==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE TRANSPORT 11-NOV-95 1QUL . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.YAO,A.CHOUDHARY,P.S.LEDVINA,F.A.QUIOCHO . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 3 2 1 1 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 1 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 E 0 0 174 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 124.6 20.7 3.7 32.6 2 2 A A - 0 0 10 270,-0.1 28,-3.0 267,-0.0 2,-0.6 -0.830 360.0-146.3-113.2 149.6 21.8 4.1 29.0 3 3 A S E -a 30 0A 79 -2,-0.3 2,-0.3 26,-0.2 28,-0.2 -0.969 30.2-177.9-114.3 110.2 25.2 5.0 27.5 4 4 A L E -a 31 0A 2 26,-2.9 28,-2.6 -2,-0.6 2,-0.4 -0.858 15.2-154.0-114.4 149.4 24.6 7.1 24.4 5 5 A T E +a 32 0A 43 -2,-0.3 46,-1.7 26,-0.2 47,-1.3 -0.977 14.6 170.9-129.4 131.6 27.0 8.6 21.8 6 6 A G E -ab 33 52A 0 26,-2.6 28,-2.7 -2,-0.4 2,-0.3 -0.935 6.0-177.4-130.1 155.1 26.5 11.7 19.6 7 7 A A E +ab 34 53A 0 45,-1.5 47,-1.4 -2,-0.3 2,-0.4 -0.988 31.3 59.0-154.4 144.8 28.9 13.5 17.3 8 8 A G E +ab 35 54A 0 26,-2.8 29,-2.4 -2,-0.3 28,-1.1 -0.993 62.8 52.7 151.2-139.2 29.0 16.6 15.0 9 9 A A - 0 0 0 45,-2.2 4,-0.1 -2,-0.4 46,-0.1 0.035 39.5-161.2 -40.8 136.1 28.5 20.4 15.0 10 10 A T S > S+ 0 0 11 1,-0.2 3,-0.8 2,-0.1 -1,-0.1 0.671 78.4 88.0 -92.4 -19.7 30.4 22.5 17.5 11 11 A F T 3 S+ 0 0 0 1,-0.2 186,-0.2 2,-0.1 -1,-0.2 0.878 105.9 22.2 -44.9 -46.7 27.9 25.5 17.0 12 12 A P T >> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.368 90.2 110.8-104.4 2.5 25.6 24.0 19.8 13 13 A A H <> S+ 0 0 16 -3,-0.8 4,-2.7 1,-0.2 5,-0.3 0.840 71.5 60.7 -47.4 -43.3 28.2 21.9 21.7 14 14 A P H 3> S+ 0 0 36 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.899 111.8 38.5 -54.6 -38.7 28.2 24.2 24.8 15 15 A V H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.867 114.4 52.3 -81.0 -36.5 24.4 23.5 25.4 16 16 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -3,-0.2 0.926 111.1 49.5 -65.4 -40.1 24.5 19.8 24.5 17 17 A A H X S+ 0 0 55 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.931 113.0 45.6 -63.8 -43.8 27.4 19.3 26.9 18 18 A K H X S+ 0 0 83 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.879 113.4 49.8 -64.6 -42.7 25.5 21.2 29.8 19 19 A W H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.953 111.6 50.3 -59.8 -46.3 22.3 19.3 29.0 20 20 A A H X S+ 0 0 10 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.894 109.9 48.5 -61.3 -45.0 24.2 16.0 29.1 21 21 A D H X S+ 0 0 94 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.940 115.5 44.4 -59.5 -49.9 25.9 16.8 32.5 22 22 A T H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.881 