==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-OCT-12 4HJY . COMPND 2 MOLECULE: ENDO-TYPE MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.FIBRIANSAH,F.I.GLIUBICH,A.-M.W.H.THUNNISSEN . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.4 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 4 0 2 0 4 0 5 1 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 21 A D > 0 0 146 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.0 11.2 61.7 26.0 2 22 A Y T 3 + 0 0 69 1,-0.3 172,-0.1 165,-0.0 159,-0.0 0.614 360.0 66.8 -78.6 -16.6 11.1 58.8 28.4 3 23 A T T 3 S+ 0 0 57 3,-0.1 -1,-0.3 171,-0.1 4,-0.1 0.471 86.7 132.0 -77.9 1.7 11.8 56.0 26.0 4 24 A N < + 0 0 91 -3,-1.3 167,-0.0 1,-0.2 3,-0.0 -0.922 63.3 16.8-120.1 133.2 15.3 57.5 25.7 5 25 A P S S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.561 101.8-121.3 -80.4 150.3 17.8 56.2 25.9 6 26 A P - 0 0 105 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.022 22.0-134.5 -56.9 156.9 16.2 52.7 25.3 7 27 A W - 0 0 44 -4,-0.1 2,-1.0 167,-0.0 3,-0.1 -0.951 2.9-147.7-120.5 125.0 16.7 50.0 27.9 8 28 A N > - 0 0 108 -2,-0.5 3,-0.5 1,-0.2 171,-0.0 -0.764 14.4-172.3 -91.4 102.3 17.7 46.5 27.2 9 29 A A T 3> + 0 0 0 -2,-1.0 4,-3.3 1,-0.2 5,-0.3 0.698 61.6 89.9 -66.6 -22.5 15.9 44.6 30.0 10 30 A K H 3> S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 90.3 35.9 -52.6 -53.7 17.5 41.3 29.2 11 31 A V H <> S+ 0 0 86 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.904 119.4 48.1 -73.0 -42.5 20.7 41.4 31.4 12 32 A P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.896 116.6 46.0 -60.0 -36.1 19.1 43.2 34.3 13 33 A V H X S+ 0 0 2 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.858 107.9 58.0 -72.0 -36.2 16.3 40.7 34.1 14 34 A Q H < S+ 0 0 81 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.895 112.6 38.6 -59.2 -39.4 18.8 37.9 33.8 15 35 A R H < S+ 0 0 121 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.816 114.9 52.9 -86.1 -28.7 20.3 38.8 37.1 16 36 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.799 97.8 65.3 -71.8 -28.5 17.0 39.6 38.8 17 37 A M G >< S+ 0 0 97 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.733 87.3 72.7 -69.5 -20.5 15.5 36.3 37.9 18 38 A Q G 3 S+ 0 0 143 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.779 93.7 52.5 -59.3 -29.9 18.1 34.6 40.1 19 39 A W G X> S+ 0 0 49 -3,-1.4 4,-2.3 -4,-0.3 3,-1.0 0.292 74.5 112.6 -89.1 10.3 16.3 35.9 43.2 20 40 A M H <> + 0 0 44 -3,-1.4 4,-3.0 1,-0.3 5,-0.3 0.855 69.1 59.4 -61.4 -38.6 12.9 34.4 42.2 21 41 A P H 3> S+ 0 0 73 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.916 111.4 43.2 -53.9 -40.5 12.8 31.8 44.9 22 42 A I H <> S+ 0 0 28 -3,-1.0 4,-3.2 2,-0.2 5,-0.3 0.922 111.8 52.2 -70.2 -45.0 13.0 34.7 47.4 23 43 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.852 109.0 51.6 -60.6 -34.5 10.5 36.9 45.5 24 44 A Q H X S+ 0 0 117 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.916 112.2 46.2 -65.9 -43.5 8.1 33.9 45.5 25 45 A K H X S+ 0 0 106 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.976 118.7 40.2 -60.2 -56.3 8.5 33.6 49.2 26 46 A A H X S+ 0 0 0 