==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-MAR-02 1L5J . COMPND 2 MOLECULE: ACONITATE HYDRATASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.H.WILLIAMS,T.J.STILLMAN,V.V.BARYNIN,S.E.SEDELNIKOVA, . 1724 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1187 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 2 0.1 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 . 85 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 223 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 532 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 1.9 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 8 3 2 1 10 11 11 2 4 3 3 3 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 8 4 2 0 2 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 . 17 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 1 1 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 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 M > 0 0 57 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.0 52.1 -26.2 58.6 2 2 A L H > + 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 360.0 48.1 -50.4 -49.5 54.5 -28.7 60.1 3 3 A E H > S+ 0 0 169 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.953 117.1 41.0 -62.3 -51.4 52.0 -31.0 61.7 4 4 A E H > S+ 0 0 161 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 112.8 58.3 -63.0 -40.0 49.8 -31.3 58.6 5 5 A Y H X S+ 0 0 8 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.900 109.1 40.4 -61.3 -43.4 52.9 -31.5 56.5 6 6 A R H X S+ 0 0 91 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.710 106.7 61.8 -81.4 -17.7 54.4 -34.6 58.2 7 7 A K H X S+ 0 0 148 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.928 108.4 47.0 -63.6 -40.2 51.0 -36.3 58.5 8 8 A H H X S+ 0 0 50 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.909 109.4 52.9 -63.3 -43.3 51.2 -36.1 54.7 9 9 A V H X S+ 0 0 48 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.916 112.5 44.8 -58.1 -44.7 54.8 -37.4 54.7 10 10 A A H X S+ 0 0 61 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.885 109.6 54.2 -67.7 -42.4 53.7 -40.4 56.8 11 11 A E H X S+ 0 0 122 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.920 115.9 41.2 -57.2 -43.4 50.6 -41.0 54.6 12 12 A R H <>S+ 0 0 21 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.852 109.6 54.7 -76.1 -38.3 52.9 -41.1 51.6 13 13 A A H ><5S+ 0 0 63 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.852 102.3 60.3 -64.8 -33.2 55.8 -43.1 53.1 14 14 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.860 108.2 44.5 -60.1 -33.8 53.3 -45.7 54.0 15 15 A E T 3<5S- 0 0 135 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.380 121.5-112.0 -92.5 4.2 52.6 -46.0 50.3 16 16 A G T < 5S+ 0 0 61 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.678 75.7 111.6 78.2 21.2 56.3 -45.9 49.5 17 17 A I < - 0 0 19 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.877 67.8 -96.9-130.4 162.2 56.5 -42.6 47.8 18 18 A A - 0 0 28 -2,-0.3 2,-0.1 1,-0.1 178,-0.1 -0.253 45.0-105.2 -66.2 154.9 57.9 -39.1 48.2 19 19 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.477 40.7 -94.9 -77.7 154.6 55.8 -36.2 49.5 20 20 A K - 0 0 106 -2,-0.1 3,-0.1 