==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-SEP-12 4GXN . COMPND 2 MOLECULE: PUTATIVE LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR T.P.KORMAN,J.U.BOWIE . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 0 1 0 0 3 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 107 0, 0.0 35,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 161.2 -0.3 25.1 -13.4 2 3 A T - 0 0 12 1,-0.1 35,-0.2 283,-0.1 279,-0.1 -0.387 360.0-133.5 -71.0 144.2 2.8 23.0 -14.2 3 4 A K S S+ 0 0 141 277,-0.1 -1,-0.1 -2,-0.1 68,-0.1 0.922 94.9 46.4 -58.8 -46.5 3.1 21.3 -17.5 4 5 A Y S S- 0 0 18 281,-2.1 68,-0.2 65,-0.1 33,-0.1 -0.784 99.2-101.5-104.9 143.2 4.2 18.1 -15.8 5 6 A P - 0 0 5 0, 0.0 68,-2.8 0, 0.0 2,-0.4 -0.250 33.3-118.7 -65.7 148.9 2.4 16.5 -12.8 6 7 A I E -ab 38 73A 0 31,-2.8 33,-2.5 66,-0.2 2,-0.5 -0.712 22.5-162.9 -89.8 133.4 3.8 16.9 -9.3 7 8 A V E -ab 39 74A 0 66,-2.8 68,-2.5 -2,-0.4 2,-0.4 -0.952 6.3-154.0-120.6 108.3 4.8 13.8 -7.4 8 9 A L E -ab 40 75A 0 31,-3.1 33,-3.4 -2,-0.5 2,-0.4 -0.679 19.4-164.6 -76.6 131.3 5.3 14.2 -3.7 9 10 A V E +ab 41 76A 0 66,-2.2 68,-1.6 -2,-0.4 2,-0.3 -0.980 19.2 148.5-130.0 128.5 7.7 11.5 -2.4 10 11 A H E -a 42 0A 4 31,-2.0 33,-3.3 -2,-0.4 2,-0.2 -0.977 40.1-112.8-147.1 158.7 8.4 10.2 1.1 11 12 A G E S+a 43 0A 4 66,-0.4 33,-0.2 -2,-0.3 69,-0.1 -0.515 80.2 73.7 -82.3 164.3 9.5 7.1 2.9 12 13 A L > - 0 0 72 31,-1.7 3,-1.6 -2,-0.2 4,-0.3 0.889 54.7-164.8 88.0 75.4 7.1 5.3 5.3 13 14 A A T 3 S+ 0 0 53 30,-0.7 3,-0.4 1,-0.3 4,-0.2 0.829 87.4 50.4 -54.8 -37.5 4.5 3.6 3.0 14 15 A G T 3> S+ 0 0 30 1,-0.2 4,-2.8 29,-0.1 5,-0.3 0.384 78.0 104.6 -87.0 3.3 2.2 3.0 6.0 15 16 A F H <>>S+ 0 0 18 -3,-1.6 4,-2.9 1,-0.2 5,-0.6 0.890 79.1 48.8 -52.2 -50.6 2.2 6.6 7.4 16 17 A N H >5S+ 0 0 85 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.906 117.0 41.1 -62.3 -42.9 -1.2 7.6 6.1 17 18 A E H 45S+ 0 0 175 -4,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.950 121.2 40.5 -67.9 -51.4 -3.0 4.5 7.5 18 19 A I H <5S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.875 126.6 32.8 -68.1 -41.6 -1.1 4.4 10.8 19 20 A V H <5S- 0 0 25 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.859 99.4-130.6 -86.2 -40.8 -1.1 8.1 11.6 20 21 A G S <> S- 0 0 5 -16,-0.0 3,-1.9 -14,-0.0 4,-0.7 -0.638 101.5-144.2 -86.3 78.3 3.0 16.2 3.5 25 26 A Y T 34 - 0 0 76 -2,-1.6 -2,-0.1 231,-1.5 236,-0.0 -0.238 68.4 -19.8 -60.7 114.2 0.3 17.6 5.8 26 27 A G T 3> S+ 0 0 24 -2,-0.2 4,-1.4 1,-0.1 -1,-0.3 0.449 109.1 109.0 74.7 3.4 -2.1 19.8 3.9 27 28 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 5,-0.2 0.906 71.6 48.7 -85.5 -43.8 