==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, CELL CYCLE 10-JUL-02 1M5Y . COMPND 2 MOLECULE: SURVIVAL PROTEIN SURA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.BITTO,D.B.MCKAY . 1530 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 91694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1175 76.8 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 . 217 14.2 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 . 16 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 . 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 . 102 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 637 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 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 4 0 0 4 11 1 0 4 0 0 4 0 8 0 0 4 0 0 0 4 6 2 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 . 6 4 12 5 3 0 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 4 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 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 25 A V 0 0 188 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.0 53.6 -0.2 40.1 2 26 A D - 0 0 72 13,-0.0 13,-0.0 1,-0.0 0, 0.0 -0.670 360.0-144.0 -86.0 95.5 51.3 2.9 39.9 3 27 A K - 0 0 154 -2,-1.2 12,-2.5 11,-0.1 2,-0.6 0.068 14.9-107.9 -54.2 166.2 49.3 2.7 43.2 4 28 A V E -A 14 0A 48 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.886 26.2-173.3-101.2 117.5 45.6 3.7 43.5 5 29 A A E S- 0 0 1 8,-2.4 384,-1.6 -2,-0.6 2,-0.3 0.835 70.6 -9.3 -78.4 -34.5 45.1 7.0 45.5 6 30 A A E -AB 13 388A 0 7,-1.2 7,-2.5 382,-0.3 2,-0.4 -0.970 60.8-124.1-164.3 148.1 41.4 6.7 45.6 7 31 A V E -AB 12 387A 38 380,-3.0 380,-2.6 -2,-0.3 2,-0.4 -0.825 25.5-173.8 -97.2 134.2 38.5 4.8 44.2 8 32 A V E - B 0 386A 0 3,-2.6 378,-0.2 -2,-0.4 2,-0.1 -0.891 50.6 -71.8-134.3 103.8 35.7 6.8 42.4 9 33 A N S S- 0 0 50 376,-2.9 2,-0.7 -2,-0.4 -1,-0.1 -0.289 119.8 -3.5 51.3-118.1 32.6 5.0 41.3 10 34 A N S S+ 0 0 156 -2,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.455 135.4 34.3-100.6 59.0 33.5 2.8 38.4 11 35 A G S S- 0 0 23 -2,-0.7 -3,-2.6 2,-0.0 2,-0.3 -0.968 72.4-118.3 177.2-178.0 37.1 4.0 38.2 12 36 A V E -A 7 0A 56 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.2 -0.823 15.9-123.0-137.3 173.9 40.1 5.1 40.3 13 37 A V E -A 6 0A 2 -7,-2.5 -8,-2.4 -2,-0.3 -7,-1.2 -0.956 36.1-139.9-123.0 106.2 42.5 8.1 40.8 14 38 A L E > -A 4 0A 51 -2,-0.5 4,-1.6 -10,-0.2 -10,-0.2 -0.338 14.1-128.4 -71.2 145.4 46.0 7.0 40.2 15 39 A E H > S+ 0 0 47 -12,-2.5 4,-1.8 1,-0.2 3,-0.2 0.881 112.3 59.3 -57.1 -36.2 49.0 8.1 42.3 16 40 A S H >> S+ 0 0 49 -13,-0.4 4,-2.3 1,-0.2 3,-0.7 0.959 104.1 49.1 -55.4 -54.1 50.6 9.1 39.1 17 41 A D H 3> S+ 0 0 67 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.774 107.6 54.8 -57.4 -30.4 47.8 11.4 