==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-MAY-13 4BPQ . COMPND 2 MOLECULE: CITRATE\:SODIUM SYMPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR F.KEBBEL,M.KURZ,M.ARHEIT,M.G.GRUETTER,H.STAHLBERG . 622 29 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 87.8 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 . 0 0.0 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 . 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 487 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.9 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 2 0 0 2 0 5 4 0 0 2 0 2 2 0 0 2 0 2 4 0 0 2 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 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 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 X > 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 12.9 19.5 -7.4 2 2 A X H > + 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.1 -47.0 13.7 16.5 -5.1 3 3 A X H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 109.2 50.9 -57.0 -47.0 16.3 18.6 -3.3 4 4 A X H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 13.8 21.4 -2.7 5 5 A X H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-0.5 0.922 109.2 50.9 -56.9 -47.0 11.2 18.9 -1.3 6 6 A X H X>S+ 0 0 53 -4,-2.4 4,-0.8 1,-0.2 5,-0.6 0.922 109.2 50.9 -57.0 -46.9 13.8 17.5 1.1 7 7 A X H X5S+ 0 0 59 -4,-2.5 4,-2.9 3,-0.3 5,-0.3 0.922 112.7 47.6 -57.1 -47.0 14.6 21.0 2.3 8 8 A X H X5S+ 0 0 49 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.922 128.1 21.2 -57.0 -79.0 11.0 21.7 2.9 9 9 A X H >X5S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 3,-0.9 0.921 129.4 50.9 -57.0 -47.0 9.9 18.5 4.8 10 10 A X H 3X5S+ 0 0 51 -4,-0.8 4,-2.4 -5,-0.5 -3,-0.3 0.789 109.2 50.9 -57.0 -47.1 13.5 17.8 5.8 11 11 A X H 3X 0 0 120 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 29.8 -11.5 15.0 24 32 A X H > + 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.0 26.4 -9.8 14.4 25 33 A X H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 28.2 -6.7 13.0 26 34 A X H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.2 51.0 -57.0 -47.0 30.2 -8.9 10.6 27 35 A X H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 27.0 -10.6 9.4 28 36 A X H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 25.4 -7.2 8.8 29 37 A X H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 28.4 -6.1 6.8 30 38 A X H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 28.2 -9.2 4.7 31 39 A X H X S+ 0 0 60 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 109.2 50.9 -57.0 -47.0 24.5 -8.6 4.0 32 40 A X H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 25.2 -5.1 2.9 33 41 A X H X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 27.9 -6.2 0.6 34 42 A X H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 25.5 -8.8 -1.0 35 43 A X H X S+ 0 0 53 -4,-2.5 4,-2.3 1,-0.2 5,-0.5 0.922 109.2 50.9 -57.0 -47.0 22.9 -6.1 -1.5 36 44 A X H <>S+ 0 0 20 -4,-2.4 5,-0.6 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 25.4 -3.8 -3.2 37 45 A X H X5S+ 0 0 54 -4,-2.4 4,-2.5 3,-0.3 5,-0.3 0.922 112.8 47.6 -56.9 -47.1 26.5 -6.7 -5.5 38 46 A X H X5S+ 0 0 38 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.921 129.5 18.4 -56.9 -82.1 22.8 -7.3 -6.4 39 47 A X H >X5S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 3,-1.0 0.890 131.0 50.9 -57.0 -47.0 21.6 -3.8 -7.2 40 48 A X H 3>5S+ 0 0 14 -5,-0.5 4,-2.4 1,-0.3 -3,-0.3 0.770 109.2 51.0 -57.0 -47.0 25.1 -2.5 -7.6 41 49 A X H 3X 0 0 119 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 5.3 -22.8 -11.0 55 72 A X H > + 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.1 4.8 -19.5 -9.2 56 73 A X H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 1.6 -20.7 -7.7 57 74 A X H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 3.4 -23.8 -6.4 58 75 A X H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 6.1 -21.7 -4.9 59 76 A X H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 3.5 -19.5 -3.1 60 77 A X H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 1.8 -22.6 -1.7 61 78 A X H X S+ 0 0 63 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 5.2 -23.9 -0.4 62 79 A X