==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 07-MAR-12 4E29 . COMPND 2 MOLECULE: CHIMERIC WZZB CHAIN LENGTH DETERMINANT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI, SALMONELLA ENTERICA . AUTHOR S.KALYNYCH,D.YAO,J.D.MAGEE,M.CYGLER . 459 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 74.3 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 . 39 8.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 0 0 0 2 0 2 0 0 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 2 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 . 0 0 2 0 0 3 1 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 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 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 55 A K 0 0 72 0, 0.0 231,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -1.1 16.8 60.1 8.7 2 56 A W E -A 80 0A 70 78,-2.3 78,-3.1 229,-0.2 2,-0.6 -0.995 360.0-151.2-128.9 128.2 17.0 62.4 11.8 3 57 A T E -A 79 0A 33 227,-0.4 2,-0.4 -2,-0.4 76,-0.2 -0.879 7.0-167.7-107.6 121.5 19.9 62.3 14.2 4 58 A S E -A 78 0A 0 74,-2.4 74,-2.1 -2,-0.6 2,-0.3 -0.819 14.3-169.7 -95.4 141.2 19.6 63.3 17.9 5 59 A T E -A 77 0A 42 -2,-0.4 221,-2.3 72,-0.2 2,-0.3 -0.942 11.2-176.8-130.1 155.8 22.8 63.7 19.8 6 60 A A E -A 76 0A 0 70,-2.3 70,-2.8 -2,-0.3 2,-0.4 -0.959 17.4-140.7-140.8 159.2 23.9 64.1 23.4 7 61 A I E +AB 75 223A 39 216,-2.3 215,-2.9 -2,-0.3 216,-2.3 -0.993 25.8 175.5-123.8 130.1 27.1 64.7 25.2 8 62 A I E +AB 74 221A 0 66,-2.7 66,-3.2 -2,-0.4 2,-0.3 -0.881 4.7 174.5-129.6 160.5 27.9 63.0 28.5 9 63 A T E - B 0 220A 29 211,-2.2 211,-1.9 -2,-0.3 3,-0.1 -0.873 44.0 -45.3-151.6-172.6 30.8 62.7 30.9 10 64 A Q - 0 0 73 -2,-0.3 209,-0.2 209,-0.2 29,-0.1 -0.199 65.2-101.0 -60.7 148.9 31.8 61.4 34.2 11 65 A P - 0 0 1 0, 0.0 209,-0.1 0, 0.0 -1,-0.1 -0.334 44.0 -99.2 -67.7 153.5 29.5 61.9 37.2 12 66 A D > - 0 0 85 207,-0.2 4,-0.6 1,-0.1 3,-0.3 -0.357 25.6-116.4 -75.7 158.1 30.3 64.6 39.6 13 67 A V T >4 S+ 0 0 78 1,-0.3 3,-0.7 2,-0.2 7,-0.2 0.851 115.7 52.8 -65.4 -35.4 32.1 63.9 42.9 14 68 A G G >4 S+ 0 0 59 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.839 105.5 55.7 -66.2 -34.4 29.1 65.1 45.0 15 69 A Q G 34 S+ 0 0 39 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.588 113.8 39.6 -75.0 -13.3 26.8 62.8 43.0 16 70 A I G S+ 0 0 50 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.865 77.3 53.4 -55.3 -41.2 29.7 60.7 47.5 18 72 A G H > S+ 0 0 38 196,-0.3 4,-2.3 197,-0.3 -1,-0.2 0.928 112.2 43.3 -59.4 -48.0 27.6 57.9 48.8 19 73 A Y H > S+ 0 0 25 196,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.929 113.9 51.3 -64.9 -48.1 29.5 55.3 46.8 20 74 A N H X S+ 0 0 41 -4,-3.0 4,-2.1 195,-0.3 -2,-0.2 0.922 110.6 49.0 -53.9 -48.0 32.8 56.8 47.6 21 75 A N H X S+ 0 0 92 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.910 110.6 50.3 -60.2 -43.7 31.9 56.8 51.3 22 76 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 110.2 50.2 -61.5 -44.4 30.8 53.1 51.1 23 77 A X