==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE-BINDING PROTEIN 10-FEB-98 1A40 . COMPND 2 MOLECULE: PHOSPHATE-BINDING PERIPLASMIC PROTEIN PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.S.LEDIVINA,Z.WANG,A.TSAI,E.KOEHL,F.A.QUIOCHO . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.8 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 . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 2 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 . 0 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 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 0 156 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 139.5 20.5 3.8 32.3 2 2 A A - 0 0 11 270,-0.1 28,-3.2 267,-0.0 2,-0.6 -0.777 360.0-138.2-113.6 156.0 21.7 4.0 28.7 3 3 A S E -a 30 0A 75 -2,-0.3 2,-0.3 26,-0.2 28,-0.2 -0.985 30.9-175.9-114.6 111.7 25.0 4.9 27.1 4 4 A L E -a 31 0A 3 26,-3.4 28,-2.4 -2,-0.6 2,-0.4 -0.799 12.0-155.5-108.8 151.0 24.3 7.1 24.1 5 5 A T E +a 32 0A 41 -2,-0.3 46,-1.7 26,-0.2 47,-1.3 -0.999 15.0 172.0-133.8 124.4 26.8 8.5 21.6 6 6 A G E -ab 33 52A 0 26,-2.6 28,-2.5 -2,-0.4 2,-0.3 -0.942 5.2-177.8-127.7 154.9 26.3 11.6 19.4 7 7 A A E +ab 34 53A 0 45,-1.5 47,-1.5 -2,-0.3 2,-0.4 -0.995 31.4 54.5-155.5 147.0 28.7 13.4 17.1 8 8 A G E +ab 35 54A 0 26,-2.6 29,-2.5 -2,-0.3 28,-1.3 -0.991 65.2 58.9 146.9-133.2 28.9 16.4 14.8 9 9 A A - 0 0 0 45,-1.8 46,-0.1 -2,-0.4 130,-0.1 0.042 38.9-165.2 -42.7 130.0 28.2 20.2 15.0 10 10 A T S > S+ 0 0 9 1,-0.1 3,-0.8 2,-0.1 -1,-0.1 0.641 78.3 86.3 -90.0 -18.1 30.2 22.2 17.5 11 11 A F T 3 S+ 0 0 0 1,-0.3 186,-0.2 2,-0.1 -1,-0.1 0.900 106.7 20.7 -47.8 -50.4 27.7 25.1 17.0 12 12 A P T >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.283 92.6 111.0-103.5 7.1 25.3 23.6 19.6 13 13 A A H <> S+ 0 0 15 -3,-0.8 4,-2.6 1,-0.2 5,-0.3 0.858 72.8 58.4 -50.5 -39.5 27.9 21.5 21.5 14 14 A P H 3> S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 111.6 39.9 -58.5 -44.0 27.8 23.7 24.6 15 15 A V H <> S+ 0 0 0 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.898 114.9 51.7 -72.1 -40.1 24.0 23.2 25.1 16 16 A Y H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.909 112.7 47.0 -61.1 -40.9 24.2 19.5 24.2 17 17 A A H X S+ 0 0 52 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.903 113.1 47.7 -67.9 -42.0 26.9 19.0 26.8 18 18 A K H X S+ 0 0 56 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.959 114.7 46.8 -63.0 -49.2 25.0 21.0 29.4 19 19 A W H X S+ 0 0 6 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.919 111.7 51.3 -56.0 -47.2 21.9 19.0 28.7 20 20 A A H X S+ 0 0 9 -4,-2.7 4,-2.1 -5,-0.2 11,-0.2 0.896 111.0 47.7 -59.6 -44.7 23.9 15.7 