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.892 115.2 52.9 -61.3 -40.9 8.1 37.3 49.9 27 47 A G H X>S+ 0 0 3 -4,-2.7 5,-2.6 -5,-0.3 4,-0.8 0.882 108.6 48.5 -65.1 -40.0 5.3 37.6 47.3 28 48 A A H ><5S+ 0 0 84 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.935 110.9 52.6 -63.8 -45.1 3.3 34.8 48.8 29 49 A A H 3<5S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.734 120.4 30.4 -59.8 -31.8 3.7 36.4 52.3 30 50 A W H 3<5S- 0 0 6 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.296 109.4-109.3-118.5 8.1 2.5 39.9 51.3 31 51 A G T <<5 + 0 0 55 -4,-0.8 2,-0.4 -3,-0.7 -3,-0.2 0.898 70.0 141.6 64.2 46.8 0.0 39.1 48.5 32 52 A V < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.946 60.5-104.4-129.0 138.0 2.2 40.5 45.7 33 53 A D > - 0 0 70 -2,-0.4 4,-1.5 1,-0.2 5,-0.1 -0.314 27.5-144.8 -52.7 122.2 2.9 39.3 42.1 34 54 A P H > S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.824 97.4 53.6 -66.9 -24.9 6.3 37.8 42.2 35 55 A Q H > S+ 0 0 89 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.839 102.9 56.3 -77.2 -31.3 7.2 39.0 38.7 36 56 A L H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 108.6 48.1 -63.1 -41.3 6.3 42.6 39.7 37 57 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.902 113.0 47.7 -62.9 -41.9 8.8 42.2 42.5 38 58 A T H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.884 108.9 54.5 -66.7 -38.0 11.3 40.8 40.0 39 59 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.940 109.5 46.9 -63.4 -44.6 10.6 43.6 37.5 40 60 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.884 109.8 53.1 -63.3 -40.7 11.3 46.3 40.1 41 61 A I H X>S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-1.3 0.984 111.7 46.5 -56.9 -54.2 14.5 44.6 41.1 42 62 A A H <5S+ 0 0 1 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.839 118.1 41.6 -56.7 -44.4 15.7 44.5 37.5 43 63 A I H <5S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.817 120.8 42.2 -69.9 -34.6 14.7 48.2 36.9 44 64 A Q H <5S- 0 0 44 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.858 138.9 -2.6 -90.3 -40.7 16.0 49.4 40.3 45 65 A S T ><5S- 0 0 23 -4,-3.2 3,-0.8 15,-0.3 -3,-0.2 0.451 81.6-122.3-127.6 -9.9 19.4 47.6 40.7 46 66 A G T 3 -AB 52 63A 7 5,-3.5 5,-2.3 -2,-0.3 3,-0.3 -0.803 34.4 -23.8-118.5 143.4 19.7 50.2 49.5 59 79 A G T > 5S- 0 0 0 -8,-2.2 3,-1.4 -2,-0.3 -9,-0.2 0.045 97.6 -22.5 73.7-164.8 19.8 46.7 48.0 60 80 A L T 3 5S+ 0 0 0 27,-0.3 -15,-0.3 1,-0.3 -13,-0.3 0.812 140.1 31.5 -58.8 -41.5 17.9 44.8 45.4 61 81 A M T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -17,-0.1 -2,-0.2 0.245 108.2-122.4-103.7 12.5 14.6 46.7 45.6 62 82 A Q T < 5 - 0 0 28 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.905 39.8-172.0 52.2 59.2 16.4 50.0 46.4 63 83 A L B < -B 58 0A 2 -5,-2.3 -5,-3.5 24,-0.2 2,-0.6 -0.540 20.4-141.1 -85.1 139.2 14.7 50.8 49.6 64 84 A K >>> - 0 0 87 -7,-0.3 5,-2.2 -2,-0.2 3,-2.2 -0.922 10.8-147.4 -97.5 117.8 15.2 54.1 51.5 65 85 A A T 34>S+ 0 0 22 -2,-0.6 5,-1.3 -9,-0.4 -1,-0.1 0.830 94.2 53.7 -47.7 -42.5 15.3 53.4 55.2 66 86 A S T 345S+ 0 0 78 3,-0.2 -1,-0.3 4,-0.1 14,-0.0 0.453 123.9 19.1 -83.2 -3.5 13.7 56.7 56.1 67 