H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.858 109.8 51.4 -62.0 -36.3 34.1 52.2 49.4 24 78 A N H X S+ 0 0 75 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.875 109.7 48.8 -70.6 -36.1 36.1 54.0 52.1 25 79 A V H < S+ 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.900 118.0 41.6 -65.5 -40.1 34.3 52.1 54.9 26 80 A I H < S+ 0 0 42 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.895 131.7 19.6 -73.6 -41.0 34.9 48.8 53.1 27 81 A Y H >< S- 0 0 44 -4,-2.5 3,-2.0 1,-0.2 -3,-0.2 0.529 80.9-169.6-114.7 -14.7 38.5 49.3 51.9 28 82 A G G >< S+ 0 0 35 -4,-1.7 3,-2.1 -5,-0.3 -1,-0.2 -0.298 76.5 4.6 58.9-128.7 39.9 52.0 54.1 29 83 A Q G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -2,-0.0 -5,-0.1 0.612 131.9 60.2 -64.6 -11.9 43.3 53.3 52.9 30 84 A A G < S+ 0 0 78 -3,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.414 75.3 120.9 -96.9 -0.5 42.9 51.0 49.9 31 85 A A S < S- 0 0 17 -3,-2.1 -7,-0.1 -7,-0.1 3,-0.1 -0.345 74.0 -99.3 -61.8 143.7 39.7 52.6 48.6 32 86 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.280 40.2 -98.8 -63.6 150.5 40.1 54.0 45.1 33 87 A K >> - 0 0 54 1,-0.1 4,-2.1 -3,-0.1 3,-0.8 -0.436 34.0-117.0 -65.6 144.5 40.7 57.7 44.6 34 88 A V H 3> S+ 0 0 48 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.855 115.4 55.0 -56.5 -36.8 37.5 59.5 43.7 35 89 A S H 3> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.872 107.8 50.4 -64.7 -34.2 38.8 60.6 40.3 36 90 A D H <> S+ 0 0 95 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.879 108.2 52.0 -69.9 -38.9 39.5 56.9 39.6 37 91 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.920 107.2 54.0 -59.0 -44.9 36.0 56.0 40.6 38 92 A Q H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.913 110.7 45.2 -56.7 -44.8 34.7 58.7 38.3 39 93 A E H X S+ 0 0 51 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.902 112.5 51.1 -67.0 -42.6 36.6 57.2 35.4 40 94 A T H X S+ 0 0 87 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.906 110.8 49.2 -59.4 -43.0 35.5 53.6 36.3 41 95 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.940 113.3 42.3 -69.1 -49.9 31.9 54.6 36.4 42 96 A I H X S+ 0 0 21 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.884 112.6 57.3 -64.4 -35.7 31.6 56.5 33.1 43 97 A G H X S+ 0 0 36 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.881 105.3 50.6 -58.7 -38.9 33.7 53.7 31.6 44 98 A R H X S+ 0 0 20 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.907 111.8 46.5 -69.4 -40.8 31.1 51.2 32.7 45 99 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 173,-0.3 -2,-0.2 0.947 111.1 54.1 -61.6 -47.8 28.3 53.2 31.2 46 100 A S H X S+ 0 0 32 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.922 110.1 43.9 -54.6 -51.6 30.3 53.6 28.0 47 101 A S H X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.874 114.4 50.1 -65.6 -36.6 30.9 49.9 27.4 48 102 A A H X S+ 0 0 13 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.859 110.3 51.0 -67.1 -35.9 27.3 49.1 28.3 49 103 