==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JUL-05 2AH5 . COMPND 2 MOLECULE: COG0546: PREDICTED PHOSPHATASES; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR T.A.BINKOWSKI,M.ZHOU,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MCSG, . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 1.0 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 . 1 0.5 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 2 2 0 0 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 . 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 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 X > 0 0 79 0, 0.0 3,-2.2 0, 0.0 208,-0.1 0.000 360.0 360.0 360.0 -48.5 25.4 22.8 4.4 2 2 A T T 3 + 0 0 134 1,-0.3 207,-0.0 3,-0.0 154,-0.0 0.759 360.0 49.1 -59.1 -31.7 24.2 19.2 4.5 3 3 A S T 3 S+ 0 0 62 152,-0.1 -1,-0.3 154,-0.0 2,-0.2 0.681 87.8 105.0 -80.6 -12.9 25.1 18.4 8.1 4 4 A I < + 0 0 7 -3,-2.2 153,-0.2 1,-0.2 152,-0.2 -0.495 32.4 159.9 -68.8 128.6 23.3 21.6 9.3 5 5 A T + 0 0 57 151,-2.9 2,-0.3 1,-0.2 152,-0.2 0.402 63.1 42.7-120.4 -6.1 20.0 20.8 10.9 6 6 A A E -a 157 0A 0 150,-1.8 152,-0.8 94,-0.1 2,-0.5 -0.997 65.1-148.7-147.4 141.4 19.5 24.0 12.9 7 7 A I E -ab 158 102A 0 94,-1.9 96,-2.5 -2,-0.3 2,-0.4 -0.966 8.9-161.2-120.8 124.8 19.9 27.7 12.2 8 8 A F E -ab 159 103A 0 150,-3.2 152,-2.8 -2,-0.5 2,-0.4 -0.871 8.6-162.0-103.3 140.9 20.9 30.4 14.8 9 9 A F E -ab 160 104A 1 94,-2.7 96,-2.7 -2,-0.4 152,-0.2 -0.955 17.5-135.5-123.4 136.0 20.4 34.1 14.3 10 10 A D - 0 0 10 150,-2.5 5,-0.5 -2,-0.4 96,-0.2 -0.470 23.2-150.0 -68.6 161.7 21.8 37.2 16.0 11 11 A L S >>>S+ 0 0 0 1,-0.2 5,-2.4 3,-0.2 3,-1.6 0.841 70.7 53.5-103.1 -80.2 19.0 39.7 16.7 12 12 A D B 345S+f 16 0B 25 1,-0.2 150,-0.3 3,-0.2 5,-0.2 -0.351 122.1 11.6 -58.1 134.4 20.1 43.3 16.6 13 13 A G T 345S+ 0 0 0 3,-2.7 171,-0.3 1,-0.2 -1,-0.2 0.371 131.9 51.3 79.6 -5.3 22.0 44.2 13.4 14 14 A T T <45S+ 0 0 0 -3,-1.6 -2,-0.2 2,-0.3 -3,-0.2 0.615 128.0 5.9-123.6 -67.0 20.9 41.0 11.7 15 15 A L T <5S+ 0 0 1 -4,-1.6 71,-1.9 -5,-0.5 2,-0.5 0.854 130.0 49.8 -82.1 -37.9 17.1 40.4 11.9 16 16 A V E < -fG 12 85B 0 -5,-2.4 -3,-2.7 69,-0.2 2,-1.5 -0.897 64.9-148.4-120.3 122.2 16.4 43.8 13.5 17 17 A D E + G 0 84B 38 67,-3.1 67,-1.3 -2,-0.5 3,-0.3 -0.689 36.1 158.0 -80.1 86.5 17.4 47.3 12.5 18 18 A S > + 0 0 0 -2,-1.5 4,-2.1 65,-0.2 5,-0.2 0.257 33.1 113.6 -92.1 7.9 17.5 48.5 16.1 19 19 A S H > + 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.836 68.8 53.6 -58.9 -41.7 19.8 51.4 15.3 20 20 A I H > S+ 0 0 93 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.949 113.9 42.2 -58.8 -49.5 17.5 54.4 15.9 21 21 A G H > S+ 0 0 0 61,-2.5 4,-2.0 58,-0.2 -1,-0.2 0.851 116.0 48.2 -66.4 -36.7 16.6 53.2 19.5 22 22 A I H X S+ 0 0 11 -4,-2.1 4,-2.4 60,-0.3 -2,-0.2 0.959 113.6 47.9 -66.6 -48.4 20.3 52.2 20.3 23 23 A H H