 0 95 -4,-1.3 4,-2.7 -5,-0.2 5,-0.2 0.938 111.9 50.6 -66.2 -47.1 -4.0 19.0 17.9 25 26 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.916 109.7 49.7 -57.5 -46.9 -0.8 21.2 17.3 26 27 A A H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 6,-1.4 0.872 113.8 45.4 -62.0 -39.2 0.9 18.5 15.3 27 28 A R H X S+ 0 0 112 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.926 117.1 44.0 -70.4 -44.7 -2.1 17.9 13.0 28 29 A E H < S+ 0 0 115 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.903 120.2 39.1 -68.2 -43.2 -2.8 21.7 12.5 29 30 A A H < S+ 0 0 36 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.837 136.9 11.5 -79.4 -34.7 0.8 22.7 11.9 30 31 A Y H < S- 0 0 150 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.426 94.6-116.0-125.2 -0.8 2.1 19.8 9.8 31 32 A G < + 0 0 58 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.1 0.694 54.1 166.5 73.2 18.0 -1.0 17.8 8.8 32 33 A L - 0 0 38 -6,-1.4 2,-1.9 1,-0.1 -1,-0.2 -0.410 44.3-121.4 -68.5 142.4 0.2 14.8 10.8 33 34 A D + 0 0 77 -32,-0.3 -30,-2.7 -2,-0.1 2,-0.2 -0.532 53.0 163.3 -85.5 73.6 -2.4 12.1 11.4 34 35 A T E -a 3 0A 8 -2,-1.9 2,-0.3 -11,-0.3 -30,-0.2 -0.511 25.0-167.7 -92.8 159.0 -2.2 12.2 15.2 35 36 A E E -a 4 0A 47 -32,-1.9 -30,-2.5 -2,-0.2 2,-0.4 -0.943 18.5-136.4-146.9 122.9 -4.6 10.8 17.8 36 37 A A E +a 5 0A 19 -2,-0.3 23,-0.5 -32,-0.2 2,-0.3 -0.691 36.4 163.1 -80.5 128.9 -4.5 11.7 21.4 37 38 A V - 0 0 1 -32,-2.4 -30,-0.4 -2,-0.4 2,-0.3 -0.827 25.0-135.1-136.1 173.9 -5.0 8.5 23.5 38 39 A A B -j 60 0B 1 21,-2.5 23,-2.5 -2,-0.3 -29,-0.1 -0.928 13.5-141.1-134.2 159.3 -4.3 7.6 27.2 39 40 A L S S+ 0 0 29 -31,-0.4 2,-0.3 -2,-0.3 -29,-0.2 0.346 88.3 9.7 -99.6 4.5 -2.9 4.6 29.0 40 41 A G S S- 0 0 15 -31,-0.1 -1,-0.1 19,-0.1 3,-0.1 -0.977 88.9 -79.8-169.8 166.7 -5.4 4.8 31.8 41 42 A E - 0 0 141 -2,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.416 61.0 -90.9 -73.1 153.8 -8.7 6.5 32.9 42 43 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.298 38.1-121.7 -65.5 148.7 -8.4 10.0 34.3 43 44 A N > - 0 0 28 -32,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.248 39.5 -90.2 -78.2 178.7 -7.9 10.5 38.0 44 45 A E H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 145,-0.1 0.845 126.1 52.4 -62.6 -34.5 -10.5 12.5 40.0 45 46 A E H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.956 113.1 43.8 -65.2 -49.0 -8.7 15.8 39.5 46 47 A T H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.834 107.3 59.7 -66.0 -33.2 -8.5 15.4 35.8 47 48 A A H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.902 106.7 48.5 -61.1 -38.9 -12.1 14.2 35.6 48 49 A F H X S+ 0 0 66 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.927 112.2 48.8 -64.9 -44.7 -13.1 17.5 37.1 49 50 A V H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 112.4 47.2 -59.5 -51.3 -10.9 19.3 34.5 50 51 A L H X>S+ 0 0 4 -4,-3.1 5,-2.7 1,-0.2 4,-0.7 0.922 