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.929 109.4 50.0 -67.7 -43.7 26.1 51.7 25.8 50 104 A S H X S+ 0 0 54 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.871 109.9 51.5 -61.3 -37.5 28.3 50.3 23.1 51 105 A A H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.924 107.0 52.8 -65.4 -44.2 26.9 46.8 23.8 52 106 A L H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.880 104.3 57.2 -57.6 -37.9 23.4 48.2 23.5 53 107 A A H X S+ 0 0 21 -4,-1.9 4,-1.3 1,-0.2 12,-0.3 0.863 107.4 48.0 -62.0 -35.3 24.4 49.6 20.1 54 108 A E H X S+ 0 0 37 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.915 110.2 51.2 -70.6 -44.0 25.3 46.1 19.0 55 109 A T H < S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 110.2 50.0 -56.8 -42.6 22.0 44.7 20.4 56 110 A L H < S+ 0 0 8 -4,-2.6 7,-2.0 1,-0.2 -1,-0.2 0.789 109.2 51.0 -71.4 -28.9 20.1 47.3 18.4 57 111 A D H < S+ 0 0 90 -4,-1.3 2,-1.9 5,-0.2 -1,-0.2 0.822 96.8 72.1 -74.2 -31.9 22.0 46.6 15.2 58 112 A N S < S+ 0 0 42 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.2 -0.396 80.5 107.2 -83.0 61.7 21.2 42.9 15.6 59 113 A Q S S- 0 0 64 -2,-1.9 -3,-0.0 -3,-0.2 403,-0.0 -0.963 83.3-116.5-136.9 152.0 17.5 43.3 14.8 60 114 A E S S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.895 123.9 34.6 -50.9 -39.5 15.3 42.4 11.8 61 115 A E S S- 0 0 71 -3,-0.1 -1,-0.3 -5,-0.0 -3,-0.1 -0.872 99.9-145.0-116.7 94.9 14.9 46.2 11.7 62 116 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.223 8.7-154.8 -64.8 146.7 18.3 47.5 12.7 63 117 A E - 0 0 43 -7,-2.0 2,-0.7 -10,-0.2 17,-0.1 -0.927 13.1-131.1-117.4 149.9 18.6 50.7 14.8 64 118 A K E +C 79 0A 78 15,-0.5 15,-1.8 -2,-0.3 2,-0.4 -0.862 32.5 163.4-110.0 103.3 21.7 53.0 14.8 65 119 A L E -C 78 0A 8 -2,-0.7 2,-0.3 -12,-0.3 13,-0.2 -0.943 14.8-172.7-114.9 137.4 23.0 54.0 18.2 66 120 A T E +C 77 0A 52 11,-2.7 11,-2.1 -2,-0.4 2,-0.3 -0.941 15.7 179.8-133.2 154.9 26.5 55.4 18.5 67 121 A I E +C 76 0A 28 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.977 16.6 147.1-148.4 141.7 29.0 56.5 21.1 68 122 A E E -C 75 0A 128 7,-1.7 7,-3.1 -2,-0.3 -2,-0.0 -0.955 54.3 -75.5-167.1 152.4 32.6 57.9 20.8 69 123 A P E -C 74 0A 88 0, 0.0 5,-0.3 0, 0.0 -2,-0.0 -0.300 38.6-134.9 -52.0 135.3 35.0 60.3 22.5 70 124 A S 0 0 41 3,-2.7 4,-0.1 1,-0.1 -63,-0.0 0.836 360.0 360.0 -63.8 -33.9 33.9 63.9 21.7 71 125 A V 0 0 174 2,-0.5 -1,-0.1 4,-0.0 4,-0.0 -0.964 360.0 360.0-129.2 360.0 37.6 64.8 21.0 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 131 A P 0 0 82 0, 0.0 -3,-2.7 0, 0.0 -2,-0.5 0.000 360.0 360.0 360.0-175.2 33.4 63.8 27.2 74 132 A L E -AC 8 69A 26 -66,-3.2 -66,-2.7 -5,-0.3 2,-0.5 -0.938 360.0-146.3-116.3 138.2 31.6 61.3 25.1 75 133 A T E -AC 7 68A 36 -7,-3.1 -7,-1.7 -2,-0.4 2,-0.3 -0.907 19.1-173.4-103.1 129.0 29.2 62.1 22.2 76 134 A V E -AC 6 67A 0 -70,-2.8 -70,-2.3 -2,-0.5 2,-0.3 -0.875 3.2-178.4-118.0 153.5 26.3 59.7 21.7 77 135 A S E -AC 5 66A 16 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.3 -0.986 15.9-161.9-148.5 159.1 23.7 59.7 18.9 78 136 A Y E -AC 4 65A 17 -74,-2.1 -74,-2.4 -2,-0.3 2,-0.6 -0.996 15.8-142.3-139.0 139.7 20.6 57.9 17.6 79 137 A V E +AC 3 64A 44 -15,-1.8 -15,-0.5 -2,-0.3 -76,-0.2 -0.912 30.3 173.9-105.4 116.5 19.2 58.0 14.1 80 138 A G E -A 2 0A 9 -78,-3.1 -78,-2.3 -2,-0.6 3,-0.1 -0.525 44.1-112.3-114.1-178.8 15.4 58.0 14.1 81 139 A Q S S+ 0 0 88 -80,-0.2 2,-0.3 -2,-0.2 -78,-0.1 0.643 101.4 22.4 -90.1 -18.5 12.6 58.4 11.5 82 140 A T S > S- 0 0 76 -80,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.956 82.2-111.6-142.5 161.3 11.5 61.8 12.9 83 141 A A H > S+ 0 0 20 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.938 119.1 42.7 -58.5 -51.0 13.1 64.6 14.9 84 142 A E H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 114.7 51.6 -62.9 -41.2 11.0 64.0 17.9 85 143 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 108.8 49.4 -63.6 -44.4 11.3 60.2 17.6 86 144 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.950 113.5 46.2 -61.2 -49.5 15.1 60.3 17.4 87 145 A Q H X S+ 0 0 70 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.921 113.6 49.0 -58.1 -46.3 15.4 62.6 20.5 88 146 A X H X S+ 0 0 136 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 112.9 46.6 -63.4 -43.2 12.9 60.5 22.5 89 147 A K H X S+ 0 0 59 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.890 109.9 52.9 -68.2 -39.9 14.6 57.2 21.7 90 148 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.948 111.7 46.3 -60.9 -46.8 18.1 58.5 22.5 91 149 A A H X S+ 0 0 39 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 112.9 51.2 -59.5 -44.8 16.8 59.7 25.9 92 150 A Q H X S+ 0 0 81 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 110.7 46.8 -57.1 -45.7 15.2 56.3 26.4 93 151 A Y H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.829 110.1 52.7 -72.8 -32.1 18.3 54.3 25.5 94 152 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.946 113.0 44.8 -63.9 -48.0 20.5 56.4 27.8 95 153 A Q H X S+ 0 0 88 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.898 110.5 55.4 -61.9 -41.1 18.1 55.8 30.6 96 154 A Q H X S+ 0 0 88 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.936 112.4 41.3 -57.8 -48.8 17.9 52.1 29.8 97 155 A V H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.910 113.3 54.5 -65.6 -42.8 21.7 51.7 30.0 98 156 A D H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.919 109.2 47.8 -55.2 -47.3 21.8 53.9 33.1 99 157 A D H X S+ 0 0 91 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.909 112.2 50.0 -63.0 -42.9 19.2 51.7 34.8 100 158 A K H X S+ 0 0 110 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.947 114.3 41.5 -62.1 -51.7 21.1 48.5 33.9 101 159 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.881 112.5 54.8 -69.0 -37.4 24.5 49.6 35.1 102 160 A N H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.918 107.8 50.4 -60.3 -42.2 23.2 51.2 38.3 103 161 A Q H X S+ 0 0 108 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.935 111.0 48.4 -62.8 -43.8 21.4 48.0 39.2 104 162 A E H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 113.4 47.6 -60.1 -45.8 24.7 46.0 38.7 105 163 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.909 112.4 48.7 -62.6 -45.3 26.7 48.5 40.7 106 164 A E H X S+ 0 0 36 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 113.0 47.2 -62.0 -45.2 24.2 48.5 43.6 107 165 A R H X S+ 0 0 133 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.884 112.3 49.0 -65.7 -38.8 24.0 44.7 43.7 108 166 A D H X S+ 0 0 7 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.895 111.1 51.1 -69.0 -35.7 27.8 44.4 43.6 109 167 A L H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.928 109.8 48.5 -65.9 -45.8 28.1 47.0 46.4 110 168 A K H X S+ 0 0 110 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 111.9 50.6 -60.5 -40.5 25.5 45.2 48.6 111 169 A D H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.926 110.5 49.2 -59.8 -45.6 27.4 41.9 47.9 112 170 A N H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 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0.904 113.7 51.6 -61.3 -43.8 39.8 36.0 46.7 254 74 B N H X S+ 0 0 20 -4,-2.9 4,-2.1 194,-0.3 -2,-0.2 0.926 109.5 49.8 -59.8 -45.6 41.0 39.5 47.6 255 75 B N H X S+ 0 0 52 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.925 111.0 49.8 -59.4 -44.0 40.5 38.8 51.4 256 76 B A H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 109.5 50.3 -61.9 -47.1 42.4 35.5 51.1 257 77 B X H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.862 110.5 51.0 -57.7 -38.4 45.3 37.2 49.3 258 78 B N H X S+ 0 0 76 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 110.2 48.2 -68.8 -39.5 45.4 39.8 52.0 259 79 B V H < S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 119.2 40.0 -61.8 -45.6 45.4 37.2 54.8 260 80 B I H < S+ 0 0 35 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.865 131.7 21.2 -73.0 -38.6 48.2 35.3 53.0 261 81 B Y H >< S- 0 0 110 -4,-2.6 3,-1.9 1,-0.2 -3,-0.2 0.587 81.5-169.4-112.6 -15.7 50.4 38.1 51.8 262 82 B G G >< S+ 0 0 33 -4,-1.8 3,-2.0 -5,-0.4 -1,-0.2 -0.366 75.9 2.7 61.3-129.0 49.5 41.1 54.0 263 83 B Q G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -2,-0.1 -5,-0.1 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0 0 119 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.891 124.2 32.8 -51.0 -42.0 38.8 17.3 11.5 295 115 B E S S- 0 0 73 -3,-0.1 -1,-0.3 -5,-0.0 -3,-0.1 -0.893 99.8-142.8-114.1 96.8 36.2 20.0 11.2 296 116 B P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.241 9.9-150.5 -61.7 145.2 37.8 23.2 12.5 297 117 B E - 0 0 43 -7,-1.9 2,-0.7 -10,-0.2 16,-0.1 -0.893 10.8-129.9-115.5 150.0 35.7 25.7 14.4 298 118 B K E +F 312 0B 119 14,-0.5 14,-2.0 -2,-0.3 2,-0.4 -0.871 32.9 163.3-109.2 107.1 36.3 29.4 14.6 299 119 B L E +F 311 0B 11 -2,-0.7 2,-0.3 12,-0.2 12,-0.2 -0.966 13.4 179.8-117.9 136.5 36.4 31.0 18.0 300 120 B T E -F 310 0B 47 10,-2.3 10,-1.7 -2,-0.4 2,-0.3 -0.911 17.6-170.4-136.8 163.5 37.9 34.5 18.5 301 121 