28.8 21 21 A D H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.954 115.0 44.3 -63.3 -49.4 25.4 16.6 32.1 22 22 A T H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.915 112.0 54.4 -61.5 -42.4 22.0 17.6 33.7 23 23 A Y H X>S+ 0 0 10 -4,-3.1 4,-2.6 1,-0.2 5,-0.6 0.885 108.5 48.0 -59.8 -42.0 20.4 14.5 32.1 24 24 A Q H X5S+ 0 0 86 -4,-2.1 4,-1.9 4,-0.2 -1,-0.2 0.915 110.7 51.8 -67.0 -41.5 22.9 12.2 33.7 25 25 A K H <5S+ 0 0 160 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.8 36.1 -62.5 -36.9 22.5 13.9 37.1 26 26 A E H <5S+ 0 0 115 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.801 138.5 11.3 -88.1 -32.0 18.7 13.5 37.0 27 27 A T H <5S- 0 0 64 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.502 88.3-122.9-125.0 -12.3 18.3 10.1 35.3 28 28 A G << + 0 0 31 -4,-1.9 -4,-0.2 -5,-0.6 -3,-0.1 0.245 63.7 139.9 85.9 -19.5 21.8 8.5 35.2 29 29 A N - 0 0 15 -6,-0.5 2,-0.6 -28,-0.1 -1,-0.3 -0.383 46.0-139.4 -59.2 140.2 21.6 8.1 31.4 30 30 A K E -a 3 0A 92 -28,-3.2 -26,-3.4 -3,-0.1 2,-0.6 -0.905 19.8-176.8-111.7 119.4 24.9 8.9 29.8 31 31 A V E -a 4 0A 15 -2,-0.6 2,-0.6 -11,-0.2 -26,-0.2 -0.971 7.9-164.3-114.2 114.5 25.1 11.0 26.6 32 32 A N E -a 5 0A 89 -28,-2.4 -26,-2.6 -2,-0.6 2,-0.5 -0.906 8.3-166.4 -99.2 122.7 28.6 11.4 25.1 33 33 A Y E -a 6 0A 33 -2,-0.6 2,-0.6 -28,-0.2 -26,-0.2 -0.956 6.6-160.7-117.5 123.3 28.7 14.1 22.6 34 34 A Q E -a 7 0A 76 -28,-2.5 -26,-2.6 -2,-0.5 2,-1.3 -0.892 10.7-147.7-104.5 115.3 31.7 14.6 20.2 35 35 A G E +a 8 0A 46 -2,-0.6 -26,-0.2 -28,-0.2 -25,-0.1 -0.647 43.1 142.0 -81.3 94.8 32.1 18.0 18.6 36 36 A I - 0 0 61 -28,-1.3 4,-0.4 -2,-1.3 -27,-0.2 0.362 66.4 -91.3-115.3 4.7 33.7 17.0 15.2 37 37 A G > - 0 0 0 -29,-2.5 4,-2.3 2,-0.1 -1,-0.2 0.050 41.8 -84.4 95.3 148.8 31.9 19.5 12.9 38 38 A S H > S+ 0 0 1 -30,-0.3 4,-2.5 1,-0.2 5,-0.3 0.878 127.2 56.2 -56.7 -40.1 28.6 19.0 11.0 39 39 A S H > S+ 0 0 47 99,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.933 110.2 44.8 -59.5 -44.3 30.4 17.2 8.1 40 40 A G H > S+ 0 0 20 98,-0.5 4,-2.9 -4,-0.4 -1,-0.2 0.872 110.9 55.7 -65.2 -40.3 31.9 14.7 10.5 41 41 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 13,-0.3 -2,-0.2 0.903 109.2 44.6 -59.6 -44.6 28.5 14.3 12.2 42 42 A V H X S+ 0 0 25 -4,-2.5 4,-2.0 12,-0.2 -2,-0.2 0.907 114.4 50.9 -66.8 -40.3 26.7 13.4 8.9 43 43 A K H X S+ 0 0 144 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.939 111.4 47.4 -62.2 -46.6 29.6 11.1 8.0 44 44 A Q H <>S+ 0 0 39 -4,-2.9 5,-2.1 2,-0.2 6,-0.6 0.894 111.0 49.2 -64.4 -43.4 29.4 9.3 11.4 45 45 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.928 110.5 51.0 -66.4 -38.4 25.7 8.8 11.4 46 46 A I H 