114.9 45.1 -59.3 -47.2 -12.3 17.4 31.6 51 52 A D H ><5S+ 0 0 134 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.882 109.8 56.7 -65.9 -36.7 -15.9 17.9 32.6 52 53 A Y H 3<5S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.1 34.5 -61.1 -44.4 -15.3 21.6 33.4 53 54 A F H 3<5S- 0 0 26 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.406 112.8-115.0 -93.1 3.6 -14.1 22.3 29.9 54 55 A G T <<5 + 0 0 61 -4,-0.7 2,-0.4 -3,-0.5 -3,-0.2 0.882 65.4 142.1 67.5 41.0 -16.4 19.9 28.1 55 56 A V < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.953 48.3-128.0-117.6 131.2 -13.7 17.5 26.8 56 57 A A - 0 0 83 -2,-0.4 3,-0.1 1,-0.1 -5,-0.0 -0.471 36.2 -98.6 -74.4 146.0 -14.1 13.7 26.7 57 58 A A - 0 0 42 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.391 47.2-100.9 -62.6 137.6 -11.4 11.7 28.3 58 59 A P - 0 0 13 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.329 49.0 -95.0 -58.8 143.1 -8.9 10.4 25.6 59 60 A R - 0 0 90 -23,-0.5 -21,-2.5 1,-0.1 2,-0.4 -0.298 40.7-116.9 -63.4 145.1 -9.7 6.8 24.8 60 61 A V B -j 38 0B 55 -23,-0.2 2,-0.3 -21,-0.1 -21,-0.2 -0.671 33.6-179.4 -88.0 134.0 -7.6 4.2 26.6 61 62 A I - 0 0 4 -23,-2.5 3,-0.1 -2,-0.4 -24,-0.0 -0.858 21.7-167.6-126.0 162.6 -5.3 1.9 24.8 62 63 A T S S+ 0 0 113 1,-0.3 23,-0.6 -2,-0.3 2,-0.4 0.531 77.6 34.2-123.4 -18.4 -3.0 -0.9 26.0 63 64 A S > - 0 0 27 1,-0.1 4,-0.9 22,-0.1 -1,-0.3 -0.979 55.1-156.5-144.9 127.6 -0.8 -1.6 22.9 64 65 A A T >4>S+ 0 0 0 -2,-0.4 5,-2.1 1,-0.2 3,-0.6 0.912 101.7 50.0 -66.6 -42.1 0.4 0.9 20.2 65 66 A K G >45S+ 0 0 108 1,-0.2 3,-1.7 3,-0.2 -1,-0.2 0.862 103.7 59.2 -64.7 -35.8 0.8 -2.0 17.7 66 67 A A G 345S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.780 103.5 53.0 -63.9 -25.7 -2.8 -3.2 18.4 67 68 A E G <<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.427 120.9-110.7 -88.5 0.1 -4.0 0.3 17.4 68 69 A G T < 5 + 0 0 48 -3,-1.7 2,-0.3 1,-0.3 -66,-0.3 0.703 68.2 148.0 78.9 20.4 -2.1 -0.1 14.1 69 70 A A < + 0 0 4 -5,-2.1 -1,-0.3 1,-0.1 -66,-0.1 -0.709 30.3 178.0 -93.1 140.2 0.4 2.6 15.0 70 71 A E S S+ 0 0 139 -68,-0.4 21,-2.6 -2,-0.3 2,-0.3 0.605 74.2 38.8-107.2 -22.9 4.0 2.5 13.8 71 72 A Q E -bc 3 91A 52 -69,-0.5 -67,-1.5 19,-0.2 2,-0.3 -0.949 64.2-171.7-131.4 149.8 5.0 5.8 15.4 72 73 A V E -bc 4 92A 0 19,-2.3 21,-2.5 -2,-0.3 22,-1.2 -0.953 16.0-146.2-138.4 157.0 4.2 7.5 18.7 73 74 A I E -bc 5 94A 3 -69,-2.8 -67,-1.9 -2,-0.3 2,-0.4 -0.996 20.6-151.1-123.6 123.4 4.8 10.9 20.4 74 75 A L E -bc 6 95A 0 20,-2.5 22,-2.3 -2,-0.5 2,-0.4 -0.796 11.6-172.2 -98.3 136.0 5.3 10.9 24.1 75 76 A T E + c 0 96A 0 -69,-2.1 -67,-0.3 -2,-0.4 22,-0.2 -0.948 67.8 9.4-124.1 148.2 4.4 13.8 26.4 76 77 A D S S+ 0 0 0 20,-2.0 2,-0.3 -2,-0.4 21,-0.2 0.574 122.6 47.0 65.9 11.1 5.1 14.2 30.1 77 78 A H + 0 0 0 19,-0.5 19,-0.2 1,-0.1 24,-0.1 -0.975 40.4 175.8-169.3 162.8 7.5 11.2 30.1 78 79 A N + 0 0 1 -2,-0.3 2,-0.2 22,-0.2 