H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -47.0 5.8 -20.6 1.3 63 80 A X H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 2.4 -20.7 3.0 64 81 A X H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 3.1 -24.2 4.3 65 82 A X H X S+ 0 0 59 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 6.4 -23.1 5.7 66 83 A X H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 4.7 -20.1 7.5 67 84 A X H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 2.1 -22.5 9.0 68 85 A X H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 4.8 -24.8 10.3 69 86 A X H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 6.6 -21.9 11.9 70 87 A X H < S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 3.4 -20.8 13.6 71 88 A X H < S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 51.0 -57.1 -47.0 2.9 -24.3 14.9 72 89 A X H < 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 360.0 360.0 -56.9 -47.1 6.4 -24.4 16.3 73 90 A X < 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.910 360.0 360.0 -56.9 360.0 5.9 -21.0 18.0 74 ! 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 75 101 A X > 0 0 24 0, 0.0 4,-2.5 0, 0.0 127,-0.8 0.000 360.0 360.0 360.0 -47.0 15.8 -11.7 -10.3 76 102 A X H > + 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.922 360.0 51.0 -57.0 -47.0 14.7 -15.2 -9.4 77 103 A X H > S+ 0 0 68 125,-0.5 4,-2.5 1,-0.2 5,-0.4 0.922 109.2 50.9 -56.9 -47.1 18.2 -16.1 -8.3 78 104 A X H >>S+ 0 0 17 120,-0.3 4,-1.2 1,-0.2 5,-0.5 0.922 109.2 50.9 -57.0 -46.9 18.3 -13.0 -6.1 79 105 A X H X5S+ 0 0 44 -4,-2.5 4,-3.1 119,-0.3 5,-0.2 0.922 112.6 47.7 -57.1 -46.9 15.0 -13.9 -4.5 80 106 A X H X5S+ 0 0 68 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.922 127.0 23.1 -57.1 -77.0 16.2 -17.4 -3.8 81 107 A X H >X5S+ 0 0 72 -4,-2.5 4,-2.2 2,-0.2 3,-0.8 0.938 128.2 50.9 -57.1 -47.0 19.6 -16.7 -2.2 82 108 A X H 3X5S+ 0 0 40 -4,-1.2 4,-2.5 -5,-0.4 -3,-0.2 0.802 109.2 50.9 -57.0 -47.0 18.4 -13.2 -1.3 83 109 A X H 3X 0 0 123 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 42.0 6.8 -18.8 92 126 A X H > + 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.0 42.9 5.8 -15.3 93 127 A X H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 43.0 9.4 -14.2 94 128 A X H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 39.5 10.0 -15.7 95 129 A X H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 51.0 -57.0 -47.0 38.2 6.9 -13.9 96 130 A X H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 39.6 8.2 -10.6 97 131 A X H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 38.0 11.6 -11.1 98 132 A X H X>S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.922 109.2 50.9 -57.1 -47.0 34.6 9.9 -11.8 99 133 A X H <>S+ 0 0 37 -4,-2.5 5,-1.1 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 34.9 7.9 -8.6 100 134 A X H X5S+ 0 0 59 -4,-2.4 4,-1.0 3,-0.3 5,-0.3 0.922 113.0 48.0 -57.0 -47.0 35.6 11.0 -6.6 101 135 A X H X5S+ 0 0 72 -4,-2.4 4,-1.1 3,-0.2 -1,-0.2 0.922 133.7 8.9 -57.0 -92.0 32.6 12.7 -8.0 102 136 A X H >X5S+ 0 0 74 -4,-2.1 4,-1.8 -5,-0.1 3,-1.4 0.749 136.2 50.9 -57.1 -47.0 29.7 10.3 -7.7 103 137 A X H 3> 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 2.4 4.4 -13.0 125 167 A X H > + 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.922 360.0 50.9 -57.0 -47.1 5.4 2.2 -12.4 126 168 A X H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.921 109.2 50.9 -57.1 -46.9 7.7 5.2 -12.4 127 169 A X H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.922 109.2 50.9 -57.1 -47.0 5.5 6.9 -9.8 128 170 A X H X S+ 0 0 58 -4,-2.4 4,-3.7 1,-0.2 -1,-0.2 0.922 111.9 48.2 -57.0 -47.0 5.6 3.9 -7.6 129 171 A X H X S+ 0 0 67 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 122.2 31.4 -57.0 -68.0 9.4 3.8 -7.8 130 172 A X H X S+ 0 0 68 -4,-2.6 4,-2.4 2,-0.2 3,-0.4 0.983 122.8 50.9 -56.9 -47.1 10.0 7.4 -7.1 131 173 A X H X S+ 0 0 49 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.852 109.2 50.9 -56.9 -47.0 6.9 7.6 -4.8 132 174 A X H X S+ 0 0 30 -4,-3.7 4,-2.4 -5,-0.3 -1,-0.3 0.922 109.2 50.9 -57.0 -47.0 8.1 4.5 -3.0 133 175 A X H X S+ 0 0 60 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.922 109.2 50.9 -57.1 -47.0 11.5 6.0 -2.4 134 176 A X H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 9.9 9.2 -1.1 135 177 A X H X S+ 0 0 53 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 7.8 7.2 1.4 136 178 A X H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 10.9 5.3 2.6 137 179 A X H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.921 109.2 50.9 -57.1 -47.0 12.7 8.6 3.2 138 180 A X H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 9.7 10.0 5.2 139 181 A X H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 9.7 6.8 7.3 140 182 A X H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.923 109.2 50.9 -57.0 -46.9 13.4 7.2 8.0 141 183 A X H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 12.9 10.8 9.1 142 184 A X H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -47.0 10.1 9.8 11.4 143 185 A X H X S+ 0 0 55 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 12.3 7.2 13.0 144 186 A X H < S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -46.9 15.1 9.8 13.5 145 187 A X H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 12.6 12.1 15.2 146 188 A X H < 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 360.0 360.0 -57.1 -47.0 11.5 9.4 17.5 147 189 A X < 0 0 94 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.910 360.0 360.0 -56.9 360.0 15.1 8.6 18.5 148 ! 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 0.0 149 199 A X > 0 0 122 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 43.9 6.6 10.6 150 200 A X H > + 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.0 42.3 3.2 11.1 151 201 A X H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 39.4 4.1 8.8 152 202 A X H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.2 50.9 -56.9 -47.0 41.9 5.1 6.1 153 203 A X H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -47.0 43.7 1.8 6.4 154 204 A X H X>S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.922 109.2 50.9 -56.9 -47.0 40.5 -0.1 6.1 155 205 A X H <>S+ 0 0 49 -4,-2.5 5,-1.0 1,-0.2 -1,-0.2 0.922 109.2 51.0 -57.1 -46.9 39.6 1.8 3.0 156 206 A X H X5S+ 0 0 56 -4,-2.4 4,-1.3 3,-0.3 5,-0.3 0.922 113.0 47.8 -57.0 -47.0 43.0 1.1 1.5 157 207 A X H X5S+ 0 0 55 -4,-2.5 4,-1.1 3,-0.2 -1,-0.2 0.922 132.9 10.9 -57.0 -90.0 42.5 -2.6 2.2 158 208 A X H >X5S+ 0 0 0 -4,-2.1 4,-1.8 77,-0.2 3,-1.3 0.783 135.2 50.9 -56.9 -47.0 39.0 -3.5 0.9 159 209 A X H 3> 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 6.2 5.1 21.4 177 235 A X H > + 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 360.0 50.9 -56.9 -47.0 3.4 3.2 19.7 178 236 A X H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.2 50.9 -57.0 -47.1 3.3 5.7 16.9 179 237 A X H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 7.0 5.4 16.4 180 238 A X H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 6.7 1.6 16.2 181 239 A X H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 3.9 1.9 13.6 182 240 A X H X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 6.1 4.2 11.5 183 241 A X H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 9.0 1.7 11.7 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35.0 2.6 14.8 286 379 A X H X S+ 0 0 69 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 36.0 -0.6 12.9 287 380 A X H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 32.4 -1.5 12.2 288 381 A X H X S+ 0 0 47 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 31.8 2.0 10.8 289 382 A X H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -56.9 -47.1 34.8 1.7 8.6 290 383 A X H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 33.6 -1.7 7.3 291 384 A X H < 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 360.0 360.0 -57.0 -47.0 30.2 -0.2 6.5 292 385 A X < 0 0 42 -4,-2.4 -13,-1.5 -13,-0.8 -1,-0.2 0.922 360.0 360.0 -57.0 360.0 31.8 2.7 4.6 293 ! 