38.2 18 42 A V H 3X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.847 108.2 49.4 -73.2 -33.1 48.0 13.0 41.7 19 43 A D H X S+ 0 0 105 -4,-2.8 4,-2.7 2,-0.2 3,-0.7 0.994 116.0 48.4 -55.7 -69.4 55.5 24.9 38.7 28 52 A N H 3< S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 110.5 55.0 -39.6 -41.3 52.7 27.3 37.9 29 53 A A H ><>S+ 0 0 10 -4,-2.6 5,-1.9 -5,-0.3 3,-1.1 0.948 113.1 40.1 -59.6 -50.2 53.0 28.4 41.6 30 54 A A H X<5S+ 0 0 70 -4,-2.3 3,-2.6 -3,-0.7 -2,-0.2 0.967 108.2 59.9 -62.0 -55.0 56.7 29.2 41.2 31 55 A Q T 3<5S+ 0 0 162 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.423 116.8 37.3 -54.8 3.3 56.3 30.7 37.7 32 56 A A T < 5S- 0 0 64 -3,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.355 110.5-114.9-137.6 0.4 54.1 33.2 39.5 33 57 A R T < 5 + 0 0 227 -3,-2.6 2,-0.5 -4,-0.3 -3,-0.2 0.982 60.3 158.3 60.0 57.8 55.8 33.7 42.8 34 58 A Q < - 0 0 52 -5,-1.9 -1,-0.2 -6,-0.0 -2,-0.1 -0.963 40.8-129.7-123.0 121.9 52.9 32.1 44.8 35 59 A Q - 0 0 111 -2,-0.5 -5,-0.0 1,-0.0 0, 0.0 -0.373 24.6-154.5 -64.3 143.0 53.2 30.6 48.3 36 60 A L - 0 0 46 151,-0.0 3,-0.1 -2,-0.0 148,-0.1 -0.938 15.4-117.7-120.8 141.3 51.7 27.1 48.5 37 61 A P - 0 0 18 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.214 58.0 -62.3 -69.3 174.2 50.3 25.5 51.7 38 62 A D >> - 0 0 99 1,-0.1 4,-2.3 4,-0.1 3,-0.5 -0.187 52.5-106.4 -57.1 146.0 52.1 22.4 53.0 39 63 A D H 3> S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.713 117.6 62.9 -46.9 -22.7 52.1 19.4 50.7 40 64 A A H 3> S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.984 107.8 37.4 -67.6 -59.4 49.5 17.8 53.0 41 65 A T H <> S+ 0 0 46 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.888 117.7 54.9 -59.6 -38.2 46.8 20.4 52.5 42 66 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.965 102.6 53.4 -60.2 -54.5 47.8 20.6 48.8 43 67 A R H X S+ 0 0 77 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.885 106.7 56.0 -47.6 -42.1 47.5 16.8 48.2 44 68 A H H X S+ 0 0 99 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.960 109.1 43.6 -56.1 -56.6 43.9 17.1 49.6 45 69 A Q H X S+ 0 0 19 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.966 113.7 51.2 -53.7 -57.1 42.9 19.8 47.1 46 70 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.906 111.8 49.2 -45.9 -49.3 44.6 18.0 44.3 47 71 A M H X S+ 0 0 8 -4,-3.2 4,-3.9 -5,-0.3 5,-0.3 0.973 110.2 48.8 -54.0 -59.9 42.7 14.8 45.3 48 72 A E H X S+ 0 0 54 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.913 113.5 48.6 -47.7 -47.6 39.3 16.6 45.5 49 73 A R H X S+ 0 0 62 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.929 114.5 44.3 -60.3 -47.1 40.0 18.0 42.1 50 74 A L H X S+ 0 0 24 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.900 111.3 53.7 -65.2 -41.6 41.0 14.7 40.7 51 75 A I