X S+ 0 0 54 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.922 113.1 48.6 -55.1 -49.9 21.5 55.6 19.0 24 24 A N H X S+ 0 0 43 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.854 108.1 53.6 -61.6 -39.3 18.8 57.4 21.0 25 25 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.929 111.3 46.9 -61.0 -43.9 19.6 55.5 24.2 26 26 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.951 114.4 45.3 -61.2 -47.0 23.3 56.6 23.8 27 27 A T H X S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.843 109.8 55.1 -71.1 -34.1 22.5 60.2 23.1 28 28 A Y H X S+ 0 0 77 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.908 109.0 50.2 -57.8 -43.1 20.0 60.3 25.9 29 29 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.946 111.0 45.9 -62.9 -50.2 22.8 59.1 28.2 30 30 A F H X>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 4,-0.9 0.881 111.4 53.7 -61.2 -39.9 25.3 61.7 27.1 31 31 A K H ><5S+ 0 0 156 -4,-2.5 3,-0.6 3,-0.2 -1,-0.2 0.936 111.6 45.6 -56.0 -47.1 22.6 64.5 27.4 32 32 A E H 3<5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.7 48.1 -68.3 -34.9 21.9 63.4 31.0 33 33 A L H 3<5S- 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.579 111.5-123.8 -79.9 -11.2 25.6 63.2 31.8 34 34 A G T <<5 + 0 0 67 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.855 67.3 127.1 72.4 38.0 26.1 66.6 30.3 35 35 A V < - 0 0 47 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.916 67.3 -93.8-125.0 147.5 28.8 65.5 27.8 36 36 A P - 0 0 123 0, 0.0 -5,-0.0 0, 0.0 -3,-0.0 -0.342 42.1-118.4 -61.3 141.3 28.9 65.9 24.0 37 37 A S - 0 0 57 1,-0.1 3,-0.1 -10,-0.0 -10,-0.1 -0.622 25.9-118.3 -73.1 137.5 27.6 63.0 22.0 38 38 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.253 43.7 -86.7 -59.8 163.4 30.0 61.2 19.7 39 39 A D > - 0 0 100 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.171 39.9 -98.7 -73.4 169.6 29.1 61.3 16.0 40 40 A A H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.856 122.5 53.1 -58.8 -39.1 26.8 58.8 14.2 41 41 A K H > S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.960 109.8 48.4 -62.0 -49.5 29.8 56.7 12.9 42 42 A T H > S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.923 112.4 48.4 -53.7 -48.7 31.2 56.3 16.4 43 43 A I H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.864 104.9 58.9 -65.6 -33.7 27.8 55.3 17.8 44 44 A R H >< S+ 0 0 122 -4,-2.4 3,-1.6 1,-0.3 -1,-0.3 0.880 100.6 58.2 -55.1 -37.4 27.4 52.8 15.0 45 45 A G H 3< S+ 0 0 51 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.680 96.6 62.0 -68.4 -21.4 30.6 51.3 16.3 46 46 A F T << S+ 0 0 20 -3,-1.1 2,-1.1 -4,-0.6 -1,-0.3 0.416 78.3 98.5 -81.5 -1.8 28.8 50.8 19.7 47 47 A X S < S+ 0 0 14 -3,-1.6 -1,-0.1 -4,-0.2 -28,-0.0 -0.733 94.4 14.5 -91.3 94.7 26.2 48.4 18.1 48 48 A G S S+ 0 0 32 -2,-1.1 -1,-0.2 1,-0.6 -2,-0.1 -0.291 101.6 92.1 136.0 -58.1 27.6 45.0 