3<5S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.891 111.1 48.6 -65.3 -34.6 25.7 7.3 7.9 47 47 A A T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.383 111.4-123.3 -84.0 -0.2 28.4 4.9 8.8 48 48 A N T < 5S+ 0 0 112 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.829 72.5 130.4 60.6 36.8 26.5 3.9 12.0 49 49 A T S - 0 0 67 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.321 27.6-108.4 -66.8 158.3 17.3 17.7 1.8 61 61 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.891 122.5 49.9 -54.6 -37.7 14.2 15.5 2.0 62 62 A E H > S+ 0 0 136 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 109.8 48.1 -68.7 -43.0 15.6 13.4 -0.8 63 63 A K H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.917 112.5 49.9 -62.9 -42.8 19.1 13.0 0.8 64 64 A L H X>S+ 0 0 17 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.950 112.5 47.8 -60.8 -45.1 17.4 12.0 4.1 65 65 A A H ><5S+ 0 0 63 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.888 110.0 51.9 -63.9 -40.4 15.2 9.5 2.1 66 66 A Q H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.2 39.5 -63.5 -35.0 18.2 8.1 0.2 67 67 A E H 3<5S- 0 0 65 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.408 108.2-121.1 -95.6 0.2 20.1 7.5 3.5 68 68 A G T <<5 + 0 0 27 -4,-0.7 194,-2.6 -3,-0.7 195,-0.5 0.837 66.6 140.2 62.0 33.5 17.1 6.3 5.6 69 69 A L E < -D 261 0A 3 -5,-2.5 2,-0.4 192,-0.2 192,-0.2 -0.713 43.0-152.5-109.5 160.4 17.6 9.2 8.0 70 70 A F E -D 260 0A 18 190,-2.5 190,-2.1 -2,-0.3 2,-0.4 -0.972 13.2-158.1-127.4 141.2 15.2 11.5 9.9 71 71 A Q E +D 259 0A 11 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.965 11.6 176.6-127.1 139.3 16.2 15.0 10.9 72 72 A F E -D 258 0A 0 186,-1.7 186,-2.3 -2,-0.4 2,-0.1 -0.999 27.6-118.9-141.2 139.4 14.8 17.3 13.6 73 73 A P E -D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.465 23.2-178.1 -76.1 152.9 15.8 20.8 14.9 74 74 A T E - 0 0 3 182,-2.0 222,-0.6 1,-0.4 2,-0.3 0.795 56.3 -11.5-115.9 -53.3 16.9 21.4 18.5 75 75 A V E - E 0 295A 1 181,-0.3 181,-0.7 220,-0.1 2,-0.5 -0.863 58.4-115.0-144.7 173.3 17.7 25.0 19.3 76 76 A I E +DE 255 294A 3 218,-2.6 218,-3.1 -2,-0.3 179,-0.2 -0.985 38.4 167.1-120.0 123.0 18.3 28.4 17.6 77 77 A G E -D 254 0A 0 177,-2.7 177,-1.9 -2,-0.5 2,-0.3 -0.609 23.9-124.9-121.4-172.6 21.7 30.0 17.8 78 78 A G E -D 253 0A 0 175,-0.2 118,-2.8 -2,-0.2 2,-0.5 -0.978 8.2-133.6-141.7 148.2 23.6 32.8 16.2 79 79 A V E -F 195 0B 0 173,-3.5 2,-0.3 -2,-0.3 173,-0.2 -0.877 30.4-177.4-100.4 132.5 26.8 33.3 14.3 80 80 A V E -F 194 0B 0 114,-3.2 114,-2.4 -2,-0.5 2,-0.8 -0.838 31.6-114.9-128.6 160.1 28.8 36.3 15.4 81 81 A L E -F 193 0B 0 -2,-0.3 126,-1.4 126,-0.2 2,-0.3 -0.890 29.8-157.4 -99.0 103.3 32.1 37.9 14.3 82 82 A A E -FG 192 206B 0 110,-3.0 110,-2.3 -2,-0.8 2,-0.3 -0.674 20.3-174.7 -78.2 134.4 34.6 37.5 17.2 83 83 A V E -FG 191 205B 9 122,-2.6 122,-0.8 -2,-0.3 2,-0.4 -0.925 33.5-152.9-134.2 162.0 37.3 40.2 16.9 84 84 A N + 0 0 50 106,-2.1 105,-3.2 -2,-0.3 106,-0.2 -0.865 35.9 159.1-133.3 84.5 40.5 41.3 18.5 85 85 A I > - 0 0 12 -2,-0.4 3,-1.2 3,-0.2 2,-0.1 -0.977 43.2-113.4-117.6 124.2 40.8 45.0 17.7 86 86 A P T 3 S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 42,-0.1 -0.309 95.9 2.8 -56.5 123.2 43.0 47.4 19.8 87 87 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -2,-0.1 37,-0.1 0.099 100.8 119.6 88.3 -20.4 41.0 50.0 21.8 88 88 A L < - 0 0 24 -3,-1.2 -1,-0.2 35,-0.0 2,-0.2 -0.586 54.0-141.2 -86.0 140.4 37.5 48.7 20.8 89 89 A K >> - 0 0 150 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.631 39.2 -85.5 -91.4 154.5 34.9 47.4 23.3 90 90 A S T 34 S+ 0 0 65 1,-0.3 117,-0.2 -2,-0.2 -1,-0.1 -0.318 117.1 17.7 -62.6 136.8 32.7 44.4 22.5 91 91 A G T 34 S+ 0 0 17 115,-3.2 -1,-0.3 2,-0.1 116,-0.1 0.455 97.2 104.8 82.5 -2.4 29.7 45.4 20.5 92 92 A E T <4 + 0 0 81 -3,-2.2 2,-0.2 114,-0.2 -2,-0.1 0.912 63.8 74.7 -74.4 -47.0 31.2 48.8 19.6 93 93 A L < - 0 0 3 -4,-0.5 115,-3.3 113,-0.3 2,-0.4 -0.483 63.7-162.1 -73.5 138.1 32.0 47.8 15.9 94 94 A V E +j 208 0C 18 113,-0.2 2,-0.3 -2,-0.2 115,-0.2 -0.952 11.0 176.2-120.4 131.2 29.3 47.6 13.3 95 95 A L E -j 209 0C 0 113,-1.4 115,-1.2 -2,-0.4 2,-0.3 -0.913 15.5-148.5-128.9 151.9 29.7 45.8 10.0 96 96 A D > - 0 0 44 -2,-0.3 4,-2.3 113,-0.2 5,-0.2 -0.765 34.1 -98.1-111.5 173.4 27.2 45.2 7.2 97 97 A G H > S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.872 117.4 49.3 -59.8 -45.9 27.1 42.2 4.9 98 98 A K H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 114.8 44.0 -62.4 -45.1 28.8 43.6 1.9 99 99 A T H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.880 112.3 52.9 -68.9 -38.5 31.8 45.0 3.9 100 100 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 110.5 48.2 -60.5 -46.1 32.1 41.8 5.9 101 101 A G H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.904 109.4 52.6 -60.9 -40.1 32.2 39.9 2.6 102 102 A D H X>S+ 0 0 11 -4,-2.2 5,-2.0 2,-0.2 6,-1.2 0.848 108.3 51.9 -66.4 -29.7 34.9 42.3 1.3 103 103 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.960 111.9 44.8 -69.3 -47.5 36.8 41.6 4.4 104 104 A Y H 3<5S+ 0 0 0 -4,-2.5 66,-0.6 1,-0.3 -2,-0.2 0.692 108.8 58.3 -70.7 -18.7 36.5 37.8 3.8 105 105 A L H 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.626 115.0-117.6 -82.5 -14.3 37.4 38.4 0.1 106 106 A G T <<5S+ 0 0 10 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.570 