==== 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 13-JUN-06 2HAW . COMPND 2 MOLECULE: MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.P.FABRICHNIY,L.LEHTIO,E.OKSANEN,A.GOLDMAN . 615 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 8.0 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 0.7 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 . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.3 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 5 1 0 2 2 2 0 2 2 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 2 0 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 . 2 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 E 0 0 189 0, 0.0 31,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -55.3 7.3 -27.0 112.9 2 3 A K - 0 0 69 64,-0.1 67,-0.5 29,-0.1 66,-0.5 -0.478 360.0-178.4 -68.5 128.7 6.5 -23.3 112.1 3 4 A I E -ab 33 69A 24 29,-2.6 31,-1.8 -2,-0.2 2,-0.4 -0.939 19.3-139.6-125.4 151.6 3.4 -21.9 113.9 4 5 A L E -ab 34 70A 0 65,-1.1 67,-2.2 -2,-0.3 2,-0.4 -0.907 11.9-161.3-104.9 141.3 1.6 -18.5 113.9 5 6 A I E +ab 35 71A 0 29,-2.3 31,-2.4 -2,-0.4 2,-0.3 -0.985 24.3 150.8-122.6 128.9 0.2 -16.9 117.1 6 7 A F E - b 0 72A 0 65,-1.9 67,-2.3 -2,-0.4 31,-0.1 -0.990 31.0-140.3-153.8 156.8 -2.4 -14.2 116.8 7 8 A G - 0 0 2 29,-0.4 67,-0.2 -2,-0.3 68,-0.1 -0.090 50.4 -44.2-100.3-154.0 -5.3 -12.5 118.6 8 9 A H - 0 0 0 65,-0.2 30,-0.5 66,-0.2 -1,-0.3 -0.174 60.2 -90.6 -76.6 165.8 -8.6 -11.2 117.2 9 10 A Q S S+ 0 0 64 71,-2.4 -1,-0.1 1,-0.2 30,-0.1 -0.361 114.7 36.6 -63.2 157.7 -9.5 -9.0 114.2 10 11 A N S S- 0 0 53 28,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.992 103.4-138.2 50.9 65.4 -9.5 -5.3 115.0 11 12 A P - 0 0 2 0, 0.0 31,-0.4 0, 0.0 2,-0.2 -0.199 22.9-165.3 -62.6 140.6 -6.5 -5.9 117.3 12 13 A D > - 0 0 18 29,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.545 42.3 -86.9-109.2-176.3 -6.1 -4.3 120.8 13 14 A T H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.912 127.5 49.1 -61.6 -42.0 -3.0 -4.1 123.1 14 15 A D H > S+ 0 0 0 130,-0.3 4,-2.9 1,-0.2 5,-0.4 0.938 111.3 50.1 -62.7 -45.4 -3.7 -7.5 124.7 15 16 A T H > S+ 0 0 2 2,-0.2 4,-0.8 1,-0.2 -8,-0.3 0.840 118.6 37.9 -62.2 -35.5 -4.1 -9.2 121.3 16 17 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 121.2 42.6 -79.8 -50.6 -0.9 -7.7 120.0 17 18 A C H X S+ 0 0 1 -4,-3.3 4,-2.8 -5,-0.2 -3,-0.2 0.855 113.2 50.8 -71.0 -35.3 1.2 -8.0 123.1 18 19 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.839 109.6 52.0 -69.2 -33.6 0.0 -11.4 124.2 19 20 A A H X S+ 0 0 0 -4,-0.8 4,-2.2 -5,-0.4 -2,-0.2 0.953 112.8 45.0 -62.2 -50.1 0.8 -12.8 120.7 20 21 A I H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 115.7 47.5 -57.1 -48.5 4.4 -11.3 121.0 21 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.891 112.1 47.1 -66.7 -41.3 4.8 -12.6 124.5 22 23 A Y H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.887 110.6 52.6 -71.0 -33.8 3.6 -16.2 123.9 23 24 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 10,-0.3 0.935 108.2 52.6 -63.3 -40.1 