19.0 49 49 A P S S- 0 0 38 0, 0.0 -1,-0.6 0, 0.0 5,-0.0 -0.261 92.3 -80.1 -64.8 159.9 30.3 45.5 21.7 50 50 A P > - 0 0 65 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.320 39.2-122.0 -57.5 144.0 29.3 45.3 25.4 51 51 A L H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 111.7 53.5 -52.6 -47.8 27.7 48.5 26.7 52 52 A E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 107.5 52.2 -58.9 -39.4 30.3 48.9 29.4 53 53 A S H > S+ 0 0 65 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.905 109.9 47.9 -64.3 -44.8 33.1 48.6 26.8 54 54 A S H >< S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.943 112.0 48.2 -59.8 -51.7 31.6 51.3 24.6 55 55 A F H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 3,-1.3 0.829 102.9 64.0 -61.1 -32.9 31.0 53.8 27.5 56 56 A A H 3< S+ 0 0 61 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.844 93.9 62.9 -58.7 -30.3 34.6 53.1 28.6 57 57 A T T << S+ 0 0 100 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.753 121.6 16.7 -65.5 -21.2 35.8 54.7 25.3 58 58 A C T <4 S+ 0 0 55 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.413 116.0 60.8-136.3 -0.9 34.3 58.1 26.1 59 59 A L S < S- 0 0 20 -4,-1.8 2,-0.1 -5,-0.1 5,-0.1 -0.916 84.6 -94.0-128.3 157.7 33.5 58.4 29.9 60 60 A S > - 0 0 72 -2,-0.3 3,-2.4 1,-0.1 4,-0.5 -0.458 38.9-117.2 -66.8 144.2 35.5 58.2 33.1 61 61 A K G > S+ 0 0 188 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.840 114.1 60.6 -51.8 -40.8 35.6 54.7 34.6 62 62 A D G 3 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.620 105.5 50.0 -62.7 -15.2 33.8 56.0 37.7 63 63 A Q G <> S+ 0 0 54 -3,-2.4 4,-2.6 2,-0.1 -1,-0.2 0.504 83.3 90.1-101.6 -4.9 30.8 57.0 35.5 64 64 A I H <> S+ 0 0 19 -3,-1.3 4,-3.0 -4,-0.5 5,-0.2 0.902 86.4 49.7 -61.3 -48.1 30.3 53.7 33.5 65 65 A S H > S+ 0 0 95 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 113.3 46.7 -58.8 -45.1 27.8 52.1 35.9 66 66 A E H > S+ 0 0 93 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.922 112.3 51.3 -61.5 -46.7 25.7 55.3 36.0 67 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.927 109.8 49.2 -55.5 -48.8 25.9 55.5 32.2 68 68 A V H X S+ 0 0 16 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.917 111.5 50.0 -59.2 -44.5 24.7 51.9 31.8 69 69 A Q H X S+ 0 0 144 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.935 113.0 45.1 -57.3 -48.4 21.8 52.5 34.2 70 70 A I H X S+ 0 0 24 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.936 111.0 54.0 -64.9 -47.6 20.7 55.6 32.4 71 71 A Y H >X S+ 0 0 15 -4,-2.8 4,-2.9 1,-0.2 3,-0.6 0.922 109.0 47.8 -49.6 -50.0 21.0 53.9 28.9 72 72 A R H 3X S+ 0 0 104 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.851 104.7 61.9 -65.5 -31.0 18.8 51.0 30.0 73 73 A S H 3X S+ 0 0 66 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.784 112.3 36.3 -62.6 -34.3 16.3 53.6 31.4 74 