110.0 54.8 -63.6 -42.5 22.6 17.8 34.1 23 23 A Y H X>S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 5,-0.5 0.885 108.7 49.2 -59.1 -42.4 20.7 14.8 32.6 24 24 A Q H X5S+ 0 0 82 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.890 109.3 52.3 -65.1 -41.9 23.3 12.4 34.1 25 25 A K H <5S+ 0 0 162 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 118.6 36.5 -62.5 -35.5 23.0 14.1 37.5 26 26 A E H <5S+ 0 0 142 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.839 136.7 12.4 -89.6 -30.5 19.2 13.7 37.4 27 27 A T H <5S- 0 0 66 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.523 88.3-121.9-122.9 -11.7 18.7 10.3 35.8 28 28 A G << + 0 0 26 -4,-1.7 -4,-0.2 -5,-0.5 -3,-0.1 0.160 65.6 136.5 86.8 -21.9 22.1 8.6 35.7 29 29 A N - 0 0 16 -6,-0.4 2,-0.5 -28,-0.1 -1,-0.3 -0.340 47.4-139.5 -59.5 142.3 21.9 8.2 31.8 30 30 A K E -a 3 0A 82 -28,-3.0 -26,-2.9 -3,-0.1 2,-0.5 -0.900 18.7-175.2-112.4 127.2 25.2 9.1 30.1 31 31 A V E -a 4 0A 19 -2,-0.5 2,-0.5 -11,-0.2 -26,-0.2 -0.986 5.6-166.0-121.4 118.8 25.5 11.1 26.9 32 32 A N E -a 5 0A 94 -28,-2.6 -26,-2.6 -2,-0.5 2,-0.5 -0.932 8.3-168.3-105.8 119.7 28.9 11.5 25.3 33 33 A Y E -a 6 0A 37 -2,-0.5 2,-0.6 -28,-0.2 -26,-0.2 -0.967 8.5-156.7-115.7 122.2 29.0 14.2 22.6 34 34 A Q E -a 7 0A 75 -28,-2.7 -26,-2.8 -2,-0.5 2,-1.5 -0.840 8.8-148.9 -97.8 115.2 32.0 14.6 20.3 35 35 A G E +a 8 0A 45 -2,-0.6 -26,-0.2 -28,-0.2 -25,-0.1 -0.633 44.4 139.8 -84.1 91.0 32.3 18.2 18.8 36 36 A I - 0 0 72 -2,-1.5 4,-0.3 -28,-1.1 -27,-0.2 0.422 65.3 -87.3-113.9 0.5 33.9 17.3 15.4 37 37 A G > - 0 0 2 -29,-2.4 4,-1.8 -3,-0.2 -1,-0.3 -0.046 42.2 -86.0 103.7 147.3 32.1 19.6 12.9 38 38 A S H > S+ 0 0 3 -30,-0.3 4,-2.0 1,-0.2 5,-0.2 0.841 122.3 55.8 -60.4 -39.4 28.9 19.1 11.0 39 39 A S H > S+ 0 0 33 99,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.907 109.5 46.5 -61.1 -42.9 30.4 17.2 8.0 40 40 A G H > S+ 0 0 23 98,-0.3 4,-3.2 -4,-0.3 -1,-0.2 0.864 108.5 56.8 -65.9 -38.2 31.9 14.6 10.3 41 41 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 13,-0.3 5,-0.2 0.920 109.0 45.7 -58.4 -44.4 28.6 14.3 12.2 42 42 A V H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.952 114.6 48.0 -64.5 -47.0 26.8 13.4 8.9 43 43 A K H X S+ 0 0 150 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 112.1 50.3 -60.5 -43.2 29.5 11.0 7.9 44 44 A Q H <>S+ 0 0 60 -4,-3.2 5,-2.1 2,-0.2 6,-0.6 0.892 110.6 46.5 -67.0 -37.6 29.4 9.3 11.3 45 45 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.6 2,-0.2 -1,-0.2 0.939 111.8 51.2 -70.2 -39.9 25.7 8.8 11.5 46 46 A I H 3<5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.900 