5.8 -16.4 120.8 24 25 A D H X S+ 0 0 22 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.938 110.3 47.3 -58.7 -46.9 8.7 -15.3 122.9 25 26 A L H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.937 113.1 47.2 -62.2 -50.3 8.0 -18.1 125.5 26 27 A K H <>S+ 0 0 30 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.924 115.1 47.7 -52.6 -48.0 7.6 -20.8 122.8 27 28 A N H ><5S+ 0 0 70 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.862 108.7 52.6 -65.6 -36.3 10.8 -19.6 121.1 28 29 A K H 3<5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.3 54.3 -71.8 -23.0 12.8 -19.5 124.4 29 30 A L T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.341 129.8 -95.4 -90.1 2.3 11.6 -23.1 125.0 30 31 A G T < 5S+ 0 0 60 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.556 83.7 122.5 100.5 10.6 13.0 -24.2 121.7 31 32 A F < - 0 0 121 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.216 62.6-113.6 -97.5-170.7 10.0 -24.0 119.4 32 33 A N + 0 0 64 -31,-0.5 -29,-2.6 -2,-0.1 2,-0.3 -0.706 49.2 148.0-132.3 81.3 9.2 -22.1 116.2 33 34 A A E -a 3 0A 6 -2,-0.4 -29,-0.2 -10,-0.3 -31,-0.1 -0.846 26.2-164.8-119.6 146.3 6.5 -19.5 116.6 34 35 A E E -a 4 0A 45 -31,-1.8 -29,-2.3 -2,-0.3 2,-0.3 -0.998 18.7-135.8-126.6 131.1 5.9 -16.1 115.0 35 36 A P E +a 5 0A 29 0, 0.0 23,-0.8 0, 0.0 2,-0.3 -0.667 32.7 173.0 -81.9 137.3 3.5 -13.5 116.4 36 37 A V E -j 58 0B 1 -31,-2.4 -29,-0.4 -2,-0.3 2,-0.3 -0.834 21.1-133.5-133.4 172.1 1.3 -11.8 113.7 37 38 A R E -j 59 0B 47 21,-2.1 23,-2.5 -2,-0.3 -28,-0.1 -0.937 7.2-150.2-130.2 160.0 -1.7 -9.5 113.6 38 39 A L S S+ 0 0 13 -30,-0.5 2,-0.3 -2,-0.3 -28,-0.2 0.418 78.5 6.7-106.9 -0.8 -4.9 -9.4 111.7 39 40 A G S S- 0 0 15 -31,-0.1 21,-0.1 -30,-0.1 2,-0.1 -0.930 96.6 -48.6-165.4-179.1 -5.4 -5.6 111.4 40 41 A Q - 0 0 146 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.353 56.0-111.3 -70.3 145.2 -3.9 -2.2 112.0 41 42 A V - 0 0 23 1,-0.1 -1,-0.1 -31,-0.1 -29,-0.1 -0.561 34.7-130.5 -72.4 132.6 -2.2 -1.4 115.3 42 43 A N > - 0 0 37 -31,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.301 24.2-101.2 -82.1 173.9 -4.2 1.2 117.3 43 44 A G H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 144,-0.2 0.780 120.9 53.3 -69.0 -29.1 -2.7 4.4 118.9 44 45 A E H > S+ 0 0 10 2,-0.2 4,-1.6 142,-0.2 -1,-0.2 0.943 112.9 42.3 -65.8 -51.2 -2.7 2.9 122.3 45 46 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.885 112.2 55.2 -64.7 -38.5 -0.8 -0.2 121.2 46 47 A Q H X S+ 0 0 66 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.928 103.0 55.3 -61.1 -42.5 1.5 1.9 119.1 47 48 A Y H X S+ 0 0 67 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.915 110.3 47.5 -53.0 -45.6 2.4 4.0 122.2 48 49 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.849 110.8 49.0 -64.6 -43.0 3.5 0.8 123.9 49 50 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 -1,-0.2 0.871 114.5 46.2 -66.9 -36.7 5.6 -0.5 121.0 50 51 A D H ><5S+ 0 0 106 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.930 113.2 50.2 -67.1 -46.7 7.3 2.9 120.7 51 52 A Y H 3<5S+ 0 