87 A T T <>5S+ 0 0 64 -3,-2.2 4,-2.3 3,-0.1 5,-0.1 0.511 136.1 20.8-123.9 -78.8 10.6 56.3 53.9 68 88 A S H X5S+ 0 0 8 -4,-0.6 4,-2.0 1,-0.2 5,-0.2 0.855 128.1 50.7 -67.7 -33.9 9.8 52.8 52.8 69 89 A G H >S+ 0 0 8 -4,-2.4 5,-2.9 1,-0.2 4,-0.7 0.895 109.5 49.8 -54.9 -42.5 8.5 48.8 60.3 74 94 A R H ><5S+ 0 0 178 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.941 106.9 54.5 -64.1 -44.4 5.5 50.7 61.3 75 95 A R H 3<5S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 109.2 50.8 -54.2 -28.9 3.2 48.1 59.5 76 96 A M H 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.594 119.8-109.9 -84.6 -15.6 5.0 45.5 61.7 77 97 A G T <<5S+ 0 0 2 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.589 76.9 131.3 90.3 13.9 4.5 47.3 64.9 78 98 A W < - 0 0 14 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.767 51.1-134.2-100.9 147.9 8.2 48.2 65.2 79 99 A S + 0 0 36 -2,-0.3 -1,-0.0 -3,-0.1 -3,-0.0 -0.374 65.8 15.7 -85.4 166.3 9.7 51.6 66.0 80 100 A G S S- 0 0 40 -2,-0.1 -7,-0.1 -14,-0.0 -6,-0.1 -0.113 85.4 -78.0 76.7-160.2 12.6 53.0 64.1 81 101 A E - 0 0 95 -8,-0.1 -11,-0.1 -9,-0.1 -15,-0.1 -0.960 42.5 -86.4-145.5 159.6 14.0 52.0 60.7 82 102 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -13,-0.1 -0.208 41.0-118.9 -63.2 152.0 16.3 49.3 59.2 83 103 A T > - 0 0 69 1,-0.1 4,-1.7 -18,-0.0 3,-0.1 -0.524 26.0-110.4 -82.5 165.1 20.0 49.6 59.1 84 104 A T H > S+ 0 0 76 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.851 119.1 60.5 -60.5 -37.0 21.9 49.7 55.8 85 105 A S H >> S+ 0 0 92 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.922 102.3 48.0 -57.9 -50.0 23.2 46.3 56.8 86 106 A E H >4 S+ 0 0 47 1,-0.2 3,-1.4 2,-0.2 7,-0.3 0.929 108.9 56.3 -55.8 -47.3 19.8 44.6 56.9 87 107 A L H 3< S+ 0 0 0 -4,-1.7 -27,-0.3 1,-0.3 -1,-0.2 0.567 99.0 58.4 -66.7 -14.3 18.9 46.1 53.6 88 108 A K H << S+ 0 0 80 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.589 82.2 97.4 -89.3 -16.9 21.8 44.5 51.8 89 109 A N S S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.879 96.4 45.3 -54.0 -45.5 18.7 40.0 49.7 91 111 A E H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.937 114.4 46.6 -69.3 -45.0 15.9 38.3 51.6 92 112 A R H > S+ 0 0 57 -6,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 115.9 48.6 -62.7 -38.9 15.4 41.1 54.1 93 113 A N H X S+ 0 0 0 -4,-3.0 4,-2.4 -7,-0.3 -2,-0.2 0.932 113.2 44.6 -64.5 -49.5 15.4 43.5 51.2 94 114 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.907 113.2 49.3 -67.0 -42.6 13.0 41.6 49.0 95 115 A S H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.925 112.8 49.0 -64.6 -39.4 10.5 40.9 51.7 96 116 A M H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.907 110.8 49.2 -69.3 -36.4 10.5 44.5 52.8 97 117 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 112.7 48.1 -63.7 -45.2 10.0 45.7 49.2 98 118 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.920 110.2 52.1 -61.1 -41.8 7.1 43.3 48.8 99 119 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.924 107.9 52.7 -60.0 -39.1 5.7 44.5 52.1 100 120 A Y H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.920 106.2 52.5 -66.2 -39.9 6.0 48.0 