111.2 50.3 -61.4 -34.1 25.6 7.4 7.9 47 47 A A T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.477 108.8-127.0 -81.5 -4.4 28.4 5.0 9.0 48 48 A N T < 5S+ 0 0 99 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.814 71.9 127.4 61.5 32.1 26.4 3.9 12.2 49 49 A T S - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.255 27.1-108.0 -65.5 162.0 17.3 17.9 1.9 61 61 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.907 120.8 48.9 -59.6 -40.3 14.2 15.8 2.0 62 62 A E H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.933 109.7 49.5 -66.0 -46.5 15.5 13.5 -0.7 63 63 A K H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 110.7 52.2 -59.9 -39.3 18.9 13.0 0.9 64 64 A L H X>S+ 0 0 17 -4,-2.5 5,-2.7 1,-0.2 4,-0.6 0.946 111.2 46.3 -61.4 -46.3 17.2 12.1 4.2 65 65 A A H ><5S+ 0 0 63 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.864 109.6 54.7 -64.1 -40.7 15.0 9.5 2.3 66 66 A Q H 3<5S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.5 37.0 -60.0 -36.4 18.1 8.1 0.5 67 67 A E H 3<5S- 0 0 62 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.377 108.9-120.1 -99.0 2.6 19.9 7.5 3.8 68 68 A G T <<5 + 0 0 25 -3,-0.6 194,-2.3 -4,-0.6 195,-0.5 0.876 65.2 145.4 57.6 40.0 16.9 6.5 5.8 69 69 A L E < -D 261 0A 3 -5,-2.7 2,-0.4 192,-0.2 192,-0.2 -0.682 41.8-150.9-110.6 158.1 17.4 9.4 8.2 70 70 A F E -D 260 0A 18 190,-2.3 190,-2.0 -2,-0.2 2,-0.4 -0.989 14.6-156.2-123.3 140.1 15.1 11.7 10.2 71 71 A Q E +D 259 0A 12 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.935 13.5 174.4-124.0 138.5 16.1 15.3 11.1 72 72 A F E -D 258 0A 0 186,-1.7 186,-2.2 -2,-0.4 2,-0.2 -0.998 26.5-122.3-143.6 140.6 14.9 17.6 13.9 73 73 A P E -D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.506 21.5-178.7 -81.4 151.2 16.0 21.1 15.2 74 74 A T E - 0 0 4 182,-2.2 222,-0.6 1,-0.4 2,-0.3 0.831 55.9 -10.3-111.2 -55.5 17.1 21.8 18.8 75 75 A V E - E 0 295A 3 181,-0.3 181,-0.7 220,-0.1 2,-0.5 -0.868 56.5-117.2-144.0 170.0 18.0 25.5 19.5 76 76 A I E +DE 255 294A 5 218,-2.5 218,-2.7 -2,-0.3 179,-0.2 -0.965 37.5 166.2-117.9 122.9 18.5 28.9 17.7 77 77 A G E -D 254 0A 0 177,-3.1 177,-2.1 -2,-0.5 2,-0.3 -0.636 24.8-124.8-121.8-171.6 21.9 30.6 17.9 78 78 A G E -D 253 0A 0 175,-0.2 118,-2.9 -2,-0.2 2,-0.5 -0.988 9.1-133.6-142.5 143.3 23.8 33.4 16.2 79 79 A V E -F 195 0B 0 173,-3.0 2,-0.3 -2,-0.3 173,-0.2 -0.863 31.4-179.7 -94.9 129.4 27.1 33.8 14.4 80 80 A V E -F 194 0B 0 114,-2.9 114,-2.3 -2,-0.5 2,-0.7 -0.801 32.1-112.6-124.8 163.9 29.1 36.9 15.4 81 81 A L E -F 193 0B 0 -2,-0.3 126,-1.4 126,-0.2 2,-0.3 -0.905 28.2-156.4-101.3 105.0 32.4 38.4 14.4 82 82 A A E -FG 192 