0 110 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.898 117.6 38.4 -59.9 -42.8 7.9 3.0 124.5 52 53 A F T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.207 109.8-119.9 -99.9 19.2 9.3 -0.4 124.7 53 54 A K T < 5 + 0 0 193 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.810 64.2 143.1 52.6 42.1 11.3 -0.2 121.4 54 55 A Q < - 0 0 59 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.879 47.2-125.3-117.0 141.7 9.4 -3.1 119.8 55 56 A E - 0 0 169 -2,-0.3 3,-0.1 1,-0.1 -5,-0.0 -0.445 32.1-101.8 -82.6 159.6 8.3 -3.6 116.2 56 57 A S - 0 0 39 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.628 43.7-101.9 -75.4 139.3 4.7 -4.4 115.2 57 58 A P - 0 0 9 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.159 49.4 -86.3 -54.6 148.6 4.0 -8.1 114.3 58 59 A R E -j 36 0B 93 -23,-0.8 -21,-2.1 1,-0.1 2,-0.4 -0.364 44.2-120.2 -61.0 135.3 3.7 -8.9 110.6 59 60 A L E -j 37 0B 92 -23,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.676 35.9-177.5 -80.9 130.4 0.2 -8.3 109.2 60 61 A V - 0 0 9 -23,-2.5 3,-0.1 -2,-0.4 -24,-0.0 -0.927 28.0-171.3-126.3 152.5 -1.4 -11.5 107.7 61 62 A E S S+ 0 0 143 -2,-0.3 22,-0.7 1,-0.3 23,-0.3 0.632 80.3 19.2-105.0 -29.5 -4.7 -12.2 105.9 62 63 A T - 0 0 44 21,-0.1 -1,-0.3 20,-0.1 23,-0.0 -0.959 50.6-166.4-139.9 157.3 -4.5 -16.0 105.8 63 64 A A S >> S+ 0 0 0 -2,-0.3 4,-2.9 -3,-0.1 3,-1.6 0.682 74.9 74.3-113.5 -26.3 -2.6 -18.7 107.7 64 65 A A T 34 S+ 0 0 33 1,-0.3 21,-0.0 2,-0.2 5,-0.0 0.766 91.2 58.5 -70.7 -27.9 -3.0 -22.0 105.7 65 66 A N T 34 S+ 0 0 113 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.595 119.5 31.9 -69.1 -15.7 -0.6 -20.9 102.9 66 67 A E T <4 S+ 0 0 78 -3,-1.6 2,-0.2 1,-0.3 -2,-0.2 0.789 124.4 11.5-108.4 -49.0 2.1 -20.6 105.6 67 68 A V < - 0 0 8 -4,-2.9 -1,-0.3 1,-0.1 -64,-0.1 -0.798 46.7-141.8-132.3 167.8 1.5 -23.1 108.4 68 69 A N S S+ 0 0 145 -66,-0.5 21,-2.9 -2,-0.2 2,-0.3 0.655 89.1 40.4 -97.3 -27.8 -0.5 -26.2 109.4 69 70 A G E -bc 3 89A 7 -67,-0.5 -65,-1.1 19,-0.2 2,-0.3 -0.947 62.1-175.3-129.9 146.5 -1.1 -25.1 113.0 70 71 A V E -bc 4 90A 0 19,-2.6 21,-2.6 -2,-0.3 22,-0.9 -0.892 17.5-139.8-132.6 162.1 -1.9 -21.9 114.9 71 72 A I E -bc 5 92A 0 -67,-2.2 -65,-1.9 -2,-0.3 2,-0.4 -0.996 18.3-147.9-122.3 130.6 -2.3 -20.7 118.5 72 73 A L E -bc 6 93A 2 20,-2.4 22,-2.5 -2,-0.4 2,-0.4 -0.820 12.9-172.0 -97.4 132.5 -5.1 -18.2 119.4 73 74 A V E + c 0 94A 0 -67,-2.3 22,-0.2 -2,-0.4 -65,-0.2 -0.967 67.3 4.3-115.7 146.3 -4.7 -15.6 122.1 74 75 A D S S+ 0 0 1 20,-2.2 2,-0.3 -2,-0.4 -66,-0.2 0.618 122.9 44.8 66.4 15.6 -7.4 -13.3 123.5 75 76 A H + 0 0 0 19,-0.4 19,-0.2 -68,-0.1 24,-0.1 -0.961 41.6 178.3-171.9 163.5 -10.2 -14.9 121.5 76 77 A N + 0 0 2 -2,-0.3 5,-0.1 22,-0.2 23,-0.1 0.478 48.8 109.7-139.2 -27.5 -11.7 -18.1 120.3 77 78 A E > - 0 0 3 21,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.315 65.1-133.4 -66.6 134.4 -14.9 -17.4 118.2 78 79 A R G > S+ 0 0 92 23,-2.0 3,-1.5 1,-0.3 7,-0.2 0.843 103.1 56.2 -53.2 -41.8 -14.4 -18.2 114.5 79 80 A Q G 3 S+ 0 0 63 1,-0.3 -1,-0.3 22,-0.1 126,-0.2 