0.3 20.3 1.0 28 29 A A H X S+ 0 0 15 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.917 112.2 52.5 -61.6 -43.0 -1.3 18.2 -1.8 29 30 A D H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 109.5 48.5 -53.1 -51.3 -4.7 19.9 -1.1 30 31 A A H X S+ 0 0 16 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.910 110.9 50.2 -59.5 -44.2 -3.0 23.4 -1.4 31 32 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.5 0.884 107.8 52.6 -63.9 -39.9 -1.3 22.5 -4.7 32 33 A R H ><5S+ 0 0 121 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.826 102.0 60.0 -66.3 -32.3 -4.6 21.2 -6.2 33 34 A Q H 3<5S+ 0 0 157 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 101.7 54.2 -64.1 -30.6 -6.4 24.4 -5.4 34 35 A D T 3<5S- 0 0 65 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.268 127.0-103.6 -85.9 9.9 -3.8 26.3 -7.5 35 36 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.517 73.7 141.0 86.9 6.7 -4.7 23.9 -10.4 36 37 A H < - 0 0 11 -5,-1.8 2,-0.6 -35,-0.1 -1,-0.3 -0.542 54.7-123.5 -79.7 147.0 -1.7 21.6 -10.3 37 38 A Q - 0 0 103 -35,-0.2 -31,-2.8 -2,-0.2 2,-0.4 -0.840 39.8-172.0 -88.0 122.4 -2.1 17.8 -10.9 38 39 A V E +a 6 0A 3 -2,-0.6 2,-0.3 -33,-0.2 -31,-0.2 -0.956 16.8 173.9-128.1 136.4 -0.6 16.2 -7.8 39 40 A F E -a 7 0A 57 -33,-2.5 -31,-3.1 -2,-0.4 2,-0.5 -0.945 19.8-139.3-135.5 156.3 0.2 12.6 -6.7 40 41 A T E -a 8 0A 56 -2,-0.3 2,-0.6 -33,-0.2 -31,-0.2 -0.976 5.4-161.7-124.3 124.1 1.9 11.1 -3.7 41 42 A A E -a 9 0A 0 -33,-3.4 -31,-2.0 -2,-0.5 2,-0.7 -0.925 7.0-166.3-102.7 112.7 4.4 8.2 -3.7 42 43 A S E -a 10 0A 42 -2,-0.6 -31,-0.2 -33,-0.2 2,-0.1 -0.880 17.6-159.7-101.8 106.4 4.8 6.6 -0.3 43 44 A L E -a 11 0A 3 -33,-3.3 -31,-1.7 -2,-0.7 -30,-0.7 -0.439 25.9 -90.2 -95.6 158.3 7.9 4.4 -0.4 44 45 A S - 0 0 44 -32,-0.2 3,-0.3 -33,-0.2 -1,-0.1 -0.486 33.8-167.3 -67.2 118.7 9.1 1.5 1.8 45 46 A A S S+ 0 0 7 -2,-0.4 2,-1.0 1,-0.2 112,-0.2 0.780 73.3 69.4 -78.6 -28.6 11.2 2.8 4.6 46 47 A F S S+ 0 0 132 110,-0.1 2,-0.3 109,-0.0 -1,-0.2 -0.299 95.9 50.5 -96.3 51.4 12.8 -0.4 5.8 47 48 A N S S- 0 0 89 -2,-1.0 110,-0.2 -3,-0.3 5,-0.0 -0.900 93.2 -54.3-162.1-173.5 15.1 -1.2 2.9 48 49 A S > - 0 0 32 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.189 41.7-116.6 -73.4 165.8 17.8 0.4 0.7 49 50 A N H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 37,-0.1 0.853 116.2 55.8 -67.0 -36.7 17.6 3.6 -1.4 50 51 A E H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 105.5 51.5 -67.5 -34.6 18.0 1.7 -4.6 51 52 A V H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.5 48.5 -68.1 -40.4 14.9 -0.5 -3.7 52 53 A R H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.840 