H X S+ 0 0 0 -4,-3.9 4,-2.6 2,-0.2 -2,-0.2 0.912 112.8 44.0 -57.8 -46.8 38.0 12.9 42.3 52 76 A M H X S+ 0 0 27 -4,-2.4 4,-2.3 -5,-0.3 5,-0.4 0.942 111.1 52.1 -65.9 -48.6 35.6 15.3 40.8 53 77 A D H X S+ 0 0 30 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.853 111.6 51.0 -55.5 -32.5 37.3 15.2 37.4 54 78 A Q H X S+ 0 0 46 -4,-2.0 4,-2.5 -5,-0.2 3,-0.5 0.972 110.1 46.7 -68.8 -55.6 36.9 11.5 37.7 55 79 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.955 115.0 44.2 -49.3 -63.1 33.2 11.5 38.5 56 80 A I H X S+ 0 0 6 -4,-2.3 4,-1.1 1,-0.2 -1,-0.3 0.742 113.5 55.4 -60.2 -19.7 32.2 13.9 35.8 57 81 A L H X S+ 0 0 36 -4,-0.8 4,-1.7 -3,-0.5 -1,-0.2 0.927 105.6 46.0 -82.4 -43.8 34.4 12.0 33.4 58 82 A Q H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.899 109.0 60.8 -62.4 -35.9 32.9 8.5 33.8 59 83 A M H X S+ 0 0 40 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.915 101.2 51.4 -55.6 -42.7 29.6 10.3 33.5 60 84 A G H <>S+ 0 0 0 -4,-1.1 5,-2.2 2,-0.2 -1,-0.3 0.902 107.7 54.1 -62.2 -38.2 30.7 11.4 30.1 61 85 A Q H ><5S+ 0 0 150 -4,-1.7 3,-1.9 3,-0.2 -2,-0.2 0.987 108.5 46.9 -56.9 -63.6 31.5 7.7 29.3 62 86 A K H 3<5S+ 0 0 196 -4,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.917 113.5 45.8 -44.7 -62.1 28.0 6.4 30.2 63 87 A M T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.070 119.5-116.9 -75.6 31.8 26.1 9.1 28.3 64 88 A G T < 5 - 0 0 53 -3,-1.9 2,-0.6 -2,-0.4 -3,-0.2 0.838 42.6-178.1 32.1 74.7 28.5 8.4 25.5 65 89 A V < - 0 0 23 -5,-2.2 2,-0.4 -4,-0.1 -1,-0.2 -0.873 3.6-179.4-101.4 119.9 30.4 11.6 25.0 66 90 A K - 0 0 182 -2,-0.6 2,-0.6 47,-0.0 -5,-0.0 -0.921 18.9-150.1-120.8 146.0 32.9 11.5 22.1 67 91 A I - 0 0 14 -2,-0.4 46,-0.1 4,-0.0 42,-0.0 -0.947 20.2-135.3-117.1 111.9 35.2 14.2 20.9 68 92 A S >> - 0 0 62 -2,-0.6 4,-2.2 1,-0.1 3,-0.5 -0.332 18.5-121.5 -64.7 143.6 36.1 14.0 17.1 69 93 A D H 3> S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.834 113.2 62.3 -53.9 -32.1 39.7 14.5 16.2 70 94 A E H 3> S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.938 107.1 39.8 -61.0 -48.4 38.5 17.4 14.1 71 95 A Q H <> S+ 0 0 80 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.850 111.8 58.3 -70.8 -32.4 37.2 19.3 17.1 72 96 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.944 104.8 50.4 -60.3 -49.3 40.2 18.4 19.2 73 97 A D H X S+ 0 0 59 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.921 107.3 54.3 -55.1 -45.7 42.5 19.9 16.7 74 98 A Q H X S+ 0 0 115 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.907 109.9 47.6 -55.3 -43.3 40.4 23.1 16.7 75 99 A A H X S+ 0 0 25 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.944 111.7 47.4 -63.8 -50.6 40.8 23.2 20.5 76 100 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.898 110.5 55.0 -57.4 -41.2 44.6 22.6 