206B 0 110,-2.6 110,-2.0 -2,-0.7 2,-0.3 -0.682 20.1-173.4 -76.5 136.6 34.9 38.1 17.3 83 83 A V E -FG 191 205B 10 122,-2.3 122,-0.7 -2,-0.3 2,-0.4 -0.930 31.5-153.0-137.5 157.0 37.6 40.8 16.9 84 84 A N + 0 0 49 106,-1.9 105,-3.5 -2,-0.3 106,-0.2 -0.819 36.0 158.1-128.2 84.0 40.9 41.8 18.6 85 85 A I > - 0 0 16 -2,-0.4 3,-0.6 3,-0.2 -2,-0.1 -0.953 41.0-120.7-117.5 119.1 41.1 45.6 17.9 86 86 A P T 3 S+ 0 0 58 0, 0.0 2,-0.5 0, 0.0 42,-0.1 -0.283 91.9 8.1 -59.0 133.2 43.3 47.9 20.1 87 87 A G T 3 S+ 0 0 83 1,-0.2 2,-0.2 38,-0.1 38,-0.1 -0.163 101.7 104.1 91.5 -42.2 41.5 50.7 21.8 88 88 A L < - 0 0 27 -3,-0.6 -1,-0.2 -2,-0.5 -3,-0.2 -0.518 61.6-141.0 -75.7 143.4 37.9 49.7 20.9 89 89 A K > - 0 0 148 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.565 42.4 -70.9 -96.1 166.1 35.7 48.0 23.6 90 90 A S T 3 S+ 0 0 50 1,-0.2 -1,-0.1 -2,-0.2 117,-0.1 -0.258 116.8 14.0 -59.2 142.1 33.4 45.1 22.8 91 91 A G T 3 S+ 0 0 14 115,-2.9 -1,-0.2 2,-0.1 116,-0.1 0.418 95.2 109.7 75.0 0.7 30.3 45.9 20.7 92 92 A E < + 0 0 50 -3,-1.4 2,-0.2 114,-0.2 -2,-0.1 0.909 59.5 71.3 -72.7 -48.5 31.6 49.3 19.7 93 93 A L - 0 0 6 -4,-0.4 115,-2.9 113,-0.2 2,-0.4 -0.503 64.2-159.0 -77.2 141.8 32.3 48.6 16.0 94 94 A V E -j 208 0C 22 113,-0.2 2,-0.3 -2,-0.2 115,-0.2 -0.958 9.8-177.6-119.1 136.2 29.5 48.2 13.4 95 95 A L E -j 209 0C 0 113,-1.4 115,-1.0 -2,-0.4 2,-0.2 -0.869 13.2-146.2-125.2 155.6 30.0 46.4 10.1 96 96 A D > - 0 0 42 -2,-0.3 4,-2.3 113,-0.2 5,-0.2 -0.712 32.6 -99.7-113.7 176.2 27.5 46.0 7.3 97 97 A G H > S+ 0 0 7 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 117.4 49.7 -63.2 -46.3 27.2 43.0 4.9 98 98 A K H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 115.4 41.8 -60.5 -46.5 29.0 44.5 1.9 99 99 A T H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.5 55.4 -72.0 -39.5 32.0 45.7 3.9 100 100 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.962 108.8 49.2 -57.5 -43.4 32.2 42.5 5.9 101 101 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.890 108.1 54.3 -61.7 -38.8 32.4 40.6 2.5 102 102 A D H <>S+ 0 0 13 -4,-1.7 5,-2.1 2,-0.2 6,-1.4 0.812 106.4 51.4 -67.0 -29.2 35.1 42.9 1.3 103 103 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.6 -3,-0.4 -2,-0.2 0.971 112.4 45.8 -69.9 -49.3 37.1 42.1 4.4 104 104 A Y H 3<5S+ 0 0 0 -4,-2.4 66,-0.5 1,-0.3 -2,-0.2 0.703 109.4 55.1 -66.0 -22.3 36.7 38.4 3.8 105 105 A L T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.584 116.2-117.4 -81.5 -13.7 37.6 38.9 0.1 106 106 A G T < 5S+ 0 0 9 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.596 83.8 118.6 87.3 11.3 40.8 40.6 1.2 107 107 A K < + 0 0 120 -5,-2.1 