84.8 116.7 87.9 8.9 40.7 40.0 1.2 107 107 A K < + 0 0 104 -5,-2.0 2,-0.6 -6,-0.2 -4,-0.2 0.769 68.6 55.4 -77.8 -32.0 39.7 43.4 -0.3 108 108 A I + 0 0 10 -6,-1.2 -2,-0.2 -9,-0.1 -1,-0.1 -0.944 62.3 169.4-106.5 116.3 39.7 45.2 3.0 109 109 A K + 0 0 126 -2,-0.6 21,-2.5 1,-0.1 2,-0.3 0.632 54.8 51.8-103.6 -21.7 43.1 44.8 4.8 110 110 A K B > S-L 129 0D 76 19,-0.3 3,-1.4 1,-0.1 19,-0.2 -0.923 72.1-129.3-124.0 148.8 43.1 47.2 7.7 111 111 A W T 3 S+ 0 0 0 17,-2.5 16,-0.2 -2,-0.3 18,-0.1 0.749 109.7 53.9 -65.5 -24.5 40.6 47.9 10.5 112 112 A D T 3 S+ 0 0 61 14,-0.4 -1,-0.3 16,-0.2 15,-0.1 0.172 78.7 145.2 -97.1 20.0 40.5 51.6 9.8 113 113 A D X> - 0 0 17 -3,-1.4 4,-2.3 1,-0.1 3,-1.6 -0.319 63.4-114.4 -59.0 138.3 39.6 51.1 6.1 114 114 A E H 3> S+ 0 0 112 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.781 116.0 57.1 -41.5 -42.7 37.3 53.8 4.7 115 115 A A H 3> S+ 0 0 30 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.868 111.0 42.4 -63.1 -39.1 34.5 51.2 4.3 116 116 A I H X> S+ 0 0 0 -3,-1.6 4,-0.8 -6,-0.2 3,-0.7 0.925 110.9 55.5 -74.2 -43.7 34.6 50.3 8.0 117 117 A A H >< S+ 0 0 38 -4,-2.3 3,-0.6 1,-0.2 6,-0.3 0.862 103.7 55.6 -55.9 -39.0 35.0 53.9 9.2 118 118 A K H 3< S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 106.6 48.8 -66.2 -31.3 31.8 54.9 7.3 119 119 A L H << S+ 0 0 45 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.625 118.5 44.3 -80.0 -14.2 29.7 52.3 9.1 120 120 A N S X< S- 0 0 9 -4,-0.8 3,-2.2 -3,-0.6 -1,-0.2 -0.458 77.5-174.6-131.3 62.9 31.2 53.5 12.3 121 121 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.275 77.3 15.6 -61.1 135.4 31.2 57.3 12.4 122 122 A G T 3 S+ 0 0 92 1,-0.3 2,-0.5 -5,-0.1 -5,-0.0 0.410 94.8 126.0 82.7 -6.2 32.9 58.7 15.4 123 123 A L < - 0 0 33 -3,-2.2 2,-0.5 -6,-0.3 -1,-0.3 -0.773 60.5-134.4 -90.8 123.7 34.6 55.4 16.2 124 124 A K - 0 0 148 -2,-0.5 -12,-0.0 -3,-0.1 -1,-0.0 -0.696 28.2-166.9 -76.1 117.8 38.4 55.6 16.5 125 125 A L - 0 0 26 -2,-0.5 2,-0.1 -13,-0.1 -13,-0.1 -0.919 13.6-128.1-112.0 138.9 39.7 52.7 14.5 126 126 A P - 0 0 26 0, 0.0 2,-1.0 0, 0.0 -14,-0.4 -0.466 19.9-119.4 -82.4 156.5 43.3 51.4 14.6 127 127 A S + 0 0 96 -16,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.276 65.0 145.3 -87.8 48.2 45.5 50.9 11.6 128 128 A Q - 0 0 61 -2,-1.0 -17,-2.5 -42,-0.1 -16,-0.2 -0.683 55.2-112.5 -89.1 137.9 45.8 47.2 12.5 129 129 A N B -L 110 0D 120 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.3 -0.466 31.0-119.6 -66.1 143.8 45.9 44.5 9.8 130 130 A I - 0 0 23 -21,-2.5 2,-0.7 -2,-0.1 60,-0.2 -0.739 21.9-157.9 -86.6 126.8 42.8 42.3 9.7 131 131 A A E -h 190 0B 28 58,-2.2 60,-1.8 -2,-0.4 2,-0.2 -0.913 