1,-0.1 246,-0.1 -0.326 49.1 -95.8 -66.0 151.9 54.4 -33.5 47.2 21 21 A P - 0 0 40 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 -0.218 50.9 -85.8 -63.5 159.4 56.5 -30.3 46.9 22 22 A L - 0 0 3 30,-2.7 2,-0.2 26,-0.2 38,-0.2 -0.378 43.6-143.6 -66.6 145.5 55.5 -27.4 49.1 23 23 A D > - 0 0 74 -3,-0.1 4,-2.5 30,-0.1 5,-0.2 -0.448 32.7 -89.0 -99.2-179.5 52.9 -25.0 47.7 24 24 A A H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 124.9 49.8 -58.3 -45.7 52.6 -21.3 48.1 25 25 A N H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 113.6 45.3 -60.8 -47.9 50.6 -21.3 51.3 26 26 A Q H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 110.8 54.1 -64.2 -36.2 53.0 -23.8 52.9 27 27 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.892 106.7 52.5 -66.1 -36.5 56.0 -21.8 51.7 28 28 A A H X S+ 0 0 48 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.909 110.5 46.1 -64.6 -45.0 54.6 -18.6 53.3 29 29 A A H X S+ 0 0 38 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.880 109.2 57.0 -63.9 -38.0 54.2 -20.3 56.7 30 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 99.0 59.7 -60.5 -39.3 57.7 -21.7 56.3 31 31 A V H X S+ 0 0 13 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.918 105.0 49.1 -54.4 -46.8 59.1 -18.1 55.8 32 32 A E H X S+ 0 0 117 -4,-1.3 4,-1.4 1,-0.2 3,-0.3 0.895 109.6 52.2 -60.5 -41.1 57.7 -17.3 59.3 33 33 A L H < S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.7 54.0 -65.9 -34.3 59.3 -20.4 60.7 34 34 A L H < S+ 0 0 0 -4,-2.1 46,-0.5 1,-0.2 -1,-0.2 0.795 107.5 51.5 -70.5 -27.5 62.7 -19.5 59.3 35 35 A K H < S+ 0 0 89 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.805 129.3 18.4 -77.8 -31.2 62.5 -16.1 60.9 36 36 A N S < S- 0 0 132 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.624 85.6-162.1-140.7 77.5 61.8 -17.7 64.3 37 37 A P - 0 0 25 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.451 17.1-127.6 -70.4 123.8 62.8 -21.3 64.3 38 38 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.405 43.6 -86.8 -64.3 144.4 61.3 -23.6 67.0 39 39 A A T 3 S+ 0 0 97 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.251 110.4 16.8 -58.2 135.2 64.0 -25.6 68.8 40 40 A G T 3 S+ 0 0 66 -3,-0.1 -1,-0.2 1,-0.0 4,-0.2 0.512 102.8 88.8 83.9 4.2 64.9 -28.9 67.2 41 41 A E <> + 0 0 38 -3,-1.6 4,-2.7 1,-0.1 5,-0.3 0.416 51.2 106.9-110.9 2.8 63.5 -28.1 63.8 42 42 A E H > S+ 0 0 71 1,-0.2 4,-1.5 -4,-0.2 5,-0.1 0.839 80.9 43.9 -49.3 -48.1 66.5 -26.5 62.3 43 43 A E H > S+ 0 0 154 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 114.7 48.4 -71.8 -39.2 67.5 -29.3 59.9 44 44 A F H > S+ 0 0 58 2,-0.2 4,-2.5 -3,-0.2 3,-0.3 0.957 111.6 49.3 -61.7 -52.8 64.0 -30.1 58.7 45 45 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.835 111.9 50.0 -58.2 -34.8 63.2 -26.4 58.0 46 46 A L H X S+ 0 0 41 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.3 0.821 110.0 49.7 -75.1 -32.5 66.5 -26.1 56.1 47 47 A D H X>S+ 0 0 78 -4,-1.6 4,-3.0 -3,-0.3 5,-0.6 0.927 110.3 49.5 -71.8 -43.4 65.8 -29.2 54.0 48 48 A L H X5S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.943 114.1 46.0 -58.2 -49.5 62.3 -28.1 53.0 49 49 A L H <5S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 119.6 40.5 -59.2 -43.5 63.6 -24.7 52.0 50 50 A T H <5S+ 0 0 23 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.833 132.5 11.8 -79.1 -35.4 66.5 -26.1 50.1 51 51 A N H <5S+ 0 0 51 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.593 113.5 63.5-123.0 -14.3 65.0 -29.2 48.3 52 52 A R S < + 0 0 6 0, 0.0 3,-1.2 0, 0.0 6,-0.3 -0.114 62.9 32.3 -90.4-167.9 62.0 -23.7 40.9 56 56 A G T 3 S- 0 0 1 37,-2.0 41,-0.7 39,-0.4 371,-0.2 -0.266 121.2 -22.0 63.9-134.4 61.2 -21.0 38.2 57 57 A V T 3 S+ 0 0 6 369,-1.9 -1,-0.2 39,-0.1 370,-0.1 0.036 87.7 136.7-106.5 29.6 58.0 -19.1 38.3 58 58 A D <> - 0 0 27 -3,-1.2 4,-2.0 368,-0.2 3,-0.2 -0.425 68.0-114.3 -65.3 149.4 56.0 -21.5 40.3 59 59 A E H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.864 117.9 52.0 -57.9 -36.0 54.0 -19.6 42.9 60 60 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 106.4 54.7 -68.9 -35.2 56.0 -21.2 45.8 61 61 A A H > S+ 0 0 0 -6,-0.3 4,-3.3 -3,-0.2 5,-0.3 0.897 102.7 57.1 -62.8 -39.7 59.2 -20.1 44.1 62 62 A Y H X S+ 0 0 144 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.945 110.5 43.5 -55.5 -49.2 57.9 -16.5 44.0 63 63 A V H X S+ 0 0 39 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.919 115.0 49.0 -62.9 -45.3 57.5 -16.6 47.8 64 64 A K H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.941 111.9 47.4 -61.7 -50.1 60.9 -18.3 48.3 65 65 A A H X S+ 0 0 2 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.900 110.3 53.0 -59.0 -43.0 62.8 -16.0 46.1 66 66 A G H X S+ 0 0 47 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.922 110.3 48.0 -59.0 -44.7 61.2 -12.9 47.7 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.926 113.4 46.5 -61.8 -48.1 62.2 -14.1 51.2 68 68 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.892 108.1 55.1 -64.7 -41.3 65.8 -14.9 50.2 69 69 A A H X S+ 0 0 26 -4,-2.7 4,-1.3 1,-0.2 6,-0.3 0.919 108.1 50.8 -57.8 -43.9 66.3 -11.6 48.4 70 70 A A H <>S+ 0 0 18 -4,-1.8 6,-1.1 -5,-0.2 5,-0.8 0.874 109.4 50.4 -59.6 -40.0 65.3 -9.8 51.6 71 71 A I H ><5S+ 0 0 3 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.927 110.0 49.7 -65.7 -44.5 67.8 -11.9 53.6 72 72 A A H 3<5S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.741 112.5 48.4 -64.9 -25.5 70.6 -11.1 51.2 73 73 A K T 3<5S- 0 0 171 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.247 112.1-116.4-101.9 12.0 69.7 -7.4 51.4 74 74 A G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 2,-0.2 -4,-0.1 0.318 86.2 119.7 71.5 -11.0 69.5 -7.3 55.2 75 75 A E S -A 81 0A 14 3,-0.6 3,-0.8 -2,-0.4 -43,-0.2 -0.992 29.3-142.4-143.4 133.7 67.1 -15.6 60.1 79 79 A P T 3 S+ 0 0 104 0, 0.0 -44,-0.1 0, 0.0 3,-0.1 0.653 103.3 57.2 -67.1 -14.1 69.3 -17.3 62.6 80 80 A L T 3 S+ 0 0 43 -46,-0.5 2,-0.4 1,-0.1 -45,-0.1 0.648 108.5 39.0 -94.0 -18.2 69.5 -20.3 60.1 81 81 A L B < -A 78 0A 12 -3,-0.8 -3,-0.6 -47,-0.2 -1,-0.1 -0.989 62.0-149.6-139.3 144.8 70.8 -18.5 57.0 82 82 A T >> - 0 0 62 -2,-0.4 4,-2.4 1,-0.1 3,-0.8 -0.736 37.8-106.6-103.5 154.2 73.3 -15.8 56.2 83 83 A P H 3> S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.870 123.5 56.0 -43.4 -42.9 73.1 -13.4 53.3 84 84 A E H 3> S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.911 108.1 47.2 -56.8 -45.1 75.9 -15.4 51.6 85 85 A K H <> S+ 0 0 72 -3,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.884 107.8 56.2 -64.8 -39.9 73.8 -18.6 52.0 86 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 107.5 48.3 -60.8 -40.3 70.7 -16.8 50.6 87 87 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.932 110.3 52.4 -64.5 -45.5 72.6 -15.9 47.4 88 88 A E H < S+ 0 0 112 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.940 112.0 44.9 -56.1 -50.3 73.8 -19.4 47.1 89 89 A L H >< S+ 0 0 6 -4,-2.7 3,-2.2 1,-0.2 4,-0.2 0.879 107.3 58.8 -63.0 -39.6 70.3 -20.8 47.4 90 90 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.877 98.9 60.6 -56.7 -35.5 69.0 -18.2 45.0 91 91 A G T 3< S+ 0 0 25 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.389 96.8 62.0 -73.8 6.6 71.4 -19.6 42.4 92 92 A T T < S+ 0 0 20 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.426 80.8 78.6-110.8 1.4 69.6 -22.9 42.7 93 93 A M S < S- 0 0 5 -3,-1.5 2,-2.4 -4,-0.2 -37,-2.0 0.296 84.8-144.2 -94.1 9.4 66.2 -21.8 41.4 94 94 A Q - 0 0 74 -3,-0.2 30,-0.9 -39,-0.1 2,-0.3 0.030 59.5 -22.6 52.6 -27.8 67.4 -21.8 37.7 95 95 A G S S+ 0 0 1 -2,-2.4 2,-0.6 28,-0.1 -39,-0.4 -0.964 94.8 58.0 172.8 174.1 65.4 -18.8 36.5 96 96 A G S > S+ 0 0 20 28,-0.5 3,-1.2 -2,-0.3 4,-0.4 -0.767 109.0 13.8 92.0-122.3 62.5 -16.5 37.0 97 97 A Y T 3 S+ 0 0 74 -41,-0.7 -1,-0.2 -2,-0.6 -40,-0.1 0.483 119.6 64.7 -74.0 -4.6 62.2 -14.6 40.2 98 98 A N T 3> S+ 0 0 0 -3,-0.2 4,-0.9 -5,-0.2 -1,-0.2 0.591 85.4 73.0 -94.4 -10.8 65.7 -15.4 41.4 99 99 A I H <> S+ 0 0 1 -3,-1.2 4,-2.1 2,-0.2 5,-0.2 0.924 90.2 51.7 -74.4 -45.4 67.6 -13.5 38.7 100 100 A H H > S+ 0 0 105 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.938 111.7 47.2 -56.9 -51.0 67.0 -9.8 39.6 101 101 A P H > S+ 0 0 28 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.815 112.0 53.0 -60.3 -29.4 68.2 -10.3 43.2 102 102 A L H < S+ 0 0 0 -4,-0.9 -2,-0.2 2,-0.2 -3,-0.1 0.863 110.7 45.3 -75.4 -35.6 71.2 -12.1 41.8 103 103 A I H >< S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.2 4,-0.2 0.910 109.5 54.0 -74.8 -42.9 72.1 -9.3 39.5 104 104 A D H >< S+ 0 0 107 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.842 98.9 65.8 -56.6 -34.6 71.7 -6.6 42.1 105 105 A A G >< S+ 0 0 7 -4,-1.2 3,-1.2 1,-0.3 7,-0.4 0.576 82.8 75.3 -67.6 -10.0 74.1 -8.5 44.3 106 106 A L G < S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.3 36,-0.2 0.655 88.0 60.7 -75.9 -14.2 76.8 -7.8 41.8 107 107 A D G < S+ 0 0 108 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.3 0.144 90.5 83.9 -95.9 17.6 77.0 -4.3 43.1 108 108 A D <> - 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0 0 15 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.834 62.3-104.8-119.2 153.0 -9.6 -36.5 9.1 881 18 B A - 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 178,-0.1 -0.208 44.7-101.5 -58.6 150.6 -10.5 -32.9 8.6 882 19 B P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.370 44.4 -94.6 -67.7 157.8 -8.0 -30.5 7.0 883 20 B K - 0 0 101 1,-0.1 3,-0.1 -2,-0.1 246,-0.1 -0.441 47.9 -96.4 -71.1 149.4 -6.1 -28.2 9.3 884 21 B P - 0 0 41 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 -0.183 55.2 -79.1 -60.4 159.7 -7.5 -24.6 