74 A Y H S+ 0 0 26 -4,-1.5 4,-2.6 -3,-0.6 5,-1.8 0.887 117.9 52.4 -79.2 -44.6 15.8 55.0 27.9 75 75 A Y H <>S+ 0 0 5 -4,-2.9 5,-2.8 3,-0.2 6,-0.2 0.902 108.4 46.3 -64.8 -46.5 16.1 51.6 26.1 76 76 A K H <5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.1 0.894 123.6 33.7 -61.9 -41.2 13.5 49.6 28.1 77 77 A A H <5S- 0 0 70 -4,-0.5 -2,-0.2 -5,-0.3 -1,-0.2 0.751 143.0 -4.6 -86.6 -27.1 10.9 52.3 27.9 78 78 A K T >X5S+ 0 0 107 -4,-2.6 3,-1.1 -57,-0.1 4,-0.5 0.651 118.6 62.8-136.8 -50.4 11.6 53.8 24.5 79 79 A G G >4 - 0 0 20 -71,-1.9 3,-1.5 -72,-0.1 4,-0.3 -0.393 53.4 -77.9 -66.1 156.6 15.5 44.9 7.9 87 87 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.267 115.1 10.9 -56.7 145.7 14.0 44.6 4.4 88 88 A Q T 3> S+ 0 0 108 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 0.478 88.3 121.6 67.6 3.3 13.1 41.0 3.2 89 89 A I H <> S+ 0 0 1 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.933 73.1 51.3 -64.9 -43.9 13.7 39.5 6.7 90 90 A I H > S+ 0 0 62 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.939 110.8 50.3 -55.2 -47.6 10.1 38.1 6.9 91 91 A D H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.1 48.3 -54.0 -48.6 10.7 36.5 3.5 92 92 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.921 114.0 46.1 -61.2 -47.7 14.0 34.9 4.7 93 93 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.925 110.7 51.1 -62.8 -47.0 12.4 33.6 7.9 94 94 A E H X S+ 0 0 96 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.934 115.2 45.4 -54.4 -45.4 9.3 32.1 6.2 95 95 A E H < S+ 0 0 100 -4,-2.3 3,-0.4 -5,-0.2 4,-0.3 0.955 118.3 38.9 -67.2 -50.2 11.5 30.4 3.7 96 96 A L H >X S+ 0 0 5 -4,-2.8 3,-2.3 1,-0.2 4,-1.9 0.922 111.0 58.6 -68.0 -41.8 14.1 29.0 6.2 97 97 A S H 3< S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 96.9 63.1 -61.9 -25.1 11.5 28.1 8.9 98 98 A S T 3< S+ 0 0 90 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.615 118.7 25.2 -73.7 -10.8 9.7 25.8 6.5 99 99 A S T <4 S+ 0 0 87 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.517 125.4 34.2-125.2 -15.1 12.9 23.6 6.3 100 100 A Y S < S- 0 0 38 -4,-1.9 2,-0.3 -93,-0.0 -1,-0.3 -0.996 75.5-111.5-142.8 148.7 14.7 24.2 9.6 101 101 A P - 0 0 42 0, 0.0 -94,-1.9 0, 0.0 2,-0.3 -0.649 42.8-150.8 -71.6 135.1 14.1 24.9 13.3 102 102 A L E -b 7 0A 1 23,-0.4 25,-3.4 -2,-0.3 26,-0.7 -0.901 15.0-173.6-113.5 145.0 15.3 28.4 13.9 103 103 A Y E -bc 8 128A 14 -96,-2.5 -94,-2.7 -2,-0.3 2,-0.5 -0.975 21.7-131.8-134.7 144.2 16.8 29.9 17.1 104 104 A I E -bc 9 129A 0 24,-2.1 26,-2.8 -2,-0.3 2,-0.4 -0.882 20.8-176.7 -91.8 135.4 17.8 33.3 18.3 105 105 A T E + c 0 130A 0 -96,-2.7 2,-0.3 -2,-0.5 26,-0.2 -0.929 23.1 150.3-129.0 100.3 21.2 33.5 20.0 106 106 A T E - 0 0 2 24,-2.6 4,-0.1 -2,-0.4 -96,-0.1 -0.871 53.6-135.0-130.5 160.4 21.9 37.1 21.2 107 107 A T E S+ 0 0 53 -2,-0.3 2,-0.1 24,-0.2 24,-0.1 0.401 79.0 