15.1-148.9-108.2 96.0 43.8 38.7 10.4 132 132 A V E -h 191 0B 8 -2,-0.7 40,-2.7 58,-0.2 2,-0.4 -0.508 13.4-168.5 -71.5 132.2 41.0 36.7 8.9 133 133 A V E +hi 192 172B 0 58,-2.4 60,-0.7 38,-0.3 2,-0.3 -0.975 13.1 163.1-122.9 136.5 40.2 33.4 10.5 134 134 A R E - i 0 173B 58 38,-2.8 40,-2.8 -2,-0.4 2,-0.2 -0.857 43.5 -68.7-142.3 173.1 37.8 30.8 9.0 135 135 A R E - i 0 174B 4 -2,-0.3 40,-0.2 38,-0.2 4,-0.1 -0.494 26.2-170.3 -77.0 137.0 37.1 27.1 9.5 136 136 A A S S+ 0 0 60 38,-2.9 39,-0.2 -2,-0.2 -1,-0.1 0.862 72.8 62.2 -83.5 -42.4 39.6 24.3 8.5 137 137 A D S S- 0 0 33 37,-0.6 2,-0.4 1,-0.1 37,-0.1 -0.400 104.9 -83.0 -86.8 160.0 37.1 21.4 9.0 138 138 A G - 0 0 17 -102,-0.1 -99,-1.1 -2,-0.1 -98,-0.5 -0.504 65.4-170.9 -63.5 120.6 33.8 20.7 7.2 139 139 A S > - 0 0 0 25,-2.3 4,-1.7 -2,-0.4 24,-0.1 -0.936 45.8-157.6-134.6 136.3 31.4 22.9 9.1 140 140 A G H > S+ 0 0 0 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.830 105.7 56.5 -69.8 -31.6 27.7 23.7 9.6 141 141 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.900 105.6 50.2 -67.8 -37.8 28.8 27.2 10.9 142 142 A S H > S+ 0 0 0 2,-0.2 4,-3.0 22,-0.2 21,-0.4 0.886 108.7 53.8 -63.8 -38.4 30.7 27.7 7.6 143 143 A F H X S+ 0 0 66 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.955 112.6 42.3 -59.7 -53.1 27.5 26.7 5.7 144 144 A V H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.937 116.9 48.2 -59.3 -49.4 25.4 29.3 7.6 145 145 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.913 115.0 43.0 -59.7 -47.7 28.1 32.0 7.3 146 146 A T H X S+ 0 0 0 -4,-3.0 4,-2.2 17,-0.3 -1,-0.2 0.810 110.0 57.6 -71.7 -30.5 28.7 31.5 3.6 147 147 A S H X S+ 0 0 22 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.913 110.8 45.2 -62.8 -42.1 25.0 31.2 2.9 148 148 A Y H >X S+ 0 0 2 -4,-2.2 4,-1.2 2,-0.2 3,-1.1 0.957 111.3 51.1 -65.0 -51.0 24.7 34.7 4.5 149 149 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 8,-0.4 0.859 104.5 57.5 -55.8 -38.6 27.7 36.1 2.6 150 150 A A H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 7,-0.2 0.812 105.7 51.9 -64.3 -27.7 26.3 35.0 -0.8 151 151 A K H << S+ 0 0 90 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.789 120.5 30.6 -77.2 -31.0 23.1 37.0 -0.0 152 152 A V H < S+ 0 0 36 -4,-1.2 2,-0.4 -3,-0.3 -2,-0.2 0.490 118.2 48.3-109.0 -6.5 24.9 40.2 0.7 153 153 A N X - 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 -0.918 57.5-166.3-141.3 107.8 28.1 40.2 -1.4 154 154 A E H > S+ 0 0 158 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.863 90.8 55.8 -61.4 -39.5 27.8 39.3 -5.1 155 155 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.915 110.5 45.7 -61.7 -43.2 31.5 38.8 -5.6 156 156 A W