2,-0.6 -6,-0.2 -4,-0.2 0.856 69.3 55.0 -76.1 -37.1 39.9 44.0 -0.4 108 108 A I + 0 0 11 -6,-1.4 -2,-0.2 -9,-0.2 -1,-0.1 -0.894 61.2 166.9-100.9 121.5 40.0 45.8 3.0 109 109 A K + 0 0 124 -2,-0.6 21,-3.0 1,-0.1 2,-0.3 0.635 53.6 55.1-109.2 -23.7 43.3 45.3 4.8 110 110 A K B > S-L 129 0D 76 19,-0.3 3,-1.2 1,-0.1 19,-0.2 -0.921 70.6-131.2-118.3 151.1 43.4 47.9 7.7 111 111 A W T 3 S+ 0 0 1 17,-2.4 16,-0.2 -2,-0.3 18,-0.1 0.711 107.9 54.9 -67.7 -23.4 41.0 48.6 10.6 112 112 A D T 3 S+ 0 0 67 14,-0.4 -1,-0.3 16,-0.2 15,-0.1 -0.006 78.7 145.4 -99.3 26.9 40.9 52.3 9.9 113 113 A D X> - 0 0 54 -3,-1.2 4,-2.5 1,-0.1 3,-0.9 -0.356 61.9-113.9 -62.3 149.0 39.9 51.9 6.2 114 114 A E H 3> S+ 0 0 144 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.809 115.8 54.1 -51.8 -42.2 37.5 54.6 4.7 115 115 A A H 3> S+ 0 0 37 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.835 112.0 43.1 -66.1 -31.9 34.7 52.1 4.3 116 116 A I H <> S+ 0 0 0 -3,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.868 113.1 52.8 -81.5 -34.2 34.9 51.1 8.0 117 117 A A H >< S+ 0 0 38 -4,-2.5 3,-0.8 1,-0.2 6,-0.2 0.912 105.0 55.2 -63.9 -42.5 35.3 54.7 9.2 118 118 A K H 3< S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.2 48.3 -60.7 -36.6 32.2 55.8 7.2 119 119 A L H 3< S+ 0 0 45 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.692 119.5 41.5 -75.3 -18.6 30.2 53.1 9.1 120 120 A N X< + 0 0 11 -4,-0.8 3,-1.6 -3,-0.8 -1,-0.2 -0.410 68.0 170.2-129.4 61.5 31.7 54.4 12.4 121 121 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 79.0 41.5 -39.3 -53.7 31.7 58.3 12.3 122 122 A G T 3 S+ 0 0 79 2,-0.1 2,-0.2 0, 0.0 -5,-0.0 0.689 92.5 103.7 -76.9 -15.6 32.7 58.8 15.9 123 123 A L < - 0 0 48 -3,-1.6 2,-1.0 -6,-0.2 -3,-0.1 -0.400 63.6-140.2 -77.4 144.6 35.3 56.1 16.4 124 124 A K - 0 0 192 -2,-0.2 -1,-0.1 -37,-0.0 -2,-0.1 -0.848 32.3-162.4 -97.6 95.2 39.0 56.5 16.5 125 125 A L - 0 0 26 -2,-1.0 -13,-0.1 -5,-0.1 2,-0.1 -0.663 12.1-123.9 -82.9 138.3 40.0 53.4 14.5 126 126 A P - 0 0 29 0, 0.0 -14,-0.4 0, 0.0 -15,-0.1 -0.426 15.2-123.3 -81.5 157.3 43.6 52.1 14.6 127 127 A S + 0 0 81 -16,-0.2 2,-0.1 -2,-0.1 -2,-0.0 -0.021 62.9 145.6 -86.7 36.8 45.8 51.6 11.6 128 128 A Q - 0 0 63 -42,-0.1 -17,-2.4 1,-0.1 -16,-0.2 -0.451 55.4-111.6 -76.2 140.5 46.1 47.9 12.5 129 129 A N B -L 110 0D 109 -19,-0.2 2,-0.3 -2,-0.1 -19,-0.3 -0.527 32.9-121.4 -67.0 142.3 46.4 45.2 9.8 130 130 A I - 0 0 22 -21,-3.0 2,-0.7 -2,-0.2 60,-0.2 -0.646 20.2-157.0 -86.1 131.7 43.3 43.0 9.8 131 131 A A E -h 190 0B 28 58,-2.3 60,-2.0 -2,-0.3 2,-0.3 -0.916 13.2-151.5-111.9 101.9 44.1 39.3 10.3 132 132 A V E -h 191 0B 10 -2,-0.7 