5,-0.1 0.423 51.9 107.3-143.9 -30.2 10.4 9.4 28.4 79 80 A E > - 0 0 4 21,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.368 66.4-136.6 -62.1 125.5 11.4 6.4 30.5 80 81 A F G > S+ 0 0 46 23,-2.6 3,-1.7 1,-0.3 7,-0.2 0.837 99.8 59.7 -52.9 -40.2 10.2 3.2 28.8 81 82 A Q G 3 S+ 0 0 49 1,-0.3 -1,-0.3 22,-0.2 126,-0.2 0.587 105.1 51.3 -69.3 -6.5 8.8 1.6 31.9 82 83 A Q G < S+ 0 0 11 -3,-2.1 -73,-2.6 124,-0.1 -1,-0.3 0.447 105.6 72.6-103.3 -3.6 6.4 4.5 32.3 83 84 A S S < S- 0 0 1 -3,-1.7 -75,-0.1 -4,-0.4 -76,-0.1 -0.056 98.9 -45.0 -99.2-164.1 5.1 4.3 28.8 84 85 A V > - 0 0 2 1,-0.1 3,-1.9 -78,-0.1 -1,-0.2 -0.331 60.0-111.1 -63.7 147.9 2.9 2.0 26.6 85 86 A A T 3 S+ 0 0 91 -23,-0.6 3,-0.3 1,-0.3 -22,-0.1 0.839 115.7 39.8 -49.9 -42.9 3.6 -1.7 27.1 86 87 A D T > S+ 0 0 16 -24,-0.2 3,-2.1 1,-0.2 4,-0.4 -0.044 72.8 129.9-101.6 33.3 5.1 -2.2 23.6 87 88 A I G X S+ 0 0 7 -3,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.808 71.0 58.5 -55.1 -31.7 7.1 1.1 23.5 88 89 A A G 3 S+ 0 0 71 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.659 101.8 56.1 -74.6 -13.2 10.2 -0.8 22.4 89 90 A E G < S+ 0 0 129 -3,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.452 103.8 57.3 -97.6 -3.0 8.3 -2.2 19.4 90 91 A V S < S- 0 0 19 -3,-0.9 2,-0.4 -4,-0.4 -19,-0.2 -0.822 88.8 -99.5-124.4 164.4 7.3 1.1 17.9 91 92 A E E -c 71 0A 73 -21,-2.6 -19,-2.3 -2,-0.3 2,-1.0 -0.690 24.5-137.0 -86.6 134.7 9.2 4.2 16.7 92 93 A V E +c 72 0A 9 -2,-0.4 -19,-0.2 -21,-0.2 19,-0.1 -0.811 24.0 179.7 -90.2 104.5 9.4 7.2 19.0 93 94 A Y E - 0 0 59 -21,-2.5 18,-2.0 -2,-1.0 2,-0.3 0.864 62.2 -13.6 -73.2 -38.9 8.7 10.1 16.6 94 95 A G E -cd 73 111A 4 -22,-1.2 -20,-2.5 16,-0.2 2,-0.3 -0.993 51.9-150.3-161.5 164.1 9.0 12.7 19.3 95 96 A V E -cd 74 112A 3 16,-1.3 18,-2.6 -2,-0.3 2,-0.5 -0.997 4.6-174.1-142.8 134.3 9.0 13.6 23.0 96 97 A V E +cd 75 113A 5 -22,-2.3 -20,-2.0 -2,-0.3 -19,-0.5 -0.990 34.6 140.0-126.8 117.0 7.8 16.7 24.9 97 98 A D E - d 0 114A 0 16,-1.7 18,-1.6 -2,-0.5 22,-0.1 -0.970 49.9-155.5-155.8 168.1 8.7 16.5 28.6 98 99 A H + 0 0 4 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 0.061 68.9 95.7-134.1 20.6 10.0 18.3 31.7 99 100 A H S S- 0 0 26 1,-0.2 322,-0.5 321,-0.1 320,-0.1 -0.552 83.0 -83.5-107.6 173.5 11.4 15.2 33.6 100 101 A R - 0 0 14 318,-0.2 2,-0.5 320,-0.2 -21,-0.2 -0.328 48.2-116.1 -70.5 161.2 14.8 13.7 33.9 101 102 A V + 0 0 0 318,-0.4 316,-2.6 -23,-0.1 2,-0.3 -0.876 50.9 130.4-107.2 133.2 15.9 11.4 31.2 102 103 A A + 0 0 3 -2,-0.5 -22,-0.2 314,-0.2 314,-0.1 -0.957 58.2 26.8-169.2 158.7 16.6 7.7 31.7 103 104 A N S S+ 0 0 53 -2,-0.3 -23,-2.6 -24,-0.2 2,-0.4 0.864 89.6 123.4 47.5 43.7 15.8 4.3 30.3 104 105 A F + 0 0 8 311,-0.3 311,-0.3 -25,-0.2 2,-0.3 -0.994 27.8 151.9-137.5 125.7 15.2 5.9 26.9 105 106 A E - 0 0 115 -2,-0.4 2,-0.3 308,-0.1 308,-0.2 -0.993 19.0-163.1-152.8 153.3 16.9 5.0 23.6 106 107 