9.7 885 22 B L - 0 0 4 30,-2.5 38,-0.2 26,-0.2 2,-0.1 -0.340 41.9-135.6 -66.6 141.5 -6.1 -21.9 7.5 886 23 B D > - 0 0 94 -3,-0.1 4,-2.4 30,-0.1 5,-0.1 -0.322 29.8-103.2 -76.4 171.9 -2.7 -20.2 8.3 887 24 B A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.909 124.2 51.9 -65.1 -41.7 -2.1 -16.5 8.2 888 25 B N H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 112.1 44.3 -60.1 -47.4 -0.3 -17.0 4.8 889 26 B Q H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 111.5 54.4 -64.4 -41.1 -3.3 -18.9 3.4 890 27 B M H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.916 107.1 50.6 -61.0 -42.4 -5.7 -16.4 4.8 891 28 B A H X S+ 0 0 47 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.956 111.9 46.7 -58.9 -50.3 -3.8 -13.6 3.0 892 29 B A H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.881 107.9 57.7 -58.9 -39.0 -4.0 -15.4 -0.3 893 30 B L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.870 99.7 59.3 -59.1 -38.5 -7.7 -16.1 0.3 894 31 B V H X S+ 0 0 15 -4,-1.8 4,-1.6 -3,-0.4 -1,-0.2 0.940 104.7 48.3 -55.5 -50.9 -8.3 -12.4 0.6 895 32 B E H X S+ 0 0 118 -4,-1.4 4,-2.2 1,-0.2 3,-0.3 0.910 111.4 51.1 -57.3 -43.5 -7.0 -11.8 -2.9 896 33 B L H < S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 107.5 52.6 -61.7 -38.7 -9.2 -14.7 -4.2 897 34 B L H < S+ 0 0 0 -4,-2.5 46,-0.5 1,-0.2 -1,-0.2 0.787 109.2 50.3 -69.7 -26.3 -12.2 -13.1 -2.5 898 35 B K H < S+ 0 0 90 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.899 130.4 18.0 -74.4 -41.5 -11.5 -9.9 -4.2 899 36 B N S < S- 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.691 87.3-164.5-133.4 81.4 -11.2 -11.6 -7.6 900 37 B P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.466 18.9-122.1 -79.1 130.9 -12.8 -15.1 -7.4 901 38 B P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.300 45.8 -86.9 -62.0 149.9 -12.3 -17.8 -10.0 902 39 B A T 3 S+ 0 0 95 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.343 110.0 12.0 -63.9 137.5 -15.5 -19.0 -11.6 903 40 B G T 3 S+ 0 0 69 -3,-0.1 3,-0.2 1,-0.1 -1,-0.2 0.250 103.9 90.7 82.4 -12.9 -17.3 -21.8 -9.8 904 41 B E <> + 0 0 41 -3,-1.4 4,-2.5 1,-0.2 5,-0.3 0.396 53.1 107.7 -94.4 4.8 -15.2 -21.5 -6.6 905 42 B E H > S+ 0 0 88 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.877 81.3 38.6 -50.8 -54.3 -17.7 -19.0 -5.0 906 43 B E H > S+ 0 0 170 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 114.3 55.3 -70.3 -31.0 -19.3 -21.2 -2.4 907 44 B F H > S+ 0 0 64 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 109.3 46.6 -67.5 -46.2 -16.0 -23.0 -1.5 908 45 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.915 110.3 51.9 -62.4 -46.6 -14.3 -19.7 -0.8 909 46 B L H X S+ 0 0 53 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.913 109.8 51.6 -58.0 -39.7 -17.1 -18.4 1.3 910 47 B D H X S+ 0 0 77 -4,-1.8 4,-2.9 2,-0.2 5,-0.5 0.902 108.0 50.3 -63.2 -44.0 -17.0 -21.7 3.3 911 48 B L H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.924 115.5 43.7 -57.8 -45.8 -13.2 -21.4 3.9 912 49 B L H < S+ 0 0 0 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.882 119.5 41.1 -67.6 -42.5 -13.7 -17.8 5.2 913 50 B T H < S+ 0 0 23 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.884 132.1 14.4 -77.8 -40.0 -16.7 -18.5 7.3 914 51 B N H < S+ 0 0 52 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.540 114.3 60.4-118.3 -8.4 -15.8 -21.9 8.8 915 52 B R S < S+ 0 0 44 -4,-1.7 -30,-2.5 -5,-0.5 -3,-0.1 0.285 81.2 88.0-112.9 12.6 -12.1 -22.7 8.5 916 53 B V S S- 0 0 1 -4,-0.2 -30,-0.1 -32,-0.2 5,-0.0 -0.927 77.0-117.2-114.0 133.5 -10.3 -19.9 10.3 917 54 B P - 0 0 20 0, 0.0 210,-0.1 0, 0.0 -2,-0.1 -0.269 31.4-132.4 -60.1 151.7 -9.5 -19.9 14.0 918 55 B P > + 0 0 6 0, 0.0 3,-1.0 0, 0.0 6,-0.2 -0.159 63.9 33.1 -92.7-169.7 -11.2 -17.1 16.0 919 56 B G T 3 S- 0 0 1 37,-2.3 41,-0.7 39,-0.4 371,-0.2 -0.289 120.7 -22.0 68.2-138.7 -9.8 -14.8 18.6 920 57 B V T 3 S+ 0 0 5 369,-2.1 -1,-0.2 368,-0.2 2,-0.1 -0.079 87.4 136.2-106.9 35.9 -6.3 -13.5 18.3 921 58 B D <> - 0 0 25 -3,-1.0 4,-1.6 368,-0.2 3,-0.1 -0.485 67.4-114.2 -70.5 151.9 -4.9 -16.2 16.1 922 59 B E H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.864 117.2 51.2 -61.5 -37.0 -2.7 -14.7 13.3 923 60 B A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 106.3 55.1 -67.8 -35.9 -5.1 -15.8 10.6 924 61 B A H > S+ 0 0 0 -6,-0.2 4,-3.2 1,-0.2 5,-0.2 0.848 102.7 57.8 -63.3 -34.2 -8.0 -14.2 12.5 925 62 B Y H X S+ 0 0 141 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.946 109.7 42.7 -61.7 -46.4 -6.0 -11.0 12.4 926 63 B V H X S+ 0 0 41 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.914 115.3 50.5 -65.6 -42.2 -5.9 -11.1 8.6 927 64 B K H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.947 111.2 47.2 -62.5 -47.8 -9.6 -12.1 8.5 928 65 B A H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.918 110.5 51.6 -61.2 -44.8 -10.8 -9.4 10.8 929 66 B G H X S+ 0 0 46 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.864 111.9 47.8 -61.1 -35.2 -8.8 -6.6 9.0 930 67 B F H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.932 112.8 46.5 -72.3 -45.8 -10.3 -7.7 5.6 931 68 B L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.866 111.3 53.5 -64.0 -35.9 -13.8 -7.9 6.9 932 69 B A H X S+ 0 0 16 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.942 108.2 49.5 -63.3 -46.7 -13.4 -4.5 8.6 933 70 B A H <>S+ 0 0 14 -4,-2.0 5,-1.9 1,-0.2 6,-0.8 0.864 110.1 51.1 -61.3 -36.1 -12.2 -3.0 5.3 934 71 B I H ><5S+ 0 0 4 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.871 107.3 54.3 -68.9 -33.1 -15.2 -4.4 3.5 935 72 B A H 3<5S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.5 43.4 -70.0 -31.5 -17.5 -3.0 6.1 936 73 B K T 3<5S- 0 0 124 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.383 113.6-115.0 -96.2 1.1 -16.2 0.5 5.6 937 74 B G T < 5S+ 0 0 61 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.668 84.5 115.8 75.8 18.9 -16.1 0.3 1.8 938 75 B E S -C 944 0N 7 3,-0.5 3,-1.0 -2,-0.3 -43,-0.2 -0.967 29.7-141.9-150.5 134.7 -15.8 -8.2 -3.1 942 79 B P T 3 S+ 0 0 100 0, 0.0 -44,-0.1 0, 0.0 3,-0.1 0.678 106.8 50.5 -65.1 -16.3 -18.4 -9.6 -5.4 943 80 B L T 3 S+ 0 0 36 -46,-0.5 2,-0.4 1,-0.2 -45,-0.1 0.521 106.5 55.2-102.2 -8.1 -19.1 -12.2 -2.7 944 81 B L B < -C 941 0N 12 -3,-1.0 -3,-0.5 -47,-0.2 -1,-0.2 -0.972 57.9-160.8-136.6 124.6 -19.5 -10.0 0.4 945 82 B T > - 0 0 74 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.615 39.5-109.7 -91.1 