40,-2.4 58,-0.2 2,-0.4 -0.584 12.3-169.9 -75.8 132.2 41.2 37.2 8.8 133 133 A V E +hi 192 172B 0 58,-2.0 60,-0.6 38,-0.3 2,-0.3 -0.977 10.8 164.1-121.1 145.2 40.5 33.7 10.4 134 134 A R E - i 0 173B 57 38,-2.6 40,-2.8 -2,-0.4 2,-0.2 -0.863 42.4 -66.6-148.2 176.1 38.1 31.0 9.0 135 135 A R E - i 0 174B 11 -2,-0.3 40,-0.2 38,-0.2 4,-0.1 -0.443 29.4-146.0 -76.3 144.2 37.4 27.3 9.5 136 136 A A S S+ 0 0 50 38,-1.9 2,-0.2 -2,-0.2 39,-0.1 0.805 75.8 11.9 -76.6 -33.6 39.9 24.6 8.5 137 137 A T S S- 0 0 81 37,-0.3 39,-0.1 1,-0.1 37,-0.1 -0.770 109.0 -38.1-137.2 179.7 37.4 21.8 7.3 138 138 A G + 0 0 13 -2,-0.2 -99,-0.8 -101,-0.1 2,-0.4 -0.161 68.3 177.3 -44.8 119.4 33.8 21.2 6.4 139 139 A S > - 0 0 1 25,-2.5 4,-1.4 -101,-0.2 24,-0.1 -0.985 41.8-149.5-138.5 139.8 31.7 23.3 8.9 140 140 A G H > S+ 0 0 0 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.838 106.2 55.3 -69.7 -37.1 28.0 24.1 9.5 141 141 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 106.8 50.8 -63.7 -40.6 29.0 27.5 10.9 142 142 A S H > S+ 0 0 0 22,-0.2 4,-3.0 1,-0.2 21,-0.3 0.889 106.4 56.3 -60.7 -37.5 30.9 28.2 7.6 143 143 A F H X S+ 0 0 66 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.937 111.3 41.3 -61.5 -48.1 27.7 27.2 5.7 144 144 A V H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 115.5 51.3 -70.0 -33.2 25.6 29.8 7.5 145 145 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 114.8 40.8 -67.9 -43.7 28.3 32.4 7.3 146 146 A T H X S+ 0 0 0 -4,-3.0 4,-2.3 17,-0.3 -1,-0.2 0.823 109.4 59.9 -76.5 -26.3 28.8 32.0 3.5 147 147 A S H X S+ 0 0 24 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.938 110.7 43.8 -63.0 -40.5 25.0 31.7 3.0 148 148 A Y H >X S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 4,-0.9 0.920 111.3 51.6 -69.1 -51.3 24.9 35.2 4.5 149 149 A L H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.7 0.881 103.4 58.6 -55.6 -40.3 27.8 36.7 2.5 150 150 A A H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.747 105.4 51.9 -63.3 -22.7 26.4 35.5 -0.8 151 151 A K H << S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.755 118.9 32.2 -83.6 -26.2 23.2 37.6 -0.1 152 152 A V H << S+ 0 0 37 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.430 117.8 46.5-113.6 -3.2 25.0 40.9 0.7 153 153 A N X - 0 0 3 -4,-1.5 4,-2.2 -5,-0.1 -1,-0.2 -0.870 58.4-166.1-145.7 106.1 28.1 40.9 -1.5 154 154 A E H > S+ 0 0 131 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.801 88.3 59.1 -62.6 -36.0 27.8 40.0 -5.2 155 155 A E H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.915 109.7 44.9 -59.5 -44.4 31.6 39.5 -5.8 156 156 A W H >>S+ 0 0 0 -7,-0.2 5,-2.8 