50.8 101 121 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.899 109.8 48.8 -59.7 -43.1 4.0 47.2 47.7 102 122 A N H X S+ 0 0 28 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.836 109.9 52.8 -63.4 -37.9 1.2 45.6 49.8 103 123 A I H X S+ 0 0 27 -4,-2.0 4,-1.2 -5,-0.2 3,-0.4 0.955 112.8 43.4 -61.1 -48.1 1.2 48.8 51.9 104 124 A L H ><>S+ 0 0 4 -4,-2.8 5,-2.0 1,-0.2 3,-1.2 0.980 113.9 52.1 -60.5 -51.8 0.8 51.0 48.8 105 125 A E H 3<5S+ 0 0 71 -4,-3.1 6,-0.3 1,-0.3 -1,-0.2 0.709 118.3 35.8 -58.1 -25.6 -1.8 48.6 47.4 106 126 A T H 3<5S+ 0 0 89 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.424 126.3 32.8-110.8 -2.2 -3.9 48.7 50.6 107 127 A G T X<5S+ 0 0 40 -4,-1.2 3,-1.3 -3,-1.2 -3,-0.2 0.462 126.8 8.1-112.5-103.7 -3.4 52.3 51.7 108 128 A P T 3 5S+ 0 0 34 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.774 134.5 43.0 -53.1 -37.3 -2.9 55.2 49.2 109 129 A L T > S- 0 0 37 1,-0.2 4,-2.7 37,-0.1 5,-0.1 -0.618 70.5-157.0 -70.2 108.7 -8.2 47.7 36.7 115 135 A P H > S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.644 86.8 56.8 -69.9 -19.8 -5.2 45.6 37.7 116 136 A K H > S+ 0 0 72 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.929 112.0 40.2 -78.1 -47.6 -3.1 46.7 34.7 117 137 A V H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 3,-0.3 0.946 113.6 56.8 -59.8 -45.0 -3.4 50.3 35.6 118 138 A L H X S+ 0 0 28 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.909 105.0 50.5 -54.1 -42.4 -3.0 49.4 39.3 119 139 A Q H X S+ 0 0 30 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.872 111.5 49.4 -66.9 -33.3 0.3 47.7 38.5 120 140 A Y H X S+ 0 0 16 -4,-1.7 4,-1.9 -3,-0.3 5,-0.3 0.907 108.7 51.8 -66.0 -44.9 1.3 51.0 36.7 121 141 A A H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.2 0.921 108.5 53.8 -57.8 -41.6 0.2 53.0 39.7 122 142 A L H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.890 106.9 47.4 -64.0 -44.6 2.4 50.8 41.9 123 143 A V H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.914 117.5 43.4 -65.9 -38.6 5.7 51.2 40.0 124 144 A V H X>S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.5 0.935 116.6 46.5 -72.4 -43.3 5.3 54.9 39.8 125 145 A S H X5S+ 0 0 0 -4,-3.1 4,-1.2 -5,-0.3 5,-0.2 0.860 114.0 50.2 -63.3 -33.8 4.2 55.1 43.5 126 146 A Y H <5S+ 0 0 24 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.950 118.3 35.7 -69.3 -46.6 7.0 52.9 44.4 127 147 A A H <5S+ 0 0 28 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.808 137.3 16.0 -83.1 -31.5 9.7 54.8 42.6 128 148 A N H <5S- 0 0 48 -4,-2.7 4,-0.2 -5,-0.2 -3,-0.2 0.458 114.6 -91.5-121.5 -8.2 8.5 58.4 43.1 129 149 A G X< - 0 0 23 -4,-1.2 4,-1.3 -5,-0.5 -3,-0.2 0.072 22.3-107.3 107.9 145.2 5.9 58.2 45.9 130 150 A A H > S+ 0 0 11 -5,-0.2 4,-3.2 2,-0.2 5,-0.2 0.953 114.7 50.9 -73.3 -47.1 2.2 57.7 46.1 131 151 A G H > S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.923 109.0 52.0 -57.8 -48.5 1.2 61.2 47.1 132 152 A A H 4 S+ 0 0 28 1,-0.2 4,-0.4 -4,-0.2 -1,-0.3 0.889 112.4 47.4 -53.3 -40.8 3.2 62.6 44.2 133 153 A L H >< S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.974 114.4 45.8 -64.5 -50.4 1.4 60.2 42.0 134 154 A L