0.623 107.4 50.2 -73.7 -10.2 -15.9 -14.9 113.2 80 81 A Q G < S+ 0 0 9 -3,-1.8 -71,-2.4 124,-0.1 -1,-0.3 0.435 106.1 73.5 -95.6 -4.1 -13.4 -12.9 115.3 81 82 A S S < S- 0 0 3 -3,-1.5 -73,-0.1 -4,-0.4 -74,-0.1 -0.149 99.0 -49.8-102.4-165.3 -10.4 -14.9 114.0 82 83 A I > - 0 0 2 1,-0.1 3,-1.8 -75,-0.1 -1,-0.2 -0.296 55.1-116.0 -70.7 149.4 -8.4 -15.2 110.8 83 84 A K T 3 S+ 0 0 147 -22,-0.7 3,-0.3 1,-0.3 -21,-0.1 0.825 113.3 43.1 -62.3 -28.3 -10.5 -15.6 107.6 84 85 A D T > S+ 0 0 10 -23,-0.3 3,-2.5 1,-0.2 -1,-0.3 0.066 71.4 129.3-106.2 29.5 -9.2 -19.1 106.8 85 86 A I G X + 0 0 18 -3,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.820 68.3 61.9 -54.3 -29.5 -9.3 -20.4 110.4 86 87 A E G 3 S+ 0 0 162 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.688 97.4 59.1 -70.2 -15.5 -11.2 -23.5 109.2 87 88 A E G < S+ 0 0 142 -3,-2.5 2,-0.3 2,-0.1 -1,-0.3 0.318 103.5 56.2 -98.3 3.4 -8.2 -24.5 107.0 88 89 A V S < S- 0 0 19 -3,-1.4 2,-0.5 -4,-0.2 -19,-0.2 -0.924 84.9-109.0-129.0 161.2 -5.7 -24.8 109.8 89 90 A Q E -c 69 0A 83 -21,-2.9 -19,-2.6 -2,-0.3 2,-0.9 -0.772 23.3-137.5 -89.3 129.2 -5.5 -26.7 113.1 90 91 A V E +c 70 0A 16 -2,-0.5 -19,-0.2 -21,-0.2 3,-0.1 -0.753 24.0 179.0 -82.3 109.5 -5.9 -24.8 116.3 91 92 A L E - 0 0 55 -21,-2.6 18,-1.7 -2,-0.9 2,-0.3 0.823 62.9 -1.0 -80.4 -35.8 -3.2 -26.3 118.6 92 93 A E E -cd 71 109A 29 -22,-0.9 -20,-2.4 16,-0.2 2,-0.4 -0.991 52.6-156.8-152.8 156.9 -3.8 -24.1 121.6 93 94 A V E -cd 72 110A 0 16,-1.9 18,-3.2 -2,-0.3 2,-0.5 -0.990 5.6-175.4-135.9 126.7 -6.0 -21.2 122.9 94 95 A I E +cd 73 111A 0 -22,-2.5 -20,-2.2 -2,-0.4 -19,-0.4 -0.985 35.5 136.1-118.1 119.4 -5.0 -18.9 125.8 95 96 A D E - d 0 112A 0 16,-2.3 18,-1.7 -2,-0.5 22,-0.1 -0.900 53.3-149.5-156.7 173.2 -8.0 -16.6 126.5 96 97 A H + 0 0 1 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 0.062 67.1 97.3-145.2 30.3 -10.3 -14.9 129.0 97 98 A H S S- 0 0 16 1,-0.1 320,-0.5 319,-0.1 318,-0.1 -0.602 81.5 -82.5-111.8 170.0 -13.6 -14.6 127.0 98 99 A R - 0 0 10 318,-0.2 2,-0.5 -2,-0.2 -21,-0.2 -0.347 50.4-116.2 -60.9 154.2 -16.8 -16.6 126.8 99 100 A I + 0 0 0 316,-0.4 314,-2.5 -23,-0.1 2,-0.3 -0.852 51.0 137.0-100.4 131.4 -16.6 -19.6 124.5 100 101 A A + 0 0 0 -2,-0.5 -22,-0.2 312,-0.2 312,-0.1 -0.967 56.5 19.2-163.8 155.9 -18.7 -19.8 121.4 101 102 A N S S+ 0 0 45 -2,-0.3 -23,-2.0 -24,-0.2 2,-0.4 0.849 89.2 124.3 53.8 41.3 -18.5 -20.8 117.7 102 103 A F + 0 0 15 309,-0.3 2,-0.3 -25,-0.2 309,-0.3 -0.982 28.3 159.9-138.4 121.1 -15.4 -22.8 118.4 103 104 A E - 0 0 83 -2,-0.4 2,-0.3 306,-0.1 306,-0.2 -0.998 15.6-164.8-143.5 144.8 -14.9 -26.5 117.5 104 105 A T - 0 0 14 304,-2.5 4,-0.1 -2,-0.3 -15,-0.1 -0.922 21.2-143.8-123.5 152.2 -11.9 -28.8 117.1 105 106 A A S S+ 0 0 34 -2,-0.3 302,-0.2 302,-0.1 507,-0.1 0.744 87.7 32.0 -76.3 -28.1 -11.6 -32.2 115.5 106 107 A E S S- 0 0 83 300,-0.1 302,-0.4 1,-0.1 499,-0.1 -0.827 98.1 -81.9-127.6 160.5 -8.9 -33.3 118.1 107 108 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 300,-0.2 -0.235 54.3 177.2 -55.8 152.2 -8.0 -32.7 