B I E +F 309 0B 31 -2,-0.3 8,-0.2 8,-0.2 -2,-0.0 -0.965 20.0 148.0-153.9 136.1 38.6 37.2 21.1 302 122 B E E -F 308 0B 50 6,-2.0 6,-3.5 -2,-0.3 2,-0.1 -0.985 53.0 -73.4-160.8 160.3 39.8 40.8 20.7 303 123 B P E F 307 0B 111 0, 0.0 4,-0.3 0, 0.0 -2,-0.0 -0.427 360.0 360.0 -60.8 139.1 39.5 44.3 22.3 304 124 B 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-90.3 -3.7 73.5 42.8 100.8 386 211 B K T <<5 + 0 0 176 -4,-0.7 2,-0.8 -3,-0.6 -3,-0.2 0.889 53.8 155.0 55.0 45.3 71.4 40.5 103.1 387 212 B I < + 0 0 19 -5,-2.6 21,-2.6 1,-0.2 -1,-0.2 -0.887 6.5 156.7-101.1 106.2 68.2 41.7 101.4 388 213 B T + 0 0 70 -2,-0.8 21,-1.9 19,-0.3 22,-0.5 0.747 61.8 49.5 -99.8 -30.2 65.7 38.9 101.9 389 214 B Q S S- 0 0 74 19,-0.1 19,-0.2 18,-0.1 18,-0.2 -0.731 102.5 -83.7-108.2 157.1 62.5 40.9 101.6 390 215 B P - 0 0 21 0, 0.0 16,-0.2 0, 0.0 15,-0.1 -0.350 31.5-159.1 -64.3 139.8 61.6 43.4 98.8 391 216 B Q + 0 0 112 14,-2.9 2,-0.3 -4,-0.1 15,-0.1 -0.133 55.0 96.8-108.7 35.3 63.0 46.9 99.4 392 217 B I - 0 0 38 13,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.794 51.4-164.6-129.7 165.5 60.7 48.8 97.1 393 218 B Q S S- 0 0 94 1,-0.4 -233,-3.1 -2,-0.3 2,-0.3 0.378 85.7 -8.1-120.9 -4.5 57.6 50.9 97.1 394 219 B Q - 0 0 77 -235,-0.2 -1,-0.4 -234,-0.1 2,-0.4 -0.945 66.9-120.5-174.0 173.1 57.0 50.8 93.3 395 220 B T 0 0 30 -2,-0.3 -231,-0.1 -231,-0.2 -226,-0.0 -0.992 360.0 360.0-134.6 142.2 58.8 49.6 90.2 396 221 B Q 0 0 206 -2,-0.4 -1,-0.1 -233,-0.1 -232,-0.1 0.760 360.0 360.0-115.5 360.0 59.8 51.6 87.1 397 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 398 223 B V 0 0 53 0, 0.0 2,-0.2 0, 0.0 -230,-0.0 0.000 360.0 360.0 360.0 121.5 63.2 45.4 86.4 399 224 B T >> - 0 0 73 1,-0.1 4,-2.1 -25,-0.0 3,-1.0 -0.714 360.0-109.1-113.2 161.2 66.9 45.4 85.4 400 225 B Q T 34 S+ 0 0 48 1,-0.2 4,-0.3 -2,-0.2 -1,-0.1 0.884 120.8 49.1 -49.0 -39.9 69.8 43.1 86.0 401 226 B D T 34 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.631 118.2 35.0 -84.7 -13.9 71.2 45.7 88.4 402 227 B T T X4 S+ 0 0 64 -3,-1.0 3,-1.9 2,-0.1 4,-0.2 0.509 87.0 94.7-117.9 -1.9 68.1 46.3 90.4 403 228 B X G >< S+ 0 0 2 -4,-2.1 3,-2.3 1,-0.3 4,-0.3 0.806 75.7 69.8 -50.9 -34.5 66.5 42.8 90.5 404 229 B F G > S+ 0 0 53 -4,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.758 82.5 71.5 -61.2 -21.7 68.2 42.3 93.9 405 230 B L G < S+ 0 0 46 -3,-1.9 -14,-2.9 1,-0.3 -1,-0.3 0.625 82.4 72.2 -69.8 -12.5 65.9 44.8 95.4 406 231 B L G < S- 0 0 12 -3,-2.3 4,-0.4 -16,-0.2 -1,-0.3 0.700 109.0-121.0 -73.3 -19.6 63.1 42.2 95.1 407 232 B G <> - 0 0 0 -3,-1.6 4,-2.4 -4,-0.3 3,-0.3 0.263 13.7 -91.0 92.9 145.7 64.8 40.2 97.9 408 233 B S H > S+ 0 0 1 -21,-2.6 4,-2.8 1,-0.2 5,-0.3 0.808 117.9 63.2 -63.6 -31.6 66.3 36.8 98.1 409 234 B D H > S+ 0 0 43 -21,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.956 113.1 35.0 -57.6 -49.0 63.1 35.1 99.4 410 235 B A H > S+ 0 0 6 -22,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.910 116.9 53.3 -71.2 -42.5 61.3 36.0 