H >X S+ 0 0 0 -4,-3.2 3,-2.2 1,-0.3 4,-1.8 0.818 101.6 62.8 -67.1 -36.1 -2.0 61.1 43.4 135 155 A R T 3< S+ 0 0 156 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.578 88.3 73.1 -70.6 -7.7 -1.7 64.9 43.4 136 156 A T T <4 S+ 0 0 19 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.598 109.5 32.1 -76.5 -9.7 -1.4 64.8 39.6 137 157 A F T <4 S- 0 0 14 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.751 134.9 -35.4-109.7 -43.5 -5.1 64.0 39.6 138 158 A S < - 0 0 26 -4,-1.8 -1,-0.4 1,-0.0 -2,-0.1 -0.946 47.7-110.4-174.3 159.0 -6.4 65.9 42.7 139 159 A S S S+ 0 0 119 -2,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.657 99.3 79.7 -74.4 -16.3 -5.4 66.9 46.2 140 160 A D S > S- 0 0 80 1,-0.1 4,-2.5 -6,-0.1 5,-0.2 -0.816 75.2-144.4 -96.1 132.3 -8.1 64.5 47.5 141 161 A R H > S+ 0 0 118 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.916 98.2 46.0 -60.1 -46.5 -7.1 60.8 47.6 142 162 A K H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 113.0 48.4 -71.5 -35.2 -10.6 59.5 46.8 143 163 A K H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 108.5 54.9 -68.5 -43.2 -11.2 61.9 43.9 144 164 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.886 110.0 49.0 -51.9 -42.2 -7.8 61.1 42.5 145 165 A I H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.937 104.9 53.4 -64.9 -53.3 -8.8 57.4 42.5 146 166 A S H X S+ 0 0 66 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.885 110.8 49.8 -54.1 -39.8 -12.2 57.7 40.8 147 167 A K H >< S+ 0 0 102 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.952 107.4 54.1 -60.0 -47.6 -10.4 59.5 38.0 148 168 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.845 103.0 57.4 -56.5 -36.7 -7.8 56.8 37.8 149 169 A N H 3< S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.640 96.7 63.0 -70.1 -16.6 -10.5 54.2 37.4 150 170 A D T << S+ 0 0 136 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.3 0.185 95.8 80.6 -92.4 18.4 -11.9 56.0 34.3 151 171 A L < - 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0 0 17 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.694 48.4-136.4 -97.1 150.6 11.9 35.5 56.2 263 99 B S + 0 0 59 -2,-0.3 -1,-0.0 -3,-0.1 2,-0.0 -0.506 67.1 18.3 -88.5 167.4 13.6 32.1 56.5 264 100 B G S S- 0 0 36 -2,-0.2 -6,-0.1 -14,-0.0 -7,-0.1 -0.296 88.7 -77.7 77.9-154.2 14.9 30.7 59.7 265 101 B E - 0 0 83 -8,-0.1 2,-0.1 -9,-0.1 -15,-0.1 -0.970 38.2 -86.4-149.7 162.1 13.8 31.8 63.1 266 102 B P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -12,-0.1 -0.449 42.1-129.8 -69.7 145.0 14.3 34.5 65.8 267 103 B T > - 0 0 73 -2,-0.1 4,-1.8 1,-0.1 0, 0.0 -0.443 23.9-108.5 -85.3 166.7 17.1 34.1 68.2 268 104 B T H > S+ 0 0 73 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.907 118.9 56.2 -64.7 -41.1 16.7 34.4 71.9 269 105 B S H >> S+ 0 0 95 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.947 107.1 49.6 -59.6 -47.5 18.5 37.7 72.0 270 106 B E H >4 S+ 0 0 73 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.928 106.4 56.3 -49.9 -49.7 16.0 39.2 69.4 271 107 B L H 3< S+ 0 0 0 -4,-1.8 -27,-0.2 1,-0.3 -1,-0.2 0.657 94.2 69.7 -65.5 -12.1 13.0 38.0 71.3 272 108 B K H << S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.737 70.1 99.3 -82.0 -22.5 14.2 39.9 74.5 273 109 B N S S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.850 96.5 48.5 -52.5 -44.5 10.1 44.2 74.6 275 111 B E H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 114.4 42.4 -67.5 -48.4 8.8 46.0 71.5 276 112 B R H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.888 115.0 52.7 -63.6 -37.8 9.7 43.2 69.0 277 113 B N H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.949 111.0 45.3 -62.8 -49.0 8.5 40.6 71.4 278 114 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.903 115.0 47.6 -63.4 -42.9 5.1 42.3 71.8 279 115 B S H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.942 110.6 50.6 -67.5 -41.5 4.7 42.9 68.1 280 116 B M H X S+ 0 0 5 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.827 110.3 50.7 -66.4 -32.5 5.6 39.4 67.2 281 117 B G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.905 111.2 48.7 -65.3 -43.7 3.1 38.1 69.7 282 118 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.889 109.9 52.1 -63.2 -38.7 0.6 40.4 68.1 283 119 B A H X S+ 0 0 1 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.914 108.9 50.1 -63.3 -38.6 1.6 39.1 64.7 284 120 B Y H X S+ 0 0 32 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.924 107.4 53.7 -67.9 -40.0 1.1 35.5 65.9 285 121 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.891 110.1 47.7 -58.7 -41.5 -2.4 36.4 67.3 286 122 B N H X S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.895 108.6 54.8 -65.7 -41.1 -3.3 37.8 63.8 287 123 B I H X S+ 0 0 33 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.888 110.3 45.8 -57.5 -43.0 -2.0 34.7 62.2 288 124 B L H <>S+ 0 0 5 -4,-2.2 5,-3.0 1,-0.2 6,-0.4 0.941 112.8 50.6 -63.9 -50.1 -4.2 32.5 64.4 289 125 B E H <5S+ 0 0 64 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.754 118.1 36.7 -59.6 -29.3 -7.2 34.7 63.8 290 126 B T H <5S+ 0 0 87 -4,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.583 126.8 32.8-106.4 -8.7 -6.9 34.7 60.0 291 127 B G T ><5S+ 0 0 38 -4,-1.2 3,-1.8 -3,-0.2 -3,-0.2 0.519 129.2 8.4-110.6-106.0 -5.7 31.1 59.5 292 128 B P T 3 5S+ 0 0 47 0, 0.0 -3,-0.2 0, 0.0 -4,-0.1 0.830 135.8 42.9 -49.2 -37.2 -6.8 28.3 61.8 293 129 B L T > - 0 0 66 1,-0.2 4,-2.0 37,-0.1 3,-0.3 -0.573 69.0-153.4 -72.3 112.1 -18.7 35.9 68.3 299 135 B P H > S+ 0 0 97 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.638 91.5 56.5 -67.7 -17.8 -15.8 38.1 69.3 300 136 B K H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.920 109.3 45.0 -79.2 -44.6 -15.9 36.9 72.9 301 137 B V H > S+ 0 0 2 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.873 110.9 55.8 -56.9 -42.6 -15.6 33.2 71.8 302 138 B L H X S+ 0 0 27 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.875 105.4 50.7 -59.2 -41.6 -12.8 34.2 69.4 303 139 B Q H X S+ 0 0 28 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.839 112.6 46.4 -67.2 -35.0 -10.8 35.8 72.3 304 140 B Y H X S+ 0 0 12 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.897 112.9 49.5 -67.8 -46.6 -11.2 32.6 74.3 305 141 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.854 