105.8 -99.4 2.9 23.8 38.8 24.0 108 108 A K E S- 0 0 33 22,-0.1 24,-2.2 1,-0.1 -2,-0.2 -0.496 95.4 -85.1 -59.1 147.3 20.7 41.0 24.6 109 109 A D E > - c 0 132A 68 22,-0.3 4,-2.6 -2,-0.1 5,-0.2 -0.336 39.8-116.5 -55.7 142.8 19.0 39.8 27.8 110 110 A T H > S+ 0 0 45 22,-1.3 4,-2.7 1,-0.2 5,-0.2 0.901 113.6 48.5 -48.6 -49.9 16.7 36.9 27.1 111 111 A S H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 111.4 49.3 -65.5 -38.9 13.6 38.8 28.2 112 112 A T H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 112.5 48.9 -61.7 -45.0 14.4 41.9 26.1 113 113 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.911 111.7 48.9 -62.0 -43.2 15.1 39.7 23.0 114 114 A Q H X S+ 0 0 72 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.939 112.3 48.6 -62.0 -44.7 11.8 37.9 23.6 115 115 A D H X S+ 0 0 81 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.914 112.9 47.3 -59.8 -49.5 10.0 41.2 23.9 116 116 A X H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 6,-0.2 0.943 111.2 50.2 -59.8 -49.8 11.6 42.6 20.7 117 117 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 6,-1.3 0.921 113.9 45.7 -57.3 -43.6 10.8 39.5 18.6 118 118 A K H ><5S+ 0 0 148 -4,-2.3 3,-1.2 4,-0.2 -2,-0.2 0.933 111.5 52.7 -63.8 -44.4 7.2 39.6 19.8 119 119 A N H 3<5S+ 0 0 75 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 112.3 44.0 -55.9 -38.9 6.9 43.4 19.1 120 120 A L T 3<5S- 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.350 114.5-116.4 -96.2 7.2 8.2 43.0 15.5 121 121 A E T < 5S+ 0 0 147 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.717 88.7 104.5 69.4 29.5 6.0 39.9 14.8 122 122 A I > < + 0 0 0 -5,-2.4 3,-1.9 -6,-0.2 4,-0.3 0.481 44.6 95.7-115.9 -5.5 8.9 37.4 14.3 123 123 A H G > S+ 0 0 48 -6,-1.3 3,-1.8 1,-0.3 -5,-0.1 0.875 78.7 63.1 -53.6 -39.2 8.8 35.5 17.7 124 124 A H G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.642 90.1 65.0 -69.1 -13.3 6.6 32.9 16.0 125 125 A F G < S+ 0 0 21 -3,-1.9 -23,-0.4 -24,-0.0 2,-0.4 0.547 92.4 82.3 -80.6 -10.9 9.3 31.8 13.5 126 126 A F < - 0 0 18 -3,-1.8 -23,-0.2 -4,-0.3 3,-0.1 -0.802 57.9-160.9-106.6 142.8 11.6 30.5 16.3 127 127 A D S S+ 0 0 106 -25,-3.4 2,-0.3 -2,-0.4 -24,-0.2 0.511 87.5 5.3 -89.3 -5.8 11.8 27.3 18.3 128 128 A G E -c 103 0A 13 -26,-0.7 -24,-2.1 -5,-0.1 2,-0.4 -0.917 57.3-152.9-171.2 147.5 13.9 29.1 21.0 129 129 A I E -c 104 0A 11 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.981 19.3-176.4-131.1 119.2 15.1 32.5 21.9 130 130 A Y E +c 105 0A 32 -26,-2.8 -24,-2.6 -2,-0.4 2,-0.2 -0.968 9.3 161.6-121.9 122.8 18.3 32.6 24.0 131 131 A G E - 0 0 0 -2,-0.5 -22,-0.3 -26,-0.2 -24,-0.2 -0.570 47.6 -51.0-125.8-167.6 19.9 35.8 25.3 132 132 A S E +c 109 0A 21 -24,-2.2 -22,-1.3 -2,-0.2 -1,-0.1 -0.384 64.1 141.9 -74.9 153.0 22.4 36.8 28.0 133 133 A S - 0 0 40 3,-1.2 3,-0.1 -24,-0.1 9,-0.0 -0.881 68.3 -80.0-170.3 