96.1 411 236 B L H X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.925 108.4 50.4 -61.4 -43.1 64.3 35.5 93.9 412 237 B K H X S+ 0 0 102 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.897 110.4 50.0 -60.1 -39.8 65.0 32.0 95.2 413 238 B S H X S+ 0 0 4 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.884 107.0 54.3 -67.4 -37.2 61.4 31.1 94.6 414 239 B X H < S+ 0 0 7 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.873 113.7 43.0 -62.2 -38.1 61.6 32.4 91.0 415 240 B I H >< S+ 0 0 38 -4,-1.8 3,-1.7 -5,-0.2 -2,-0.2 0.934 113.0 50.6 -73.5 -47.6 64.6 30.2 90.4 416 241 B Q H 3< S+ 0 0 100 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.857 117.3 41.3 -58.1 -37.8 63.1 27.1 92.2 417 242 B N T >< S+ 0 0 34 -4,-2.3 3,-1.4 -5,-0.2 4,-0.3 0.090 75.7 122.0-100.6 22.8 59.9 27.4 90.1 418 243 B E G X + 0 0 72 -3,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.835 66.0 64.7 -56.5 -33.4 61.5 28.2 86.8 419 244 B A G 3 S+ 0 0 79 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.793 105.9 42.6 -64.6 -27.5 59.9 25.2 85.1 420 245 B T G < S+ 0 0 52 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.294 84.7 116.0-102.7 11.0 56.4 26.6 85.5 421 246 B R < - 0 0 22 -3,-1.5 -280,-0.1 -4,-0.3 -53,-0.0 -0.693 68.7-123.8 -78.9 120.7 57.3 30.2 84.6 422 247 B P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.275 26.7-104.8 -61.6 149.1 55.4 31.1 81.4 423 248 B L - 0 0 18 1,-0.1 2,-1.0 -55,-0.0 -58,-0.1 -0.398 28.7-118.1 -68.5 151.8 57.3 32.4 78.4 424 249 B A - 0 0 76 -60,-0.3 2,-0.2 -2,-0.1 -1,-0.1 -0.788 36.2-164.5 -95.2 96.5 57.2 36.1 77.6 425 250 B F - 0 0 50 -2,-1.0 -64,-0.0 1,-0.1 -65,-0.0 -0.590 7.4-136.6 -88.1 145.1 55.6 36.3 74.1 426 251 B S > - 0 0 55 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.397 26.9-104.3 -94.7 168.8 55.8 39.4 72.0 427 252 B P H > S+ 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.882 122.0 58.1 -56.5 -38.8 53.1 41.2 69.9 428 253 B A H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 102.9 53.0 -62.1 -37.3 54.8 39.7 66.8 429 254 B Y H > S+ 0 0 22 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.932 111.0 45.9 -61.0 -46.0 54.2 36.2 68.2 430 255 B Y H X S+ 0 0 26 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.806 107.9 56.9 -70.3 -27.7 50.5 37.0 68.7 431 256 B Q H X S+ 0 0 111 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.869 106.2 51.1 -68.1 -35.7 50.3 38.5 65.2 432 257 B T H X S+ 0 0 20 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 111.0 47.4 -63.6 -44.7 51.6 35.2 63.9 433 258 B K H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 111.5 51.9 -60.4 -43.5 48.9 33.4 65.9 434 259 B Q H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.928 110.0 47.5 -58.7 -47.1 46.3 35.9 64.6 435 260 B T H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 110.6 53.2 -64.3 -38.4 47.3 35.3 60.9 436 261 B L H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.918 108.4 49.0 -62.6 -43.6 47.2 31.5 61.5 437 