111.3 51.9 -60.1 -38.5 -10.2 30.6 71.3 306 142 B L H X S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.943 107.6 48.2 -67.4 -45.9 -7.2 32.8 70.8 307 143 B V H X S+ 0 0 3 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.884 117.1 43.2 -65.1 -35.6 -5.8 32.6 74.4 308 144 B V H X>S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.9 0.917 115.5 48.1 -75.6 -41.4 -6.1 28.8 74.4 309 145 B S H X5S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 5,-0.3 0.861 111.7 52.7 -62.2 -32.6 -4.7 28.6 70.8 310 146 B Y H <5S+ 0 0 25 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.953 118.9 32.5 -68.4 -47.2 -1.9 30.9 71.8 311 147 B A H <5S+ 0 0 31 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.816 137.2 15.5 -87.1 -34.4 -0.9 28.9 74.9 312 148 B N H <5S- 0 0 45 -4,-2.9 -3,-0.2 -5,-0.2 4,-0.2 0.560 115.0 -89.4-117.4 -12.5 -1.6 25.2 73.9 313 149 B G X< - 0 0 25 -5,-0.9 4,-1.1 -4,-0.6 -3,-0.2 -0.064 20.5-108.3 112.7 144.4 -2.0 25.4 70.2 314 150 B A H > S+ 0 0 14 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.902 112.5 52.1 -73.7 -43.1 -4.8 25.9 67.6 315 151 B G H > S+ 0 0 23 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.935 106.2 53.6 -60.2 -49.3 -5.0 22.3 66.3 316 152 B A H 4 S+ 0 0 27 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.870 112.9 46.4 -51.0 -41.2 -5.3 20.8 69.8 317 153 B L H >< S+ 0 0 0 -4,-1.1 3,-0.9 2,-0.2 -1,-0.2 0.904 114.1 45.8 -66.0 -47.3 -8.2 23.2 70.3 318 154 B L H >X S+ 0 0 9 -4,-2.4 3,-2.3 1,-0.2 4,-1.9 0.884 104.4 60.5 -69.7 -39.9 -9.9 22.5 67.0 319 155 B R T 3< S+ 0 0 169 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.529 89.1 72.5 -69.4 -8.3 -9.6 18.7 67.1 320 156 B T T <4 S+ 0 0 21 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.487 111.1 31.3 -78.0 -5.8 -11.7 18.8 70.3 321 157 B F T <4 S- 0 0 23 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.671 134.1 -29.6-112.8 -41.4 -14.5 19.6 67.9 322 158 B S < - 0 0 17 -4,-1.9 -1,-0.4 1,-0.1 -2,-0.1 -0.956 42.9-118.0-173.1 155.8 -13.6 17.8 64.7 323 159 B S S S+ 0 0 120 -2,-0.3 2,-0.6 -4,-0.1 -4,-0.1 0.583 99.8 79.3 -76.1 -15.1 -10.7 16.6 62.6 324 160 B D S > S- 0 0 76 1,-0.1 4,-2.4 -6,-0.1 5,-0.2 -0.897 74.7-148.8 -98.5 128.2 -12.0 18.9 59.9 325 161 B R H > S+ 0 0 199 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.874 95.6 48.2 -59.6 -44.2 -11.1 22.6 60.4 326 162 B K H > S+ 0 0 173 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 113.2 45.8 -72.1 -37.6 -14.2 24.0 58.7 327 163 B K H > S+ 0 0 127 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.888 108.8 57.6 -67.9 -41.7 -16.7 21.8 60.7 328 164 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 106.7 49.0 -52.5 -45.6 -14.8 22.5 63.9 329 165 B I H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.954 110.1 50.4 -62.2 -50.7 -15.4 26.2 63.3 330 166 B S H X S+ 0 0 68 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.940 111.0 48.9 -54.4 -45.7 -19.1 25.6 62.6 331 167 B K H >< S+ 0 0 103 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.918 110.8 51.6 -58.8 -42.6 -19.4 23.7 65.8 332 168 B I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.848 