157.3 -21.7 -7.0 1.2 946 83 B P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.873 122.6 56.2 -51.7 -36.5 -20.8 -4.7 4.1 947 84 B E H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.902 106.6 47.2 -61.8 -45.2 -23.8 -6.2 5.9 948 85 B K H > S+ 0 0 80 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.885 107.8 56.6 -66.2 -39.0 -22.4 -9.7 5.5 949 86 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.889 107.2 48.9 -60.1 -40.3 -18.9 -8.7 6.7 950 87 B I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.924 111.0 50.1 -66.5 -42.1 -20.5 -7.3 9.9 951 88 B E H < S+ 0 0 106 -4,-1.9 -2,-0.2 1,-0.2 3,-0.2 0.934 112.4 47.1 -60.1 -46.3 -22.3 -10.6 10.4 952 89 B L H >< S+ 0 0 6 -4,-2.9 3,-2.1 1,-0.2 4,-0.3 0.875 106.3 56.9 -63.8 -39.8 -19.1 -12.6 9.8 953 90 B L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.864 98.7 65.0 -58.7 -33.0 -17.2 -10.4 12.2 954 91 B G T 3< S+ 0 0 22 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.522 96.8 54.8 -67.7 -7.2 -19.8 -11.4 14.7 955 92 B T T < S+ 0 0 25 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.434 76.3 96.9-103.8 -0.8 -18.7 -15.0 14.6 956 93 B M S < S- 0 0 4 -3,-1.5 -37,-2.3 -4,-0.3 2,-2.1 0.303 83.7-134.7 -80.7 12.1 -15.1 -14.4 15.4 957 94 B Q - 0 0 95 -3,-0.2 30,-0.6 -39,-0.2 29,-0.3 0.111 62.5 -50.6 69.1 -29.0 -15.7 -15.2 19.1 958 95 B G S S+ 0 0 1 -2,-2.1 2,-0.7 -5,-0.2 -39,-0.4 -0.822 93.7 71.2 148.1 170.5 -13.6 -12.1 20.1 959 96 B G S > S+ 0 0 23 28,-0.4 3,-0.7 -2,-0.2 4,-0.4 -0.792 103.6 19.7 101.0-107.6 -10.4 -10.2 19.8 960 97 B Y T 3 S+ 0 0 78 -2,-0.7 -1,-0.2 -41,-0.7 3,-0.1 0.638 117.0 66.6 -77.7 -13.3 -9.7 -8.3 16.6 961 98 B N T 3> S+ 0 0 0 -5,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.614 84.5 75.7 -81.4 -12.2 -13.3 -8.3 15.6 962 99 B I H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.933 88.8 47.8 -74.2 -51.2 -14.5 -6.0 18.4 963 100 B H H > S+ 0 0 96 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.923 111.3 52.5 -59.0 -45.1 -13.4 -2.5 17.4 964 101 B P H > S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 110.9 49.0 -55.7 -38.8 -14.8 -2.8 13.9 965 102 B L H < S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.886 111.9 47.5 -69.2 -39.7 -18.2 -3.9 15.4 966 103 B I H >< S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.934 110.0 52.5 -67.1 -44.7 -18.2 -1.0 17.8 967 104 B D H >< S+ 0 0 74 -4,-3.1 3,-2.3 1,-0.3 -1,-0.2 0.917 100.5 63.8 -54.6 -41.0 -17.4 1.4 15.0 968 105 B A G >< S+ 0 0 8 -4,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.592 82.8 78.0 -64.2 -10.8 -20.2 0.0 13.0 969 106 B L G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.3 36,-0.2 0.709 88.2 57.9 -69.6 -20.3 -22.7 1.3 15.6 970 107 B D G < S+ 0 0 108 -3,-2.3 2,-0.6 -4,-0.3 -1,-0.3 0.207 89.6 88.3 -94.2 13.8 -22.3 4.8 14.2 971 108 B D <> - 0 0 62 -3,-1.4 4,-3.9 1,-0.1 3,-0.2 -0.942 67.7-151.8-117.5 112.0 -23.5 3.6 10.8 972 109 B A T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.813 96.4 43.3 -48.8 -42.0 -27.2 3.7 10.2 973 110 B K T 4 S+ 0 0 163 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.901 124.0 33.8 -72.7 -42.0 -27.2 0.8 7.7 974 111 B L T >> S+ 0 0 7 -3,-0.2 4,-2.4 1,-0.1 3,-1.1 0.803 