20.5 77 101 A A H X S+ 0 0 33 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.3 0.845 106.3 51.2 -58.9 -38.4 44.8 25.3 17.8 78 102 A N H X S+ 0 0 71 -4,-1.6 4,-3.2 -3,-0.3 -1,-0.2 0.831 107.1 51.8 -70.4 -34.1 43.0 27.7 20.1 79 103 A I H X S+ 0 0 48 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.908 110.1 51.5 -67.6 -39.2 45.4 27.0 22.9 80 104 A A H ><>S+ 0 0 1 -4,-2.2 5,-0.9 2,-0.2 3,-0.6 0.950 114.3 41.2 -58.9 -53.1 48.2 27.8 20.4 81 105 A K H ><5S+ 0 0 149 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.921 110.5 56.5 -61.6 -46.7 46.5 31.1 19.4 82 106 A Q H 3<5S+ 0 0 138 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.735 115.6 42.1 -57.8 -19.0 45.7 31.8 23.1 83 107 A N T <<5S- 0 0 93 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.150 121.0-104.0-115.9 18.9 49.4 31.4 23.5 84 108 A N T < 5S+ 0 0 147 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.969 81.6 104.3 60.3 59.4 50.8 33.2 20.4 85 109 A M < - 0 0 29 -5,-0.9 2,-0.3 -8,-0.2 -1,-0.2 -0.954 65.8-113.5-156.0 170.3 51.7 30.2 18.2 86 110 A T > - 0 0 74 -2,-0.3 4,-1.9 1,-0.1 5,-0.4 -0.711 41.6-102.6-105.0 162.3 50.6 28.3 15.2 87 111 A L H > S+ 0 0 71 -2,-0.3 4,-2.4 1,-0.2 3,-0.5 0.935 128.4 40.9 -47.8 -49.9 49.5 24.7 15.4 88 112 A D H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.932 110.6 57.5 -63.8 -48.0 52.9 23.7 14.0 89 113 A Q H > S+ 0 0 105 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.719 115.4 36.6 -57.2 -24.7 54.7 26.2 16.2 90 114 A M H X S+ 0 0 15 -4,-1.9 4,-2.7 -3,-0.5 -1,-0.2 0.793 109.0 61.4 -95.4 -37.2 53.3 24.7 19.4 91 115 A R H X S+ 0 0 108 -4,-2.4 4,-1.9 -5,-0.4 -2,-0.2 0.854 109.6 45.9 -56.5 -34.0 53.4 21.1 18.2 92 116 A S H X S+ 0 0 75 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.897 107.0 54.5 -76.1 -45.0 57.1 21.7 18.0 93 117 A R H X S+ 0 0 144 -4,-0.8 4,-2.3 -5,-0.2 -2,-0.2 0.910 110.8 49.2 -54.5 -41.1 57.5 23.4 21.3 94 118 A L H X>S+ 0 0 16 -4,-2.7 5,-1.9 2,-0.2 4,-0.6 0.936 109.8 50.2 -62.5 -48.6 55.8 20.3 22.7 95 119 A A H ><5S+ 0 0 58 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.908 111.1 49.6 -55.5 -45.4 58.2 18.1 20.8 96 120 A Y H 3<5S+ 0 0 203 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.895 106.2 55.1 -62.7 -41.4 61.1 20.1 22.2 97 121 A D H 3<5S- 0 0 104 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.578 120.7-110.1 -69.9 -7.2 59.8 19.8 25.8 98 122 A G T <<5 + 0 0 63 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.518 66.6 143.9 93.7 7.2 59.7 16.0 25.3 99 123 A L < - 0 0 89 -5,-1.9 2,-0.6 1,-0.1 -1,-0.3 -0.540 53.2-120.7 -87.5 148.7 56.0 15.2 25.2 100 124 A N > - 0 0 94 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.738 21.9-141.7 -82.3 117.8 54.3 12.6 23.1 101 125 A Y H > S+ 0 0 28 