A T - 0 0 20 306,-2.6 4,-0.1 -2,-0.3 -15,-0.1 -0.936 22.7-144.9-135.5 158.6 16.2 5.1 19.9 107 108 A A S S+ 0 0 32 -2,-0.3 304,-0.2 2,-0.1 509,-0.1 0.750 89.6 38.7 -90.0 -28.2 17.7 3.5 16.8 108 109 A N S S- 0 0 59 1,-0.1 304,-0.4 302,-0.1 501,-0.1 -0.749 95.9 -87.6-121.7 164.2 17.0 6.6 14.8 109 110 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 302,-0.2 -0.227 53.3 174.9 -62.5 162.3 17.1 10.4 15.2 110 111 A L - 0 0 3 300,-0.5 2,-0.4 316,-0.1 -16,-0.2 -0.940 34.1 -86.4-158.5 177.0 13.9 12.0 16.6 111 112 A Y E +d 94 0A 68 -18,-2.0 -16,-1.3 -2,-0.3 2,-0.4 -0.808 42.7 172.9 -95.2 133.7 12.3 15.2 17.8 112 113 A M E +dE 95 425A 4 313,-2.5 313,-2.4 -2,-0.4 2,-0.4 -0.985 14.4 178.7-143.4 131.9 12.7 16.1 21.5 113 114 A R E +dE 96 424A 25 -18,-2.6 -16,-1.7 -2,-0.4 2,-0.4 -0.893 18.3 163.3-133.2 99.2 11.6 19.2 23.3 114 115 A L E +dE 97 423A 1 309,-2.3 309,-2.4 -2,-0.4 -16,-0.2 -0.951 7.7 172.5-119.4 141.3 12.5 19.1 27.0 115 116 A E - 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0 0 50 -2,-0.2 4,-1.7 1,-0.1 3,-1.2 -0.698 28.2-112.6-103.5 153.6 9.6 28.5 36.5 161 162 A P H 3> S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.879 119.3 56.2 -53.0 -36.8 9.4 32.2 35.7 162 163 A T H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.794 103.1 55.2 -66.6 -26.9 8.0 31.3 32.2 163 164 A D H <> S+ 0 0 0 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.911 107.2 48.9 -70.4 -42.3 5.2 29.3 33.9 164 165 A K H < S+ 0 0 125 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 110.4 53.6 -65.3 -30.9 4.2 32.4 35.9 165 166 A A H X S+ 0 0 70 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.923 113.3 39.3 -70.8 -45.2 4.2 34.4 32.8 166 167 A I H X S+ 0 0 8 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.717 96.9 80.4 -80.3 -19.9 1.9 32.2 30.8 167 168 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.921 95.2 43.5 -53.8 -52.2 -0.6 31.3 33.6 168 169 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.874 114.3 52.3 -62.6 -35.5 -2.6 34.6 33.4 169 170 A E H X S+ 0 0 84 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.926 111.6 45.1 -66.1 -44.8 -2.7 34.4 29.6 170 171 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.887 109.8 55.9 -66.6 -38.0 -3.9 30.8 29.6 171 172 A A H X>S+ 0 0 6 -4,-2.5 5,-2.3 -5,-0.3 4,-0.8 0.908 107.5 48.9 -61.5 -41.6 -6.5 31.7 32.3 172 173 A E H ><5S+ 0 0 152 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.928 112.8 46.9 -64.5 -43.7 -8.0 34.4 30.1 173 174 A L H 3<5S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.2 49.7 -66.3 -31.4 -8.1 32.1 27.1 174 175 A A H 3<5S- 0 0 3 -4,-2.3 -1,-0.2 -34,-0.2 -2,-0.2 0.579 111.1-124.6 -82.3 -11.2 -9.8 29.4 29.2 175 176 A G T <<5 + 0 0 51 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.827 67.3 119.4 72.1 33.7 -12.3 31.9 30.6 176 177 A V S - 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