109.2 54.8 -64.5 -34.7 12.9 2.7 -3.0 53 54 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.899 109.4 45.7 -64.4 -43.2 14.2 4.0 -6.4 54 55 A K H X S+ 0 0 122 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.877 111.9 52.6 -65.1 -40.7 12.9 0.9 -8.2 55 56 A Q H X S+ 0 0 68 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.908 110.8 47.3 -60.8 -43.0 9.6 1.2 -6.3 56 57 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.821 107.5 55.8 -69.5 -35.0 9.3 4.9 -7.4 57 58 A W H X S+ 0 0 39 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.892 108.5 47.9 -63.5 -41.1 10.1 4.0 -11.0 58 59 A Q H X S+ 0 0 111 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.880 112.6 49.1 -65.4 -41.1 7.2 1.5 -11.1 59 60 A F H X S+ 0 0 66 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 113.8 46.5 -58.3 -48.9 4.9 4.2 -9.5 60 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.902 109.9 52.5 -65.7 -43.7 6.1 6.7 -12.1 61 62 A Q H X S+ 0 0 81 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.912 113.3 44.4 -57.2 -45.2 5.6 4.3 -15.1 62 63 A T H X S+ 0 0 70 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.869 114.6 50.2 -67.9 -37.3 2.1 3.5 -13.9 63 64 A L H X S+ 0 0 15 -4,-2.3 4,-1.6 2,-0.2 6,-0.3 0.883 109.1 50.0 -66.1 -43.3 1.4 7.2 -13.4 64 65 A L H X S+ 0 0 23 -4,-2.9 4,-2.2 1,-0.2 5,-0.4 0.890 109.7 51.6 -65.1 -41.0 2.7 8.3 -16.8 65 66 A Q H < S+ 0 0 142 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.853 113.5 45.6 -58.6 -37.0 0.5 5.7 -18.5 66 67 A E H < S+ 0 0 149 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.699 122.4 34.0 -84.6 -21.9 -2.5 7.0 -16.5 67 68 A T H < S- 0 0 34 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.2 0.650 91.0-135.2-101.3 -21.8 -1.8 10.7 -17.2 68 69 A Q < + 0 0 164 -4,-2.2 2,-0.1 1,-0.3 -3,-0.1 0.674 57.4 147.0 58.3 21.5 -0.3 10.6 -20.7 69 70 A A - 0 0 25 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.1 -0.485 48.6-145.6 -78.4 156.3 2.2 13.0 -19.2 70 71 A K S S+ 0 0 126 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.800 75.2 9.0 -91.9 -35.3 5.8 12.8 -20.6 71 72 A K - 0 0 49 -68,-0.1 2,-0.3 24,-0.1 24,-0.3 -0.850 65.0-130.8-139.7 170.9 7.6 13.6 -17.3 72 73 A V E - c 0 95A 0 22,-1.3 24,-1.9 -2,-0.3 25,-1.3 -0.969 12.6-136.0-127.3 145.5 7.1 14.2 -13.6 73 74 A N E -bc 6 97A 0 -68,-2.8 -66,-2.8 -2,-0.3 2,-0.4 -0.897 29.0-151.5 -95.4 106.9 8.2 17.0 -11.2 74 75 A F E -bc 7 98A 0 23,-3.1 25,-2.3 -2,-0.8 2,-0.4 -0.661 17.2-177.4 -79.7 130.1 9.5 15.2 -8.1 75 76 A I E +bc 8 99A 1 -68,-2.5 -66,-2.2 -2,-0.4 2,-0.2 -0.942 19.7 177.9-120.7 116.0 9.2 17.0 -4.7 76 77 A G