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.854 99.8 48.8 -51.3 -41.9 51.8 14.5 20.9 102 126 A N H > S+ 0 0 114 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.966 107.6 54.0 -63.7 -50.4 49.1 11.9 21.2 103 127 A T H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.869 111.9 47.5 -47.8 -41.5 49.5 11.7 25.0 104 128 A Y H >X S+ 0 0 51 -4,-2.1 4,-2.5 2,-0.2 3,-0.6 0.953 109.2 50.6 -67.4 -51.4 48.9 15.4 25.0 105 129 A R H 3X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.925 108.1 54.7 -51.7 -48.9 45.9 15.3 22.7 106 130 A N H 3X S+ 0 0 75 -4,-3.0 4,-2.7 1,-0.2 -1,-0.3 0.835 107.5 50.2 -53.1 -38.4 44.3 12.6 24.9 107 131 A Q H X S+ 0 0 64 -4,-2.7 4,-2.4 -5,-0.2 3,-0.6 0.986 106.5 48.6 -60.7 -59.9 40.4 15.3 25.1 110 134 A K H 3X S+ 0 0 72 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.892 111.7 52.1 -47.7 -43.1 39.8 14.4 28.8 111 135 A E H 3X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.899 110.8 48.6 -61.2 -40.1 39.6 18.1 29.5 112 136 A M H < S+ 0 0 0 -4,-2.6 3,-0.7 -5,-0.3 4,-0.4 0.983 109.5 48.3 -63.6 -59.5 24.4 22.2 34.4 123 147 A R H >< S+ 0 0 158 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.901 107.7 58.7 -45.5 -48.8 22.3 23.9 31.8 124 148 A R H 3< S+ 0 0 195 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.902 107.0 47.4 -46.4 -49.4 19.8 21.0 32.0 125 149 A R T << S+ 0 0 79 -4,-1.6 2,-0.4 -3,-0.7 -1,-0.3 0.379 82.3 117.7 -79.4 5.4 19.3 21.8 35.8 126 150 A I < - 0 0 32 -3,-2.2 2,-0.3 -4,-0.4 243,-0.1 -0.594 47.5-163.5 -77.1 131.3 18.8 25.6 35.4 127 151 A T - 0 0 94 -2,-0.4 2,-0.6 241,-0.1 245,-0.1 -0.876 14.7-149.3-118.1 146.2 15.4 26.6 36.6 128 152 A I - 0 0 91 -2,-0.3 3,-0.1 4,-0.0 4,-0.0 -0.918 21.6-137.7-116.3 107.0 13.5 29.9 36.0 129 153 A L > - 0 0 109 -2,-0.6 3,-2.0 1,-0.1 4,-0.4 -0.211 37.9 -80.3 -60.9 149.4 11.1 30.9 38.9 130 154 A P T 3 S- 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.237 114.5 -1.3 -51.5 127.2 7.6 32.2 38.1 131 155 A Q T 3> S+ 0 0 132 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 0.395 96.1 126.4 70.6 -4.8 7.6 35.9 37.2 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0.000 360.0 360.0 360.0 92.6 5.9 5.8 110.9 533 173 B E - 0 0 78 62,-0.1 101,-1.0 100,-0.1 2,-0.3 -0.185 360.0-159.0 -53.5 147.3 4.3 9.0 109.4 534 174 B L E -LM 594 633E 7 60,-2.4 60,-1.8 99,-0.2 2,-0.5 -0.992 17.3-152.7-139.6 146.6 2.7 11.2 112.1 535 175 B N E +LM 593 632E 29 97,-2.5 97,-1.8 -2,-0.3 96,-1.7 -0.968 30.9 158.0-117.6 121.2 0.1 13.9 112.3 536 176 B L E -LM 592 630E 5 56,-1.5 55,-1.9 -2,-0.5 56,-0.7 -0.993 35.0-132.7-148.9 152.8 0.4 16.5 115.1 537 177 B S E -LM 590 629E 7 92,-1.4 92,-2.0 -2,-0.3 2,-0.4 -0.728 26.3-145.0-100.1 153.9 -0.5 20.0 116.2 538 178 B H E - M 0 628E 15 51,-4.3 2,-0.4 -2,-0.3 90,-0.2 -0.954 14.8-172.8-127.9 137.7 2.0 