262 B L H X S+ 0 0 50 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.919 114.2 47.1 -61.2 -41.6 43.7 31.7 62.9 438 263 B D H X S+ 0 0 33 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.883 110.3 50.1 -70.0 -37.4 42.6 33.8 59.9 439 264 B I H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.897 110.3 51.3 -69.0 -34.0 44.2 31.6 57.3 440 265 B K H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.727 105.2 58.9 -72.2 -19.9 42.5 28.6 58.9 441 266 B N H 3< S+ 0 0 57 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.622 80.6 108.8 -83.2 -15.1 39.3 30.4 58.7 442 267 B L << - 0 0 31 -3,-0.9 2,-0.4 -4,-0.6 -3,-0.0 -0.392 50.0-166.8 -65.6 139.5 39.5 30.9 54.9 443 268 B K - 0 0 78 -2,-0.1 2,-0.6 -191,-0.1 -187,-0.1 -0.954 8.6-151.0-131.2 111.2 37.0 28.7 52.9 444 269 B V + 0 0 25 -2,-0.4 2,-0.2 -105,-0.1 -105,-0.0 -0.746 31.3 153.5 -87.9 120.3 37.6 28.5 49.2 445 270 B T > - 0 0 64 -2,-0.6 3,-1.3 0, 0.0 4,-0.5 -0.738 62.0 -86.6-133.3-180.0 34.4 27.9 47.2 446 271 B A T 3 S+ 0 0 67 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.681 127.2 55.9 -65.6 -16.0 33.0 28.6 43.8 447 272 B D T 3 S+ 0 0 126 1,-0.2 -195,-0.3 3,-0.0 -1,-0.3 0.616 84.1 86.2 -89.2 -12.9 32.0 32.0 45.0 448 273 B T S < S+ 0 0 11 -3,-1.3 -195,-2.1 -196,-0.1 2,-0.3 0.875 100.2 6.6 -57.9 -43.2 35.5 33.0 46.1 449 274 B V - 0 0 1 -4,-0.5 2,-0.3 -197,-0.2 -199,-0.2 -0.932 55.6-168.5-140.5 158.9 36.7 34.3 42.8 450 275 B H - 0 0 47 -2,-0.3 3,-0.1 -204,-0.1 -175,-0.1 -0.951 10.0-158.2-141.9 159.3 35.4 35.1 39.3 451 276 B V + 0 0 0 -2,-0.3 2,-0.3 1,-0.2 -172,-0.3 0.472 69.4 9.4-121.8 -6.4 37.4 35.9 36.2 452 277 B Y - 0 0 31 -208,-0.2 2,-0.3 -173,-0.1 -1,-0.2 -0.981 53.2-150.0-158.7 164.1 35.0 37.8 33.9 453 278 B R E -E 243 0B 34 -210,-1.9 -210,-2.1 -2,-0.3 2,-0.5 -0.980 29.4-110.3-133.9 153.9 31.6 39.5 33.8 454 279 B Y E +E 242 0B 47 -2,-0.3 -212,-0.3 -212,-0.2 3,-0.2 -0.697 28.0 174.6 -80.6 127.8 29.2 39.8 30.8 455 280 B V E S+ 0 0 12 -214,-3.2 2,-0.3 -2,-0.5 -213,-0.2 0.707 90.1 7.1 -87.3 -35.8 28.7 43.3 29.4 456 281 B X E S-E 241 0B 15 -215,-2.3 -215,-2.2 -3,-0.1 -1,-0.4 -0.942 81.3-133.1-147.7 123.7 26.6 41.5 26.7 457 282 B K - 0 0 144 -2,-0.3 -218,-0.2 -217,-0.2 -215,-0.0 -0.303 52.7 -64.8 -70.7 159.0 25.7 37.8 26.6 458 283 B P - 0 0 11 0, 0.0 -218,-0.2 0, 0.0 -1,-0.2 -0.141 61.8-129.3 -48.4 129.0 26.1 35.8 23.4 459 284 B T - 0 0 20 -220,-2.1 -404,-0.0 -3,-0.1 -3,-0.0 -0.402 2.3-130.6 -81.2 154.5 23.8 37.1 20.8 460 285 B L - 0 0 68 -402,-0.1 -143,-0.1 -2,-0.1 -222,-0.1 -0.912 35.3-132.5 -97.9 103.9 21.3 35.2 18.6 461 286 B P - 0 0 9 0, 0.0 -141,-0.1 0, 0.0 -142,-0.1 -0.343 15.7-161.2 -65.2 133.5 22.2 36.5 15.2 462 287 B V S S+ 0 0 64 1,-0.1 2,-0.3 -2,-0.1 -146,-0.1 0.757 76.3 40.3 -82.7 -26.0 19.2 37.6 13.1 463 288 B R 0 0 116 -226,-0.1 -226,-0.4 -147,-0.1 -1,-0.1 -0.943 360.0 360.0-126.8 147.0 21.1 37.5 9.8 464 289 B R 0 0 216 -2,-0.3 -2,-0.1 -228,-0.1 -149,-0.0 -0.244 360.0 360.0 -70.5 360.0 23.7 35.0 8.4