E -bc 9 100A 0 23,-2.7 25,-2.0 -2,-0.4 2,-0.3 -0.712 20.0-159.7-121.2 157.7 10.8 14.8 -2.0 77 78 A H E > - c 0 101A 0 -68,-1.6 3,-2.1 -2,-0.2 -66,-0.4 -0.999 62.0 -29.8-137.4 140.7 11.6 14.9 1.7 78 79 A S E 3 S+ c 0 103A 20 23,-1.1 26,-1.5 24,-0.6 4,-0.4 -0.392 139.0 7.5 61.2-117.1 14.0 12.9 3.8 79 80 A Q T >> S+ 0 0 11 -2,-0.4 4,-1.1 1,-0.2 3,-1.1 0.837 119.2 78.3 -56.0 -40.4 14.4 9.6 2.1 80 81 A G H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.764 83.7 57.6 -48.2 -45.9 12.4 10.7 -0.9 81 82 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.831 103.4 53.8 -60.5 -34.7 15.0 12.7 -2.8 82 83 A L H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.4 -2,-0.2 0.930 110.3 46.7 -65.2 -45.1 17.4 9.8 -3.0 83 84 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.885 112.5 50.7 -63.2 -38.9 14.8 7.7 -4.6 84 85 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.856 107.9 53.2 -63.9 -37.7 13.9 10.6 -6.9 85 86 A R H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.825 105.5 54.3 -68.1 -32.8 17.6 10.8 -7.8 86 87 A Y H X S+ 0 0 15 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.941 111.2 44.3 -63.7 -47.8 17.7 7.1 -8.7 87 88 A V H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 -2,-0.2 0.928 114.8 48.3 -64.6 -45.9 14.8 7.6 -11.2 88 89 A A H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.4 49.2 -61.4 -42.3 16.3 10.8 -12.7 89 90 A A H < S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.919 123.2 30.6 -63.3 -46.3 19.7 9.2 -13.1 90 91 A N H < S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.783 133.8 28.6 -86.9 -30.5 18.4 6.0 -14.8 91 92 A Y >< + 0 0 75 -4,-3.4 3,-1.7 -5,-0.3 4,-0.2 -0.454 66.7 157.9-130.9 60.8 15.4 7.4 -16.6 92 93 A P G > + 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.772 68.8 65.1 -58.3 -31.7 16.1 11.1 -17.3 93 94 A D G 3 S+ 0 0 131 1,-0.2 -5,-0.1 -22,-0.1 -2,-0.0 0.662 103.3 47.9 -67.0 -17.4 13.6 11.4 -20.2 94 95 A S G < S+ 0 0 23 -3,-1.7 -22,-1.3 -7,-0.2 2,-0.5 0.355 99.6 77.6-102.3 2.3 10.7 10.8 -17.7 95 96 A V E < +c 72 0A 0 -3,-1.3 -22,-0.2 -24,-0.3 3,-0.1 -0.950 45.1 176.4-122.4 115.3 11.8 13.3 -15.1 96 97 A A E S- 0 0 1 -24,-1.9 94,-2.2 -2,-0.5 2,-0.3 0.906 71.9 -6.8 -78.7 -45.0 11.3 17.1 -15.5 97 98 A S E -cd 73 190A 0 -25,-1.3 -23,-3.1 92,-0.2 2,-0.5 -0.999 47.3-149.3-153.3 150.3 12.7 18.0 -12.0 98 99 A V E -cd 74 191A 0 92,-3.0 94,-2.7 -2,-0.3 2,-0.5 -0.987 18.1-173.0-117.1 116.8 13.9 16.8 -8.7 99 100 A T E -cd 75 192A 0 -25,-2.3 -23,-2.7 -2,-0.5 2,-0.5 -0.964 9.3-156.5-109.4 122.5 13.3 19.1 -5.7 100 101 A S E -cd 76 193A 0 92,-3.1 94,-3.1 -2,-0.5 2,-0.5 -0.856 8.5-172.2-101.6 