22.4 117.6 539 179 B I E - M 0 627E 0 88,-2.5 88,-1.8 -2,-0.4 2,-0.5 -0.990 11.1-160.5-129.6 125.0 1.9 25.1 120.3 540 180 B L E - M 0 626E 8 -2,-0.4 41,-0.9 86,-0.2 86,-0.2 -0.906 11.4-162.1-110.6 127.6 4.9 27.5 120.9 541 181 B I E - M 0 625E 9 84,-3.0 84,-2.8 -2,-0.5 39,-0.1 -0.933 35.3-131.0-103.6 106.6 5.4 29.4 124.1 542 182 B P E + M 0 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-4,-3.6 4,-3.2 2,-0.2 -1,-0.2 0.896 112.9 45.6 -60.8 -41.4 12.3 31.1 131.3 553 193 B N H X S+ 0 0 92 -4,-3.1 4,-4.0 -5,-0.3 5,-0.3 0.955 110.7 51.6 -69.6 -46.6 10.2 30.3 134.3 554 194 B E H X S+ 0 0 152 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.950 115.6 44.7 -51.3 -50.0 7.2 32.4 133.2 555 195 B A H X S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.956 115.4 45.0 -59.7 -53.9 7.5 30.5 129.9 556 196 B E H X S+ 0 0 61 -4,-3.2 4,-3.4 2,-0.2 5,-0.2 0.943 114.1 50.5 -57.0 -48.3 8.0 27.1 131.4 557 197 B S H X S+ 0 0 81 -4,-4.0 4,-2.8 1,-0.2 -2,-0.2 0.951 112.7 45.8 -52.1 -55.9 5.1 27.7 133.9 558 198 B Q H X S+ 0 0 71 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.902 114.9 48.0 -55.0 -45.9 2.8 28.8 131.1 559 199 B A H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.937 110.5 51.1 -62.9 -47.8 3.8 25.8 129.0 560 200 B R H X S+ 0 0 135 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.954 108.8 51.8 -54.3 -53.0 3.3 23.4 131.9 561 201 B A H X S+ 0 0 43 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.874 110.8 48.1 -52.0 -41.9 -0.2 24.8 132.5 562 202 B I H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.931 108.1 53.2 -66.7 -45.0 -1.1 24.3 128.9 563 203 B V H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.829 108.2 54.5 -59.9 -29.9 0.2 20.7 128.8 564 204 B D H >X S+ 0 0 96 -4,-1.9 4,-1.9 -5,-0.2 3,-1.1 0.999 110.0 41.5 -64.8 -68.5 -2.0 20.1 131.8 565 205 B Q H 3<>S+ 0 0 84 -4,-2.1 5,-2.6 1,-0.3 -2,-0.2 0.807 110.9 62.0 -48.1 -31.4 -5.2 21.3 130.3 566 206 B A H ><5S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 -1,-0.3 0.930 108.3 40.0 -61.6 -46.0 -4.1 19.5 127.2 567 207 B R H <<5S+ 0 0 150 -4,-1.8 -1,-0.2 -3,-1.1 -2,-0.2 0.707 104.4 65.7 -76.9 -23.0 -4.1 16.2 129.0 568 208 B N T 3<5S- 0 0 130 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.164 127.0 -98.5 -84.1 19.4 -7.3 16.9 130.9 569 209 B G T < 5 + 0 0 59 -3,-0.8 -3,-0.2 -5,-0.2 -2,-0.1 0.435 68.1 159.4 82.2 1.9 -8.9 16.8 127.5 570 210 B A < - 0 0 34 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.173 57.6 -89.1 -55.8 151.1 -9.0 20.5 126.7 571 211 B D > - 0 0 46 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.527 39.5-163.4 -66.4 110.6 -9.3 21.4 123.0 572 212 B F H > S+ 0 0 7 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.885 87.9 54.4 -64.0 -42.6 -5.7 21.6 121.9 573 213 B G