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 0.0 294 395 A X > 0 0 122 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 4.8 20.8 -11.0 295 396 A X H > + 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.1 -47.0 1.5 20.0 -9.4 296 397 A X H > S+ 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-4,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 5.2 16.1 7.3 307 408 A X H X S+ 0 0 34 -4,-1.0 4,-2.4 -5,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 4.3 18.9 9.6 308 409 A X H X S+ 0 0 38 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -46.9 1.3 17.0 10.9 309 410 A X H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 3.5 14.0 11.6 310 411 A X H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 51.0 -57.1 -46.9 6.0 16.2 13.5 311 412 A X H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 3.2 17.6 15.7 312 413 A X H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 1.9 14.1 16.5 313 414 A X H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 5.4 13.1 17.6 314 415 A X H < S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -46.9 5.7 16.1 19.8 315 416 A X H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 2.4 15.3 21.4 316 417 A X H < 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 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349 39 B X H X S+ 0 0 59 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -23.5 8.6 3.9 350 40 B X H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -46.9 -24.2 5.0 2.9 351 41 B X H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 109.2 51.0 -57.0 -47.0 -26.9 6.2 0.5 352 42 B X H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.921 109.2 50.9 -56.9 -47.0 -24.6 8.7 -1.1 353 43 B X H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 5,-0.5 0.922 109.2 50.9 -56.9 -47.0 -21.9 6.0 -1.6 354 44 B X H <>S+ 0 0 17 -4,-2.5 5,-0.6 1,-0.2 4,-0.2 0.922 109.2 50.9 -57.0 -46.9 -24.5 3.8 -3.3 355 45 B X H X5S+ 0 0 54 -4,-2.4 4,-2.5 3,-0.3 5,-0.3 0.922 112.8 47.7 -57.0 -47.1 -25.5 6.6 -5.6 356 46 B X H X5S+ 0 0 38 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.922 129.5 18.4 -57.0 -81.9 -21.9 7.2 -6.5 357 47 B X H >X5S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 3,-1.0 0.891 131.0 50.9 -57.1 -46.9 -20.6 3.7 -7.3 358 48 B X H 3>5S+ 0 0 8 -5,-0.5 4,-2.4 1,-0.3 -3,-0.3 0.770 109.2 50.9 -57.0 -47.0 -24.1 2.5 -7.7 359 49 B X H 3X 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4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -47.0 -2.1 24.1 4.1 383 81 B X H X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 -5.4 23.0 5.6 384 82 B X H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 -3.8 20.1 7.4 385 83 B X H X S+ 0 0 41 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 -1.1 22.4 8.8 386 84 B X H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -3.9 24.8 10.1 387 85 B X H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 51.0 -57.1 -47.0 -5.7 21.8 11.8 388 86 B X H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 -2.5 20.7 13.5 389 87 B X H < S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 -1.9 24.2 14.8 390 88 B X H < 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 360.0 360.0 -57.1 -47.0 -5.5 24.3 16.2 391 89 B X < 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.911 360.0 360.0 -57.0 360.0 -4.9 21.0 17.9 392 ! 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 0.0 393 99 B X > 0 0 24 0, 0.0 4,-2.5 0, 0.0 127,-0.8 0.000 360.0 360.0 360.0 -47.1 -14.8 11.7 -10.4 394 100 B X H > + 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.922 360.0 50.9 -57.0 -46.9 -13.7 15.2 -9.5 395 101 B X H > S+ 0 0 68 125,-0.5 4,-2.5 1,-0.2 5,-0.4 0.922 109.2 50.9 -57.0 -47.0 -17.2 16.1 -8.4 396 102 B X H >>S+ 0 0 17 120,-0.3 4,-1.2 1,-0.2 5,-0.5 0.922 109.2 50.9 -57.0 -47.0 -17.3 13.0 -6.2 397 103 B X H X5S+ 0 0 44 -4,-2.5 4,-3.1 119,-0.3 5,-0.3 0.922 112.6 47.7 -57.0 -46.9 -14.0 13.9 -4.6 398 104 B X H X5S+ 0 0 68 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.922 127.0 23.1 -57.0 -77.0 -15.2 17.4 -3.9 399 105 B X H >X5S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 3,-0.8 0.938 128.2 50.9 -57.0 -47.0 -18.6 16.6 -2.3 400 106 B X H 3X5S+ 0 0 40 -4,-1.2 4,-2.5 -5,-0.4 -3,-0.2 0.802 109.2 50.9 -57.0 -47.0 -17.4 13.1 -1.3 401 107 B X H 3X 0 0 123 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 -41.0 -6.9 -18.9 410 124 B X H > + 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.0 -41.9 -5.9 -15.4 411 125 B X H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -42.0 -9.5 -14.2 412 126 B X H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -38.5 -10.1 -15.7 413 127 B X H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -37.2 -7.0 -13.9 414 128 B X H X S+ 0 0 62 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 -38.6 -8.3 -10.6 415 129 B X H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.0 -37.0 -11.7 -11.1 416 130 B X H X>S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.922 109.2 50.9 -57.0 -47.1 -33.6 -10.0 -11.8 417 131 B X H <>S+ 0 0 37 -4,-2.5 5,-1.1 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.1 -33.9 -7.9 -8.7 418 132 B X H X5S+ 0 0 59 -4,-2.4 4,-1.0 3,-0.3 5,-0.3 0.922 113.0 48.0 -56.9 -47.0 -34.7 -11.1 -6.6 419 133 B X H X5S+ 0 0 72 -4,-2.4 4,-1.1 3,-0.2 -1,-0.2 0.922 133.7 9.0 -57.0 -92.0 -31.6 -12.8 -8.1 420 134 B X H >X5S+ 0 0 35 -4,-2.1 4,-1.8 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109.2 50.9 -56.9 -47.1 -42.7 -1.9 6.4 472 202 B X H X>S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.922 109.2 50.9 -56.9 -47.0 -39.5 0.0 6.1 473 203 B X H <>S+ 0 0 49 -4,-2.5 5,-1.0 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 -38.6 -1.9 2.9 474 204 B X H X5S+ 0 0 56 -4,-2.4 4,-1.2 3,-0.3 5,-0.3 0.921 113.0 47.9 -57.0 -47.0 -42.0 -1.2 1.4 475 205 B X H X5S+ 0 0 55 -4,-2.4 4,-1.1 3,-0.2 -1,-0.2 0.922 132.9 10.8 -57.0 -89.9 -41.5 2.5 2.2 476 206 B X H >X5S+ 0 0 0 -4,-2.1 4,-1.8 77,-0.2 3,-1.3 0.782 135.2 51.0 -57.1 -46.9 -38.1 3.4 0.9 477 207 B X H 3> 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 -5.2 -5.1 21.3 495 233 B X H > + 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 360.0 50.9 -57.0 -47.0 -2.3 -3.2 19.6 496 234 B X H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -46.9 -2.2 -5.7 16.8 497 235 B X H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -47.0 -6.0 -5.4 16.3 498 236 B X H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 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107 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.922 360.0 360.0 -57.0 360.0 -19.7 2.0 4.5 583 ! 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 0.0 584 349 B X > 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 -23.8 -3.7 -4.7 585 350 B X H > + 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.922 360.0 50.9 -57.0 -47.0 -20.4 -4.4 -6.3 586 351 B X H >>S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.922 109.2 50.9 -57.1 -46.9 -21.5 -7.9 -7.3 587 352 B X H 4>S+ 0 0 11 1,-0.2 5,-0.8 2,-0.2 -1,-0.2 0.922 109.2 50.9 -57.1 -46.9 -24.7 -6.6 -8.8 588 353 B X H X5S+ 0 0 28 -4,-2.4 4,-2.0 3,-0.3 5,-0.3 0.922 112.9 47.7 -57.1 -47.0 -22.8 -4.1 -10.9 589 354 B X H X5S+ 0 0 70 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.922 130.9 15.6 -56.9 -85.0 -20.5 -6.8 -12.1 590 355 B X H >X5S+ 0 0 71 -4,-2.3 4,-2.0 2,-0.2 3,-1.1 0.855 132.6 50.9 -57.0 -47.0 -22.9 -9.6 -13.2 591 356 B X H 3> 0 0 15 0, 0.0 4,-2.5 0, 0.0 -114,-0.3 0.000 360.0 360.0 360.0 -47.0 -35.3 2.1 -13.7 600 373 B X H > + 0 0 66 -116,-0.4 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4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 51.0 -57.0 -47.1 -33.9 -2.6 14.7 619 400 B X H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -47.0 -35.0 0.5 12.9 620 401 B X H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -57.0 -47.1 -31.4 1.4 12.2 621 402 B X H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 50.9 -56.9 -46.9 -30.8 -2.1 10.8 622 403 B X H < S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 -33.8 -1.8 8.5 623 404 B X H < S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.2 50.9 -57.0 -47.0 -32.6 1.6 7.2 624 405 B X H < 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 360.0 360.0 -57.1 -47.0 -29.2 0.1 6.4 625 406 B X < 0 0 42 -4,-2.4 -13,-1.5 -13,-0.8 -1,-0.2 0.922 360.0 360.0 -57.0 360.0 -30.8 -2.7 4.5 626 ! 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 0.0 627 416 B X > 0 0 123 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.0 -3.8 -20.8 -11.1 628 417 B X H > + 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 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