125.9 14.9 18.0 -2.5 101 102 A I E S-cd 77 194A 3 -25,-2.0 -23,-1.1 -2,-0.5 94,-0.2 -0.953 77.8 -27.4-120.7 108.9 13.4 19.3 0.8 102 103 A N E S+ 0 0 0 92,-1.4 -24,-0.6 -2,-0.5 2,-0.1 0.903 92.8 178.1 52.0 44.7 15.5 18.4 3.8 103 104 A G E -c 78 0A 0 91,-0.4 2,-1.4 135,-0.4 3,-0.2 -0.474 40.5-124.7 -78.7 150.2 16.9 15.4 1.9 104 105 A V > + 0 0 2 -26,-1.5 3,-1.0 1,-0.2 134,-0.2 -0.373 53.6 152.0 -87.2 57.0 19.5 13.1 3.4 105 106 A N T 3 S+ 0 0 0 -2,-1.4 -1,-0.2 132,-0.6 133,-0.2 0.643 77.1 21.8 -73.8 -15.0 21.7 13.7 0.4 106 107 A H T 3 S- 0 0 56 131,-0.4 -1,-0.3 1,-0.3 58,-0.1 0.087 123.3 -86.9-133.1 22.4 25.0 13.1 2.2 107 108 A G < - 0 0 5 -3,-1.0 2,-0.5 130,-0.2 127,-0.4 -0.031 38.5 -88.4 96.0 161.4 23.8 11.0 5.2 108 109 A S > - 0 0 4 50,-2.4 4,-2.2 47,-0.2 52,-0.4 -0.953 15.8-152.5-113.6 123.6 22.4 11.6 8.7 109 110 A E H > S+ 0 0 53 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.791 102.1 55.1 -62.5 -29.5 24.7 12.0 11.7 110 111 A I H > S+ 0 0 1 122,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.882 105.0 51.8 -69.0 -41.5 21.8 10.7 13.9 111 112 A A H > S+ 0 0 1 121,-0.4 4,-1.7 47,-0.2 -2,-0.2 0.923 109.8 50.8 -57.8 -43.3 21.6 7.6 11.7 112 113 A D H X S+ 0 0 47 -4,-2.2 4,-1.5 46,-0.2 -2,-0.2 0.932 110.8 48.3 -59.5 -46.4 25.4 7.2 12.2 113 114 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.843 107.1 55.7 -64.9 -36.5 24.9 7.6 16.0 114 115 A Y H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.848 105.1 52.1 -62.5 -39.1 22.1 5.0 16.1 115 116 A R H X S+ 0 0 90 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.878 109.8 49.3 -62.8 -40.1 24.3 2.4 14.4 116 117 A R H <>S+ 0 0 106 -4,-1.5 5,-2.5 1,-0.2 4,-0.3 0.917 111.5 49.5 -63.4 -42.5 26.9 3.1 17.1 117 118 A I H ><5S+ 0 0 13 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.904 112.0 47.4 -61.5 -46.1 24.3 2.7 19.7 118 119 A M H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.915 114.9 45.9 -67.5 -35.5 22.9 -0.5 18.3 119 120 A R T 3<5S- 0 0 162 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.374 109.2-125.3 -83.3 0.5 26.4 -1.9 17.9 120 121 A K T < 5 + 0 0 171 -3,-1.0 2,-2.3 -4,-0.3 -3,-0.2 0.821 42.4 174.5 58.4 38.9 27.3 -0.8 21.4 121 122 A D < - 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0 0 3 -2,-1.8 2,-0.1 -53,-0.4 13,-0.0 -0.984 60.2-125.4-141.3 142.8 12.3 24.8 11.2 251 253 A D > - 0 0 0 -2,-0.3 4,-1.3 -54,-0.1 -20,-0.2 -0.267 48.3 -86.1 -78.8 174.5 13.0 21.2 12.3 252 254 A H T 4 S+ 0 0 5 -22,-2.4 3,-0.2 1,-0.2 -21,-0.1 0.858 127.9 35.8 -50.3 -46.0 13.0 18.2 10.0 253 255 A I T >4>S+ 0 0 14 -23,-0.2 5,-2.0 1,-0.2 3,-1.7 0.721 102.4 