103.4 58.7 -60.7 -35.9 -17.6 26.5 67.5 333 169 B N H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.700 95.4 64.4 -68.7 -18.0 -20.1 29.0 66.1 334 170 B D T << S+ 0 0 132 -4,-1.0 2,-0.3 -3,-0.9 -1,-0.2 0.318 95.9 73.5 -88.4 12.5 -23.1 27.2 67.8 335 171 B L S < S- 0 0 41 -3,-1.2 2,-0.2 -4,-0.0 -37,-0.1 -0.839 72.3-130.1-124.2 154.9 -21.8 28.0 71.3 336 172 B D >> - 0 0 69 -2,-0.3 4,-2.6 -36,-0.1 3,-1.0 -0.665 43.5 -93.3 -98.5 163.6 -21.6 31.1 73.5 337 173 B A H 3> S+ 0 0 13 1,-0.3 4,-1.7 -2,-0.2 5,-0.1 0.807 127.7 46.9 -42.9 -40.1 -18.4 32.1 75.4 338 174 B D H 3> S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.822 110.2 50.5 -73.5 -35.6 -19.6 30.1 78.5 339 175 B E H <> S+ 0 0 75 -3,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.893 109.4 52.4 -68.1 -42.5 -20.5 27.0 76.5 340 176 B F H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.901 109.4 48.4 -56.4 -47.8 -17.1 27.1 74.8 341 177 B L H X S+ 0 0 24 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.901 111.1 52.5 -59.8 -39.0 -15.4 27.3 78.2 342 178 B E H X S+ 0 0 128 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.958 111.9 45.1 -56.8 -56.3 -17.6 24.4 79.3 343 179 B H H X S+ 0 0 34 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.888 112.4 50.4 -56.4 -46.2 -16.5 22.4 76.2 344 180 B V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.960 109.0 51.5 -58.9 -52.0 -12.8 23.2 76.7 345 181 B A H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.804 121.1 33.4 -55.8 -31.8 -12.9 22.2 80.4 346 182 B R H < S+ 0 0 216 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.754 129.8 29.4 -96.9 -28.8 -14.5 18.8 79.6 347 183 B N H < S+ 0 0 92 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.533 88.4 101.3-114.1 -8.3 -13.0 17.9 76.2 348 184 B H < - 0 0 16 -4,-2.5 5,-0.1 -5,-0.3 -31,-0.1 -0.701 61.2-146.4 -89.8 120.3 -9.6 19.6 76.0 349 185 B P S S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -32,-0.0 0.862 83.0 73.9 -46.9 -45.8 -6.7 17.1 76.7 350 186 B A S > S- 0 0 17 1,-0.2 3,-1.5 -3,-0.1 -2,-0.1 -0.662 72.0-152.5 -81.4 120.0 -4.6 19.7 78.4 351 187 B P T 3> S+ 0 0 98 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.756 93.0 62.1 -61.6 -25.6 -5.9 20.5 81.9 352 188 B Q H 3> S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.690 80.5 86.5 -80.1 -16.3 -4.4 24.0 81.7 353 189 B A H X> S+ 0 0 0 -3,-1.5 4,-1.1 1,-0.3 3,-0.8 0.936 94.2 39.3 -48.7 -56.0 -6.6 25.0 78.7 354 190 B P H 3> S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.839 109.2 63.8 -70.0 -21.7 -9.6 26.1 80.7 355 191 B R H 3X S+ 0 0 39 -4,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.772 97.0 57.5 -69.8 -25.1 -7.2 27.7 83.2 356 192 B Y H < S+ 0 0 38 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.856 106.0 56.6 -72.0 -37.4 -9.5 41.6 82.3 365 201 B D H 3< S+ 0 0 114 -4,-2.9 2,-0.3 1,-0.3 -2,-0.2 0.959 99.0 60.0 -55.2 -47.5 -11.0 42.3 85.6 366 202 B A T 3< 0 0 32 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.179 360.0 360.0 -76.9 21.8 -7.9 44.1 86.8 367 203 B M < 0 0 92 -3,-1.4 -1,-0.2 -2,-0.3 -4,-0.0 -0.608 360.0 360.0-124.3 360.0 -8.2 46.6 84.0