175.7 22.0 35.5 31.6 134 134 A P S S+ 0 0 133 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.892 132.6 52.1 -63.5 -38.0 24.2 34.2 34.5 135 135 A E S S+ 0 0 130 1,-0.2 -3,-0.1 2,-0.1 10,-0.0 0.777 125.5 25.2 -60.4 -29.6 24.3 30.8 32.6 136 136 A A + 0 0 0 1,-0.1 -3,-1.2 -5,-0.1 -1,-0.2 -0.678 60.9 161.5-145.3 82.5 25.4 32.6 29.4 137 137 A P + 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.847 68.7 33.0 -74.2 -31.9 27.3 36.0 29.7 138 138 A H S > S- 0 0 122 -7,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.718 93.5 -91.8-123.3 174.3 28.8 36.1 26.2 139 139 A K H > S+ 0 0 11 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.871 121.4 52.1 -53.9 -46.4 28.1 34.9 22.7 140 140 A A H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 109.3 50.2 -57.9 -43.0 29.8 31.5 23.0 141 141 A D H > S+ 0 0 56 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.905 110.4 49.9 -62.6 -40.2 27.9 30.7 26.2 142 142 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 111.7 48.1 -63.7 -45.4 24.6 31.5 24.6 143 143 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.937 110.7 51.9 -61.5 -48.2 25.4 29.3 21.6 144 144 A H H X S+ 0 0 74 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.911 109.9 49.6 -51.2 -47.8 26.4 26.5 24.0 145 145 A Q H X S+ 0 0 33 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.930 111.3 48.3 -59.9 -48.3 23.1 26.8 25.7 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.934 115.1 45.5 -55.7 -48.8 21.2 26.7 22.4 147 147 A L H <>S+ 0 0 6 -4,-2.9 5,-2.8 2,-0.2 -2,-0.2 0.955 116.6 43.1 -63.2 -52.3 23.1 23.6 21.2 148 148 A Q H ><5S+ 0 0 140 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.921 111.5 53.0 -62.2 -45.2 22.9 21.7 24.5 149 149 A T H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.844 116.2 41.0 -60.9 -31.4 19.2 22.5 25.2 150 150 A H T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.239 112.4-117.7-104.3 11.0 18.3 21.2 21.7 151 151 A Q T < 5 + 0 0 182 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.892 61.2 152.9 58.1 46.5 20.6 18.2 21.8 152 152 A L < - 0 0 26 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 43.8-136.2-109.3 137.9 22.7 19.5 18.9 153 153 A A > - 0 0 41 -2,-0.4 3,-2.1 1,-0.1 4,-0.2 -0.611 33.7-113.3 -79.0 147.8 26.3 18.8 18.0 154 154 A P G > S+ 0 0 37 0, 0.0 3,-2.0 0, 0.0 22,-0.5 0.848 115.1 65.9 -56.2 -32.2 28.1 22.0 16.9 155 155 A E G 3 S+ 0 0 118 1,-0.3 -152,-0.1 20,-0.2 21,-0.1 0.723 95.9 58.6 -59.9 -22.3 28.5 20.5 13.4 156 156 A Q G < S+ 0 0 59 -3,-2.1 -151,-2.9 -152,-0.2 -150,-1.8 0.419 99.7 68.8 -90.0 -1.8 24.7 20.6 13.0 157 157 A A E < -a 6 0A 0 -3,-2.0 19,-2.2 -4,-0.2 2,-0.3 -0.820 51.9-172.7-119.6 160.7 24.4 24.4 13.6 158 158 A I E -ad 7 176A 0 -152,-0.8 -150,-3.2 -2,-0.3 2,-0.5 -0.981 17.1-140.9-142.1 143.6 25.3 27.7 11.8 159 159 A I E -ad 8 177A 0 17,-2.1 19,-3.1 -2,-0.3 2,-0.6 -0.936 4.8-153.0-107.3 134.1 25.0 31.2 13.1 160 160 A I E +ad 9 178A 0 -152,-2.8 -150,-2.5 -2,-0.5 2,-0.3 -0.944 39.0 151.0-101.3 115.2 23.8 34.0 10.8 161 161 A G E - d 0 179A 0 17,-2.3 19,-2.1 -2,-0.6 -148,-0.1 -0.973 50.4-145.3-152.8 162.3 25.4 37.2 12.2 162 162 A D S S+ 0 0 2 -2,-0.3 23,-0.5 -150,-0.3 2,-0.3 0.387 73.2 65.1-110.2 -0.9 26.7 40.7 11.6 163 163 A T S >> S- 0 0 9 22,-0.1 4,-1.9 21,-0.1 3,-0.6 -0.851 79.6-114.5-128.3 163.6 29.6 41.1 14.1 164 164 A K H 3> S+ 0 0 87 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.809 116.3 61.9 -57.7 -32.2 33.1 39.9 15.1 165 165 A F H 3> S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 104.4 46.6 -64.5 -37.6 31.4 38.6 18.3 166 166 A D H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.895 113.7 48.8 -66.5 -42.7 29.2 36.3 16.3 167 167 A X H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.932 114.8 43.4 -66.9 -44.9 32.2 35.1 14.2 168 168 A L H X S+ 0 0 59 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.888 111.0 55.9 -68.0 -40.1 34.3 34.4 17.3 169 169 A G H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 6,-0.2 0.907 108.4 48.6 -53.9 -44.2 31.4 32.8 19.1 170 170 A A H X>S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 5,-1.2 0.899 112.0 48.0 -63.9 -40.7 31.0 30.4 16.2 171 171 A R H <5S+ 0 0 194 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.929 110.9 50.9 -70.1 -43.8 34.7 29.6 16.2 172 172 A E H <5S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 118.5 37.2 -58.6 -32.7 34.8 29.0 20.0 173 173 A T H <5S- 0 0 10 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.550 108.0-118.4-102.4 -10.3 31.8 26.6 19.9 174 174 A G T <5 + 0 0 43 -4,-1.3 -3,-0.2 -3,-0.3 2,-0.2 0.622 67.3 131.8 81.7 13.5 32.6 24.8 16.6 175 175 A I < - 0 0 8 -5,-1.2 -1,-0.3 -6,-0.2 -17,-0.2 -0.557 63.1 -97.0 -92.1 164.5 29.5 25.9 14.7 176 176 A Q E -d 158 0A 38 -19,-2.2 -17,-2.1 -22,-0.5 2,-0.4 -0.342 35.4-139.7 -75.2 163.5 29.5 27.3 11.1 177 177 A K E -d 159 0A 26 -19,-0.2 19,-2.8 17,-0.2 20,-0.9 -0.995 13.9-169.5-132.9 127.7 29.4 31.1 10.6 178 178 A L E -de 160 197A 0 -19,-3.1 -17,-2.3 -2,-0.4 2,-0.3 -0.968 18.5-148.3-117.7 110.6 27.5 33.0 8.0 179 179 A A E -de 161 198A 0 18,-2.1 20,-2.1 -2,-0.5 2,-0.4 -0.610 9.7-163.8 -82.6 137.5 28.5 36.6 7.8 180 180 A I E - e 0 199A 0 -19,-2.1 20,-0.2 -2,-0.3 5,-0.2 -0.944 10.2-169.3-121.5 144.8 25.9 39.3 6.8 181 181 A T S S+ 0 0 32 18,-2.1 6,-0.2 -2,-0.4 19,-0.2 0.306 70.2 83.4-118.8 5.6 26.8 42.8 5.7 182 182 A W S S+ 0 0 43 17,-0.4 -1,-0.1 -169,-0.1 18,-0.1 0.417 91.9 63.2 -82.4 -1.5 23.5 44.7 5.7 183 183 A G S S- 0 0 21 2,-0.2 -169,-0.1 -3,-0.2 -170,-0.1 0.147 105.2 -64.1-108.7-143.0 23.9 45.2 9.4 184 184 A F S S+ 0 0 34 -171,-0.3 -137,-0.1 -172,-0.1 2,-0.1 0.821 98.2 78.9 -91.3 -31.9 26.1 46.9 12.0 185 185 A G S S- 0 0 17 -23,-0.5 