2,-0.2 4,-2.6 0.941 112.6 52.0 -63.0 -49.4 31.6 36.9 -3.0 157 157 A K H <5S+ 0 0 107 -4,-2.2 -2,-0.2 -8,-0.3 -1,-0.2 0.937 115.1 40.5 -54.0 -48.7 28.5 35.3 -4.4 158 158 A N H <5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.741 126.9 28.8 -77.0 -26.8 29.8 35.0 -8.0 159 159 A N H <5S+ 0 0 130 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.714 135.8 14.7-108.2 -26.1 33.4 33.9 -7.3 160 160 A V T <5S+ 0 0 28 -4,-2.6 7,-0.4 -5,-0.4 -3,-0.2 0.732 83.2 179.0-119.6 -37.6 33.4 32.0 -4.0 161 161 A G < - 0 0 17 -5,-2.8 2,-0.3 -6,-0.1 -11,-0.1 -0.315 34.5 -46.2 78.3-156.0 29.8 31.1 -3.2 162 162 A T + 0 0 66 -5,-0.1 2,-0.3 -13,-0.1 -19,-0.1 -0.921 66.4 117.0-124.5 143.5 28.2 29.2 -0.3 163 163 A G S S- 0 0 14 -2,-0.3 -17,-0.3 -21,-0.3 3,-0.1 -0.941 71.8 -97.2 173.3 168.3 29.2 25.9 1.3 164 164 A S S S+ 0 0 33 -2,-0.3 -25,-2.5 1,-0.3 2,-0.3 0.667 122.8 23.4 -73.8 -16.6 30.4 24.0 4.4 165 165 A T S S+ 0 0 91 -27,-0.2 2,-0.3 -23,-0.1 -1,-0.3 -0.978 77.2 170.4-146.1 137.3 33.8 24.5 2.6 166 166 A V - 0 0 18 -2,-0.3 2,-1.5 -3,-0.1 -5,-0.1 -0.898 49.6 -90.7-141.1 166.2 34.7 27.2 0.0 167 167 A K - 0 0 182 -7,-0.4 -2,-0.0 -2,-0.3 -6,-0.0 -0.696 52.5-141.8 -81.2 88.9 37.9 28.4 -1.7 168 168 A W - 0 0 34 -2,-1.5 3,-0.1 1,-0.1 -63,-0.1 -0.352 6.8-147.1 -56.8 122.9 38.7 31.0 1.0 169 169 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.858 77.7 -18.7 -59.4 -35.2 40.2 34.2 -0.6 170 170 A I S S+ 0 0 59 -66,-0.5 2,-0.1 2,-0.1 -64,-0.1 -0.958 85.6 103.2-159.8 169.6 42.4 34.9 2.5 171 171 A G - 0 0 25 -2,-0.3 -38,-0.3 -3,-0.1 2,-0.2 -0.082 58.2 -98.4 119.1 138.0 42.4 33.8 6.1 172 172 A L E -i 133 0B 86 -40,-2.4 -38,-2.6 -2,-0.1 2,-0.5 -0.556 44.0-112.7 -81.1 149.4 44.2 31.5 8.5 173 173 A G E -i 134 0B 37 -2,-0.2 2,-0.4 -40,-0.2 -38,-0.2 -0.742 31.0-172.7 -93.8 126.3 42.6 28.1 9.3 174 174 A G E -i 135 0B 4 -40,-2.8 -38,-1.9 -2,-0.5 2,-0.7 -0.879 23.4-125.1-112.1 142.9 41.2 27.5 12.9 175 175 A K > - 0 0 153 -2,-0.4 4,-1.1 -40,-0.2 -40,-0.1 -0.789 69.8 -21.0 -93.7 115.4 39.9 24.1 14.0 176 176 A G H > S- 0 0 12 -2,-0.7 4,-1.7 2,-0.2 5,-0.1 -0.084 90.7 -71.2 77.7 167.1 36.4 24.2 15.4 177 177 A N H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 138.5 53.8 -62.7 -39.0 34.5 27.2 16.9 178 178 A D H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 104.1 54.4 -65.0 -33.1 36.9 26.9 19.8 179 179 A G H X S+ 0 0 17 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.884 108.3 47.8 -67.4 -40.4 39.9 27.1 17.5 180 180 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 -6,-0.2 -2,-0.2 0.933 110.9 52.7 -66.6 -37.2 38.7 30.3 15.8 181 181 