71.7 -90.7 -21.8 9.2 17.6 10.2 254 256 A D G >45S+ 0 0 0 1,-0.2 3,-2.2 3,-0.2 -1,-0.2 0.872 91.4 64.2 -50.2 -38.5 8.2 21.2 10.4 255 257 A M G 3<5S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.567 103.2 44.7 -71.5 -9.7 9.2 21.3 6.8 256 258 A V G < 5S- 0 0 2 -3,-1.7 -231,-1.5 2,-0.1 -1,-0.3 -0.002 127.0-102.3-112.4 24.9 6.4 18.9 5.9 257 259 A N T <>5 - 0 0 19 -3,-2.2 4,-2.4 1,-0.2 2,-0.3 0.846 63.7-161.7 62.5 42.0 4.0 20.9 8.1 258 260 A Q T 4< + 0 0 2 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.830 55.9 33.3-116.7 152.1 4.1 18.5 11.1 259 261 A V T >4 S- 0 0 16 -2,-0.3 3,-1.8 -3,-0.1 -1,-0.2 0.241 130.5 -57.8 -88.8 121.9 2.8 17.7 13.5 260 262 A A T 34 S- 0 0 42 1,-0.3 -2,-0.2 -49,-0.0 3,-0.1 0.859 113.5 -38.3 51.8 45.8 -0.6 18.5 11.9 261 263 A G T 3< S+ 0 0 32 -4,-2.4 2,-0.8 1,-0.2 -1,-0.3 0.274 101.5 132.1 94.4 -10.5 0.2 22.1 11.2 262 264 A L < + 0 0 54 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.2 -0.676 32.9 148.0 -80.5 107.9 2.1 22.8 14.4 263 265 A V - 0 0 11 -2,-0.8 -55,-0.9 -3,-0.1 3,-0.4 -0.691 45.5 -73.3-131.7-178.9 5.3 24.6 13.1 264 266 A G S > S- 0 0 0 -2,-0.2 3,-2.1 -57,-0.2 -58,-0.2 -0.590 95.8 -10.9 -84.0 140.0 7.9 27.2 14.2 265 267 A Y T 3 S- 0 0 79 -60,-0.8 -1,-0.2 1,-0.3 -59,-0.2 0.702 111.8 -71.2 56.4 34.7 7.4 31.0 14.3 266 268 A N T 3 S+ 0 0 129 -3,-0.4 -1,-0.3 -61,-0.3 2,-0.2 0.753 82.3 167.1 52.1 28.9 4.0 31.2 12.5 267 269 A E < - 0 0 79 -3,-2.1 2,-1.2 -18,-0.1 -1,-0.2 -0.491 40.8-127.5 -73.9 140.6 5.8 30.3 9.2 268 270 A D > + 0 0 96 1,-0.2 4,-0.7 -2,-0.2 3,-0.2 -0.736 32.8 175.4 -91.0 90.0 3.5 29.4 6.3 269 271 A I H >> S+ 0 0 2 -2,-1.2 3,-1.0 1,-0.2 4,-0.8 0.876 75.0 56.9 -66.7 -38.7 5.1 26.0 5.4 270 272 A V H >> S+ 0 0 27 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.865 98.7 61.5 -60.7 -38.7 2.5 25.2 2.7 271 273 A A H 3> S+ 0 0 28 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.746 94.1 63.4 -61.8 -26.6 3.3 28.4 0.9 272 274 A I H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-0.9 0.919 109.6 52.4 -59.8 -43.6 8.5 25.3 -11.7 281 283 A A H ><5S+ 0 0 34 -4,-2.0 3,-1.5 4,-0.3 -1,-0.2 0.878 105.0 55.0 -57.5 -40.4 5.6 26.5 -13.9 282 284 A S H 3<5S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.678 102.8 57.3 -69.5 -18.6 7.7 29.6 -14.8 283 285 A K T <<5S- 0 0 80 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.163 122.9-105.2 -93.9 16.0 10.6 27.3 -15.9 284 286 A Q T < 5 0 0 168 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.822 360.0 360.0 61.0 34.6 8.2 25.6 -18.4 285 287 A L < 0 0 16 -5,-1.9 -281,-2.1 -6,-0.1 -4,-0.3 0.273 360.0 360.0-113.2 360.0 8.0 22.5 -16.2