H >>S+ 0 0 0 -7,-0.2 5,-2.8 2,-0.2 4,-2.6 0.958 113.2 50.4 -61.1 -52.7 31.5 36.2 -2.7 157 157 A K H <5S+ 0 0 121 -4,-2.5 -2,-0.2 -8,-0.4 -1,-0.2 0.939 116.4 41.0 -51.3 -49.3 28.4 34.6 -4.2 158 158 A N H <5S+ 0 0 113 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 126.6 28.1 -75.4 -28.9 29.9 34.3 -7.6 159 159 A N H <5S+ 0 0 125 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.784 136.2 15.8-104.1 -32.4 33.4 33.3 -6.8 160 160 A V T <5S+ 0 0 24 -4,-2.6 7,-0.3 -5,-0.4 -3,-0.2 0.761 84.5 178.2-108.1 -48.2 33.3 31.4 -3.5 161 161 A G < - 0 0 17 -5,-2.8 2,-0.3 -6,-0.1 -11,-0.1 -0.340 35.3 -45.4 80.6-152.2 29.7 30.5 -3.0 162 162 A T + 0 0 66 -5,-0.1 2,-0.3 -2,-0.1 -19,-0.1 -0.904 67.3 111.5-125.2 146.2 28.1 28.5 -0.2 163 163 A G S S- 0 0 14 -21,-0.4 -17,-0.3 -2,-0.3 3,-0.1 -0.930 70.3 -97.3 168.7 168.2 29.1 25.3 1.5 164 164 A S S S+ 0 0 31 -2,-0.3 -25,-2.3 1,-0.3 2,-0.3 0.682 121.4 27.6 -74.3 -23.6 30.3 23.5 4.6 165 165 A T S S+ 0 0 103 -27,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.988 80.0 168.6-137.8 136.7 33.8 23.6 2.9 166 166 A V - 0 0 22 -2,-0.3 2,-1.3 -3,-0.1 -5,-0.1 -0.874 46.7 -98.3-145.2 164.0 34.7 26.4 0.5 167 167 A K - 0 0 182 -7,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.759 47.4-145.9 -88.6 88.9 37.8 27.8 -1.3 168 168 A W - 0 0 28 -2,-1.3 3,-0.1 1,-0.2 -63,-0.1 -0.354 8.8-146.7 -60.6 125.1 38.5 30.6 1.1 169 169 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.911 79.9 -16.8 -57.8 -39.8 40.0 33.6 -0.6 170 170 A I S S+ 0 0 56 -66,-0.6 -64,-0.1 2,-0.1 2,-0.1 -0.957 85.5 96.8-153.2 172.3 42.0 34.3 2.6 171 171 A G - 0 0 21 -2,-0.3 -38,-0.3 -3,-0.1 2,-0.2 -0.004 60.8 -91.8 114.7 140.4 42.2 33.4 6.2 172 172 A L E -i 133 0B 85 -40,-2.7 -38,-2.8 1,-0.1 2,-0.6 -0.559 44.9-116.4 -81.1 144.1 43.8 31.0 8.7 173 173 A G E -i 134 0B 27 -2,-0.2 2,-0.4 -40,-0.2 -38,-0.2 -0.728 27.9-170.6 -91.9 117.9 42.0 27.8 9.3 174 174 A G E -i 135 0B 0 -40,-2.8 -38,-2.9 -2,-0.6 2,-0.7 -0.829 24.1-125.0-100.4 142.4 40.8 27.1 12.9 175 175 A K S > S- 0 0 172 -2,-0.4 4,-1.0 -40,-0.2 -40,-0.1 -0.807 72.3 -21.7 -91.1 113.1 39.4 23.6 13.8 176 176 A G H > S- 0 0 4 -2,-0.7 4,-1.7 2,-0.2 5,-0.2 -0.014 93.9 -66.8 78.1 169.3 35.9 23.8 15.2 177 177 A N H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 138.5 51.8 -62.2 -37.3 34.2 26.8 16.8 178 178 A D H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 104.1 57.6 -68.9 -30.7 36.6 26.6 19.6 179 179 A G H X S+ 0 0 15 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.909 109.0 44.7 -64.7 -42.1 39.5 26.6 17.2 180 180 A I H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.934 111.9 52.7 -68.0 -41.5 38.4 29.9 15.7 