2,-0.3 -5,-0.2 -2,-0.2 -0.409 82.8-111.7 -77.2 154.2 29.4 45.1 11.7 186 186 A E >> - 0 0 124 1,-0.1 4,-1.9 -2,-0.1 3,-0.7 -0.686 14.7-131.0 -90.5 139.1 31.8 46.0 8.9 187 187 A Q H 3> S+ 0 0 97 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.838 105.4 60.8 -56.3 -40.6 32.6 43.5 6.1 188 188 A A H 3> S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.890 107.9 44.5 -53.4 -45.9 36.4 43.9 6.4 189 189 A D H X4 S+ 0 0 71 -3,-0.7 3,-0.9 2,-0.2 4,-0.4 0.939 111.7 52.3 -63.2 -49.6 36.2 42.7 10.1 190 190 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.879 105.0 54.6 -61.7 -39.0 33.9 39.8 9.3 191 191 A L H >< S+ 0 0 82 -4,-2.5 3,-2.0 1,-0.3 -1,-0.3 0.781 92.3 71.4 -69.0 -24.6 36.0 38.4 6.6 192 192 A N T << S+ 0 0 112 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.672 95.8 56.8 -61.4 -15.6 39.1 38.2 8.9 193 193 A Y T < S- 0 0 56 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.274 109.6-122.2-100.7 10.5 37.2 35.4 10.6 194 194 A Q < - 0 0 134 -3,-2.0 -17,-0.2 1,-0.1 -3,-0.1 0.954 32.5-154.5 54.1 60.4 36.8 33.1 7.5 195 195 A P - 0 0 26 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.309 18.1-128.6 -63.3 157.4 33.0 32.8 7.3 196 196 A D S S- 0 0 75 -19,-2.8 2,-0.3 1,-0.2 -18,-0.2 0.715 89.9 -1.3 -77.3 -22.6 31.5 29.7 5.6 197 197 A Y E -e 178 0A 55 -20,-0.9 -18,-2.1 2,-0.0 2,-0.3 -0.959 68.4-150.2-161.9 156.1 29.2 31.9 3.5 198 198 A I E -e 179 0A 50 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.988 9.3-173.5-138.2 146.5 28.6 35.6 3.2 199 199 A A E -e 180 0A 0 -20,-2.1 -18,-2.1 -2,-0.3 -17,-0.4 -0.985 21.3-175.0-142.6 133.2 25.5 37.7 2.2 200 200 A H S S+ 0 0 116 -2,-0.4 -1,-0.1 -20,-0.2 -20,-0.1 0.542 85.0 40.7 -96.9 -8.5 24.9 41.4 1.6 201 201 A K S >> S- 0 0 133 1,-0.1 3,-1.3 -113,-0.0 4,-0.7 -0.996 85.7-119.4-137.8 141.7 21.1 40.8 1.1 202 202 A P T >4 S+ 0 0 12 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.847 110.5 52.7 -49.7 -45.1 18.7 38.5 3.1 203 203 A L T >> S+ 0 0 68 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.751 95.7 68.8 -72.1 -16.1 17.7 36.3 0.1 204 204 A E H X> S+ 0 0 65 -3,-1.3 3,-0.7 1,-0.2 4,-0.5 0.820 89.1 67.5 -63.8 -26.6 21.3 35.6 -0.7 205 205 A V H XX S+ 0 0 0 -3,-1.5 3,-1.0 -4,-0.7 4,-0.6 0.846 89.3 64.7 -59.8 -33.9 21.3 33.6 2.6 206 206 A L H X4 S+ 0 0 40 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.2 0.824 88.0 66.3 -66.8 -34.0 19.0 31.0 1.1 207 207 A A H X< S+ 0 0 57 -3,-0.7 3,-1.7 -4,-0.6 -1,-0.3 0.776 90.7 64.3 -60.0 -30.9 21.4 29.8 -1.6 208 208 A Y H << S+ 0 0 44 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.887 101.4 50.8 -60.2 -37.2 23.7 28.4 1.0 209 209 A F T << 0 0 6 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.202 360.0 360.0 -89.9 13.6 21.0 25.9 2.0 210 210 A Q < 0 0 186 -3,-1.7 0, 0.0 0, 0.0 0, 0.0 -0.993 360.0 360.0-119.8 360.0 20.4 24.8 -1.7