97.1 84.9 -84.5 -33.0 -24.8 -1.5 9.6 975 112 B A H 3X S+ 0 0 0 -4,-3.9 4,-2.4 1,-0.3 5,-0.2 0.812 87.0 51.6 -39.6 -54.2 -25.8 -0.6 13.2 976 113 B P H 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.897 114.5 45.5 -55.9 -39.4 -28.7 -3.0 13.5 977 114 B I H <> S+ 0 0 46 -3,-1.1 4,-2.1 -4,-0.3 -2,-0.2 0.934 112.6 48.3 -71.8 -45.2 -26.5 -5.8 12.4 978 115 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.825 107.6 57.6 -63.1 -30.1 -23.5 -4.9 14.6 979 116 B A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.896 106.4 48.0 -69.0 -37.8 -25.9 -4.6 17.6 980 117 B K H X S+ 0 0 146 -4,-1.3 4,-0.8 -5,-0.2 -2,-0.2 0.952 112.8 49.8 -64.2 -48.7 -27.1 -8.2 17.1 981 118 B A H >< S+ 0 0 15 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.932 111.6 46.4 -54.6 -53.5 -23.4 -9.4 16.8 982 119 B L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.806 102.2 66.8 -63.1 -28.3 -22.3 -7.6 20.0 983 120 B S H 3< S+ 0 0 4 -4,-1.5 35,-0.3 1,-0.3 -1,-0.3 0.785 108.6 37.7 -65.5 -24.0 -25.3 -8.9 21.9 984 121 B H T << S+ 0 0 89 -3,-1.2 2,-0.6 -4,-0.8 -1,-0.3 0.155 92.2 106.5-113.0 17.8 -24.0 -12.4 21.6 985 122 B T < + 0 0 8 -3,-1.5 3,-0.3 1,-0.1 -27,-0.1 -0.882 39.7 176.3-100.2 118.8 -20.3 -11.5 22.0 986 123 B L > + 0 0 29 -2,-0.6 2,-1.7 -29,-0.3 3,-0.6 0.798 65.1 74.7 -93.2 -31.8 -19.0 -12.5 25.5 987 124 B L T 3 + 0 0 15 -30,-0.6 -28,-0.4 1,-0.2 -1,-0.2 -0.162 57.7 123.1 -80.6 47.3 -15.3 -11.6 25.3 988 125 B M T > + 0 0 0 -2,-1.7 3,-1.9 -3,-0.3 -1,-0.2 0.902 30.7 156.9 -70.2 -44.5 -16.0 -7.9 25.6 989 126 B F G X S- 0 0 92 -3,-0.6 3,-1.8 1,-0.3 4,-0.2 -0.252 76.4 -5.9 50.1-131.1 -13.9 -7.3 28.6 990 127 B D G > S+ 0 0 118 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.752 124.0 76.1 -64.1 -25.2 -12.8 -3.6 28.9 991 128 B N G X> S+ 0 0 36 -3,-1.9 4,-1.3 1,-0.3 3,-1.0 0.703 74.9 83.9 -60.0 -15.2 -14.4 -2.9 25.5 992 129 B F H <> S+ 0 0 4 -3,-1.8 4,-2.1 1,-0.3 3,-0.4 0.887 86.9 52.5 -51.3 -41.1 -17.7 -3.1 27.5 993 130 B Y H <> S+ 0 0 97 -3,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.722 98.4 63.2 -72.7 -21.4 -17.1 0.6 28.5 994 131 B D H <> S+ 0 0 64 -3,-1.0 4,-0.9 -4,-0.5 -1,-0.2 0.886 109.7 41.4 -68.1 -33.1 -16.7 1.6 24.9 995 132 B V H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.4 3,-0.3 0.894 110.5 53.4 -82.0 -42.5 -20.3 0.5 24.3 996 133 B E H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.898 107.0 56.8 -59.0 -36.0 -21.8 1.9 27.5 997 134 B E H X S+ 0 0 137 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.860 105.8 47.1 -64.6 -38.1 -20.2 5.2 26.5 998 135 B K H <>S+ 0 0 40 -4,-0.9 5,-2.3 -3,-0.3 3,-0.4 0.887 111.4 52.6 -71.7 -36.1 -22.0 5.3 23.1 999 136 B A H ><5S+ 0 0 11 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.907 107.7 50.7 -62.2 -42.0 -25.2 4.4 24.8 1000 137 B K H 3<5S+ 0 0 184 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.679 105.4 58.4 -71.3 -16.4 -24.8 7.3 27.3 1001 138 B A T 3<5S- 0 0 89 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.392 129.4 -92.1 -93.5 2.0 -24.2 9.6 24.4 1002 139 B G T < 5S+ 0 0 44 -3,-1.5 2,-0.7 1,-0.3 -3,-0.2 0.388 76.6 142.6 107.9 -4.3 -27.6 8.8 22.9 1003 140 B N >< - 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