181 181 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 109.6 50.0 -57.3 -44.3 37.8 31.3 19.2 182 182 A A H X S+ 0 0 28 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.916 110.6 49.3 -62.0 -41.5 41.3 30.3 20.2 183 183 A F H X S+ 0 0 64 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.951 109.5 50.8 -64.2 -47.8 42.8 32.0 17.1 184 184 A V H < S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.897 109.0 53.2 -58.5 -38.2 40.9 35.2 17.7 185 185 A Q H < S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.922 115.7 37.3 -65.7 -41.2 42.2 35.3 21.2 186 186 A R H < S+ 0 0 153 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.591 105.5 76.2 -90.7 -4.8 45.9 35.0 20.3 187 187 A L S >< S- 0 0 37 -4,-1.6 3,-2.2 -3,-0.2 -56,-0.2 -0.862 71.1-144.8-114.6 100.8 45.8 37.1 17.2 188 188 A P T 3 S+ 0 0 78 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.425 92.5 21.6 -57.6 131.4 45.7 41.0 17.5 189 189 A G T 3 S+ 0 0 0 -105,-3.2 -58,-2.2 1,-0.2 -104,-0.2 0.442 94.1 147.7 88.0 1.1 43.5 42.3 14.6 190 190 A A E < - h 0 131B 0 -3,-2.2 -106,-2.1 -6,-0.3 2,-0.4 -0.264 29.8-170.4 -72.7 154.1 41.7 38.9 14.1 191 191 A I E +Fh 83 132B 0 -60,-1.8 -58,-2.4 -108,-0.2 2,-0.3 -0.970 15.8 163.9-137.2 131.4 38.2 38.4 12.9 192 192 A G E -Fh 82 133B 0 -110,-2.3 -110,-3.0 -2,-0.4 2,-0.4 -0.977 34.5-121.3-151.8 142.1 36.6 35.0 13.0 193 193 A Y E +F 81 0B 0 -60,-0.7 2,-0.3 -2,-0.3 -112,-0.2 -0.706 41.1 158.2 -89.0 131.6 33.1 33.7 12.8 194 194 A V E -F 80 0B 0 -114,-2.4 -114,-3.2 -2,-0.4 2,-0.1 -0.983 49.0 -90.1-146.8 156.6 31.8 31.6 15.7 195 195 A E E >> -F 79 0B 0 -2,-0.3 3,-1.5 -116,-0.2 4,-0.7 -0.451 54.5-107.2 -61.5 142.5 28.5 30.5 17.4 196 196 A Y H >> S+ 0 0 7 -118,-2.8 4,-2.3 1,-0.3 3,-1.5 0.782 115.7 60.9 -43.8 -50.1 27.7 33.2 20.0 197 197 A W H 3> S+ 0 0 61 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.863 98.9 58.3 -49.2 -41.8 28.6 31.1 23.0 198 198 A Y H <4 S+ 0 0 14 -3,-1.5 4,-0.3 2,-0.2 -1,-0.3 0.764 110.4 42.3 -62.8 -28.1 32.2 30.8 21.8 199 199 A A H X<>S+ 0 0 0 -3,-1.5 5,-2.7 -4,-0.7 3,-0.8 0.941 118.5 44.1 -80.0 -54.2 32.6 34.5 21.8 200 200 A K H ><5S+ 0 0 94 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.896 115.6 45.6 -57.8 -49.5 30.8 35.1 25.1 201 201 A Q T 3<5S+ 0 0 89 -4,-3.3 -1,-0.2 1,-0.3 -3,-0.2 0.625 114.6 48.3 -73.7 -12.5 32.5 32.3 27.1 202 202 A N T < 5S- 0 0 48 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.229 111.4-120.7-108.3 9.4 35.9 33.1 25.8 203 203 A N T < 5 + 0 0 148 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.891 57.1 159.4 50.8 45.0 35.4 36.9 26.6 204 204 A L < - 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