H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 15,-0.2 0.839 107.7 52.3 -60.5 -33.3 -6.5 23.5 118.7 574 214 B K H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.947 109.5 48.1 -66.3 -49.9 -8.3 26.0 120.8 575 215 B L H X>S+ 0 0 15 -4,-2.0 4,-3.1 1,-0.2 5,-0.6 0.872 108.7 54.9 -57.8 -41.2 -5.3 26.4 123.0 576 216 B A H X5S+ 0 0 0 -4,-2.7 4,-1.8 12,-0.3 -1,-0.2 0.931 108.3 47.6 -59.8 -46.8 -3.1 26.8 120.0 577 217 B I H <5S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 117.7 45.7 -61.9 -34.2 -5.2 29.7 118.7 578 218 B A H <5S+ 0 0 15 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.830 134.2 2.9 -81.6 -32.6 -5.1 31.1 122.2 579 219 B H H <5S+ 0 0 72 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.581 89.7 113.5-132.1 -10.9 -1.4 30.8 123.1 580 220 B S << - 0 0 1 -4,-1.8 -39,-0.2 -5,-0.6 -41,-0.1 -0.362 39.5-167.9 -67.0 147.2 0.7 29.4 120.3 581 221 B A + 0 0 54 -41,-0.9 -1,-0.1 4,-0.1 -40,-0.1 0.414 53.2 104.1-112.5 -3.5 3.2 31.8 118.8 582 222 B D S > S- 0 0 28 -42,-0.1 3,-1.4 -44,-0.1 4,-0.3 -0.212 88.7-100.5 -74.0 170.5 4.2 29.8 115.7 583 223 B Q T 3 S+ 0 0 78 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.859 121.8 55.0 -56.4 -38.5 2.9 30.6 112.2 584 224 B Q T > >S+ 0 0 79 1,-0.2 5,-2.3 2,-0.1 3,-1.3 0.465 76.6 101.0 -78.1 -3.4 0.3 27.9 112.5 585 225 B A G X 5S+ 0 0 5 -3,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.935 79.6 51.1 -47.7 -61.3 -1.3 29.1 115.7 586 226 B L G 3 5S+ 0 0 20 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.726 106.7 58.8 -52.5 -21.7 -4.3 30.7 114.1 587 227 B N G X 5S- 0 0 81 -3,-1.3 3,-1.7 -4,-0.2 -1,-0.3 -0.257 132.2 -87.6-104.2 46.8 -4.9 27.5 112.2 588 228 B G T < 5 - 0 0 4 -3,-1.0 -12,-0.3 1,-0.3 -3,-0.2 0.363 68.3 -83.7 68.8 -8.8 -5.2 25.3 115.3 589 229 B G T 3 - 0 0 96 -2,-0.3 3,-1.6 -62,-0.2 4,-0.2 -0.484 31.9-134.5 -71.6 134.3 8.0 11.7 108.9 596 236 B I G > S+ 0 0 41 -64,-0.4 3,-0.7 1,-0.3 -1,-0.2 0.752 108.3 60.7 -58.9 -21.4 9.3 11.6 112.4 597 237 B Q G 3 S+ 0 0 112 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.728 93.1 61.3 -78.9 -23.9 12.7 12.0 110.8 598 238 B E G < S+ 0 0 92 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.354 91.9 89.9 -84.3 6.7 11.9 15.4 109.2 599 239 B L S < S- 0 0 30 -3,-0.7 5,-0.1 -4,-0.2 149,-0.1 -0.689 94.3 -85.7-102.5 155.9 11.4 16.8 112.7 600 240 B P >> - 0 0 39 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.188 36.8-124.1 -53.0 152.6 13.9 18.5 114.9 601 241 B G H 3> S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.779 106.4 77.0 -71.5 -24.8 15.8 15.9 117.0 602 242 B I H 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.681 111.1 27.9 -57.8 -15.2 14.8 17.7 120.1 603 243 B F H <> S+ 0 0 15 -3,-1.2 4,-2.5 2,-0.1 3,-0.3 0.681 100.9 78.9-113.7 -36.9 11.4 16.0 