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 110.2 47.4 -61.8 -45.0 38.1 31.8 19.3 182 182 A A H X S+ 0 0 59 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.826 110.5 53.0 -66.0 -34.7 41.7 30.9 20.5 183 183 A F H X S+ 0 0 33 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.932 108.7 48.6 -67.6 -45.5 43.1 32.4 17.3 184 184 A V H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 6,-0.3 0.949 109.2 54.3 -60.3 -45.0 41.3 35.7 17.8 185 185 A Q H 3< S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.4 39.0 -58.7 -36.1 42.5 35.9 21.4 186 186 A R H 3< S+ 0 0 158 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.600 104.6 74.4 -94.1 -7.3 46.2 35.5 20.4 187 187 A L S X< S- 0 0 37 -4,-1.3 3,-2.2 -3,-0.7 -56,-0.2 -0.830 71.1-144.1-114.6 99.8 46.2 37.6 17.3 188 188 A P T 3 S+ 0 0 83 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.369 92.7 23.0 -57.0 129.9 46.1 41.4 17.6 189 189 A G T 3 S+ 0 0 0 -105,-3.5 -58,-2.3 1,-0.2 -104,-0.1 0.387 93.8 146.7 93.9 0.8 44.0 42.7 14.7 190 190 A A E < - h 0 131B 0 -3,-2.2 -106,-1.9 -6,-0.3 2,-0.3 -0.209 29.7-171.9 -71.6 152.1 42.1 39.5 14.2 191 191 A I E +Fh 83 132B 0 -60,-2.0 -58,-2.0 -108,-0.2 2,-0.3 -0.976 15.0 163.6-138.9 133.4 38.5 38.9 13.0 192 192 A G E -Fh 82 133B 0 -110,-2.0 -110,-2.6 -2,-0.3 2,-0.4 -0.978 34.7-118.8-152.3 144.8 36.9 35.5 13.0 193 193 A Y E +F 81 0B 0 -60,-0.6 2,-0.3 -2,-0.3 -112,-0.2 -0.668 42.2 155.8 -88.6 132.4 33.3 34.1 12.8 194 194 A V E -F 80 0B 0 -114,-2.3 -114,-2.9 -2,-0.4 2,-0.2 -0.989 50.6 -91.8-149.3 155.6 32.0 32.0 15.8 195 195 A E E >> -F 79 0B 0 -2,-0.3 3,-2.0 -116,-0.2 4,-0.6 -0.506 52.4-109.0 -65.6 139.5 28.7 31.0 17.4 196 196 A Y H >> S+ 0 0 13 -118,-2.9 4,-2.5 1,-0.3 3,-1.5 0.769 114.4 62.4 -39.7 -47.8 28.0 33.7 20.0 197 197 A A H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.846 99.2 58.6 -53.4 -33.7 28.7 31.5 23.1 198 198 A Y H <4 S+ 0 0 26 -3,-2.0 4,-0.3 2,-0.2 -1,-0.3 0.747 110.9 40.1 -67.8 -30.0 32.3 31.1 21.9 199 199 A A H <<>S+ 0 0 0 -3,-1.5 5,-2.8 -4,-0.6 3,-0.3 0.910 120.3 43.0 -81.9 -51.7 32.9 34.9 22.0 200 200 A K H ><5S+ 0 0 91 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.939 113.6 48.2 -61.9 -51.5 31.0 35.6 25.2 201 201 A Q T 3<5S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.741 115.8 45.8 -62.8 -25.1 32.2 32.7 27.3 202 202 A N T 3 5S- 0 0 75 -5,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.219 112.7-119.2-100.6 13.1 35.8 33.5 26.3 203 203 A N T < 5 + 0 0 154 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.843 57.1 159.0 52.5 43.8 35.4 37.3 27.0 204 204 A L < - 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