121.7 108 109 A L - 0 0 5 298,-0.5 2,-0.9 -4,-0.1 -16,-0.2 -0.925 39.9 -90.3-148.6 174.3 -6.0 -29.5 122.3 109 110 A Y E +d 92 0A 47 -18,-1.7 -16,-1.9 -2,-0.3 2,-0.5 -0.849 48.1 175.9 -90.1 107.0 -4.5 -27.3 125.0 110 111 A Y E +dE 93 421A 1 311,-1.8 311,-2.7 -2,-0.9 2,-0.5 -0.974 4.4 177.3-118.7 120.0 -7.3 -24.8 125.9 111 112 A R E +dE 94 420A 16 -18,-3.2 -16,-2.3 -2,-0.5 2,-0.4 -0.888 8.3 160.1-129.2 98.5 -6.6 -22.5 128.7 112 113 A A E +dE 95 419A 0 307,-2.7 307,-1.9 -2,-0.5 -16,-0.2 -0.967 9.8 179.3-115.6 135.1 -9.2 -19.9 129.6 113 114 A E - 0 0 5 -18,-1.7 2,-2.2 -2,-0.4 305,-0.2 -0.993 35.7-123.0-130.8 139.8 -9.3 -18.1 133.0 114 115 A P + 0 0 68 0, 0.0 2,-0.2 0, 0.0 -18,-0.1 -0.355 68.8 128.5 -82.1 58.0 -11.9 -15.4 133.9 115 116 A V S S- 0 0 5 -2,-2.2 42,-0.1 302,-0.1 -2,-0.1 -0.483 73.4 -99.0-105.2 178.2 -9.2 -12.8 134.7 116 117 A G S S+ 0 0 1 -2,-0.2 2,-0.3 1,-0.2 41,-0.1 0.680 97.1 16.3 -76.8 -16.7 -8.8 -9.3 133.5 117 118 A C >> - 0 0 0 39,-0.1 3,-0.9 1,-0.1 4,-0.8 -0.988 61.7-129.5-159.1 138.5 -6.2 -9.9 130.7 118 119 A T H >> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 3,-0.9 0.874 109.4 63.1 -56.0 -37.9 -4.7 -12.7 128.6 119 120 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.805 92.3 63.7 -62.6 -27.6 -1.2 -11.5 129.6 120 121 A T H <> S+ 0 0 3 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.892 105.4 45.5 -60.2 -38.0 -2.0 -12.3 133.2 121 122 A I H S+ 0 0 2 -4,-2.3 5,-2.5 2,-0.2 4,-0.4 0.928 112.5 46.0 -60.9 -42.3 6.5 -18.0 132.0 127 128 A K H ><5S+ 0 0 114 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.912 108.4 55.0 -67.5 -40.9 6.8 -19.0 135.7 128 129 A E H 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 115.5 40.0 -59.1 -31.5 5.5 -22.5 135.2 129 130 A N T 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.359 110.3-121.0-101.3 1.1 8.2 -23.1 132.6 130 131 A N T < 5 + 0 0 146 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.898 58.8 150.2 59.3 45.1 11.0 -21.2 134.4 131 132 A V < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.948 45.5-125.1-112.9 126.6 11.6 -18.7 131.7 132 133 A K - 0 0 145 -2,-0.5 2,-0.6 1,-0.1 -5,-0.0 -0.423 20.0-131.3 -64.7 135.9 12.8 -15.1 132.4 133 134 A I - 0 0 23 -2,-0.1 -1,-0.1 4,-0.0 -112,-0.0 -0.851 23.9-129.3 -91.0 122.1 10.7 -12.3 131.1 134 135 A E > - 0 0 90 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.347 21.3-110.8 -70.5 151.7 12.9 -9.8 129.3 135 136 A K H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.855 117.3 46.1 -46.5 -49.1 12.5 -6.1 130.2 136 137 A E H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.876 113.6 49.3 -66.2 -39.9 10.9 -5.0 126.9 137 138 A I H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 107.4 54.7 -68.7 -40.0 8.5 -8.0 127.0 138 139 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.881 106.1 53.7 -59.4 -37.8 7.4 -7.3 130.6 139 140 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.877 108.4 48.3 -65.3 -36.3 6.5 -3.8 129.5 140 141 A L H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.901 112.3 48.6 -69.0 -42.1 4.3 -5.1 126.7 141 142 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.925 112.0 49.6 -62.5 -44.1 2.6 -7.5 129.1 142 143 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.906 108.4 53.5 -56.8 -47.5 2.1 -4.7 131.6 143 144 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 106.8 52.3 -54.5 -43.2 0.6 -2.5 128.7 144 145 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -131,-0.2 -130,-0.3 0.934 110.9 47.3 -60.2 -45.2 -1.9 -5.3 128.0 145 146 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 7,-0.3 0.936 112.8 47.2 -65.8 -44.1 -3.0 -5.4 131.6 146 147 A I H X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 4,-0.8 0.910 114.3 50.3 -62.1 -39.2 -3.4 -1.7 132.0 147 148 A S H ><5S+ 0 0 13 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.941 113.4 41.0 -63.5 -52.7 -5.3 -1.6 128.7 148 149 A D H 3<5S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 8,-0.2 0.755 121.8 43.1 -68.4 -27.5 -7.8 -4.4 129.4 149 150 A S H 3X>S- 0 0 1 -4,-1.8 5,-2.8 -5,-0.3 4,-1.9 0.485 102.7-126.8 -98.2 -1.3 -8.3 -3.1 133.0 150 151 A L T <<5S- 0 0 14 -4,-0.8 3,-0.3 -3,-0.6 -3,-0.2 0.934 82.9 -41.8 47.6 54.2 -8.5 0.6 132.2 151 152 A L T 4 - 0 0 41 -2,-0.3 4,-2.0 1,-0.0 3,-0.4 -0.671 42.9 -97.9-114.4 173.9 -8.9 -9.3 139.6 159 160 A D H > S+ 0 0 144 1,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.815 124.0 57.6 -59.2 -33.3 -6.2 -9.6 142.3 160 161 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 105.3 49.9 -64.6 -37.9 -4.2 -11.7 139.9 161 162 A D H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.918 111.8 47.6 -66.1 -43.8 -4.2 -9.0 137.3 162 163 A V H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.928 113.4 48.0 -63.9 -44.6 -3.0 -6.4 139.9 163 164 A A H X S+ 0 0 45 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.911 111.4 49.9 -62.1 -45.3 -0.3 -8.8 141.2 164 165 A A H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.938 110.1 50.9 -55.5 -49.4 0.9 -9.5 137.6 165 166 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.863 107.6 53.3 -59.3 -38.2 1.1 -5.8 136.8 166 167 A K H X S+ 0 0 154 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.920 112.7 43.2 -65.8 -42.8 3.1 -5.1 139.9 167 168 A E H X S+ 0 0 70 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 116.2 47.5 -66.1 -46.6 5.7 -7.8 139.0 168 169 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.860 108.0 54.5 -67.2 -35.3 5.9 -6.8 135.4 169 170 A A H X>S+ 0 0 10 -4,-2.6 5,-1.8 -5,-0.2 4,-1.0 0.831 109.1 50.0 -66.5 -32.7 6.2 -3.0 136.1 170 171 A E H <5S+ 0 0 156 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 112.9 44.6 -69.5 -44.5 9.2 -3.8 138.3 171 172 A I H <5S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.944 115.8 48.3 -63.0 -44.9 10.8 -5.9 135.5 172 173 A A H <5S- 0 0 2 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.675 106.5-130.0 -69.0 -22.4 10.0 -3.2 132.9 173 174 A G T <5 + 0 0 63 -4,-1.0 2,-0.3 1,-0.3 -3,-0.2 0.774 63.8 120.8 76.8 27.9 11.4 -0.5 135.2 174 175 A V S - 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