119.5 604 244 B A H < S+ 0 0 35 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.829 93.3 59.2 -43.3 -36.6 12.3 12.9 117.6 605 245 B Q T >< S+ 0 0 143 -4,-1.4 3,-1.0 1,-0.2 4,-0.5 0.967 111.4 34.5 -58.7 -59.8 13.2 11.5 121.1 606 246 B A T 3> S+ 0 0 35 -3,-0.3 4,-0.6 -4,-0.2 3,-0.4 0.730 112.1 61.8 -71.7 -24.1 9.8 11.9 122.7 607 247 B L T 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.348 88.8 72.3 -86.1 8.9 7.8 11.1 119.5 608 248 B S T <4 S+ 0 0 79 -3,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.844 107.7 32.1 -86.6 -38.7 9.3 7.6 119.3 609 249 B T T 4 S+ 0 0 113 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.1 0.573 93.3 131.7 -90.8 -14.4 7.3 6.3 122.2 610 250 B A < - 0 0 18 -4,-0.6 2,-0.3 1,-0.1 -3,-0.1 -0.144 41.6-159.9 -48.9 120.6 4.4 8.6 121.4 611 251 B K > - 0 0 152 1,-0.1 3,-1.9 19,-0.0 19,-0.2 -0.720 37.7 -80.2-100.2 153.1 1.1 6.9 121.4 612 252 B K T 3 S+ 0 0 116 -2,-0.3 19,-0.2 1,-0.2 -1,-0.1 -0.287 117.0 24.2 -58.9 129.8 -1.9 8.4 119.5 613 253 B G T 3 S+ 0 0 39 17,-2.5 -1,-0.2 1,-0.3 18,-0.1 0.271 92.6 139.4 99.8 -8.6 -3.7 11.1 121.5 614 254 B D < - 0 0 69 -3,-1.9 16,-3.3 15,-0.1 2,-0.5 -0.272 48.3-140.3 -72.4 153.5 -0.6 12.0 123.6 615 255 B I E -N 629 0E 8 14,-0.2 2,-0.8 -52,-0.1 14,-0.2 -0.967 19.8-137.8-112.9 118.3 0.6 15.4 124.6 616 256 B V E -N 628 0E 11 12,-2.6 12,-0.9 -2,-0.5 3,-0.3 -0.708 30.5-106.4 -85.7 111.8 4.4 15.6 124.4 617 257 B G E - 0 0 25 -2,-0.8 2,-0.6 1,-0.2 11,-0.2 0.307 52.3 -67.9 -28.3 154.1 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269.7 1329 208 D N T 3<5S- 0 0 123 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.139 127.8 -94.7 -89.6 22.8 -2.0 17.8 272.1 1330 209 D G T < 5S+ 0 0 67 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.402 70.1 158.3 85.1 -0.7 -4.3 17.6 269.1 1331 210 D A < - 0 0 25 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.165 57.0 -91.4 -55.7 150.4 -4.5 21.3 268.2 1332 211 D D > - 0 0 45 1,-0.2 4,-2.3 2,-0.1 -1,-0.1 -0.523 36.8-160.3 -65.5 113.1 -5.5 22.1 264.5 1333 212 D F H > S+ 0 0 2 -2,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.904 89.8 53.1 -63.5 -43.3 -2.2 22.2 262.7 1334 213 D G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 15,-0.2 0.858 108.0 51.6 -60.5 -35.7 -3.6 24.1 259.8 1335 214 D K H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.965 111.0 47.8 -65.2 -50.8 -4.9 26.7 262.2 1336 215 D L H X>S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.2 5,-0.6 0.917 109.8 53.7 -53.8 -47.3 -1.5 27.0 263.8 1337 216 D A H X5S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.924 109.3 46.5 -54.3 -50.7 0.1 27.3 260.4 1338 217 D I H <5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.0 46.8 -63.4 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