==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JAN-07 2OOC . COMPND 2 MOLECULE: HISTIDINE PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 209 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 83.7 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 . 1 0.5 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 . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 1 0 0 0 2 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 1 1 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 . 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 8 A G 0 0 100 0, 0.0 86,-0.1 0, 0.0 85,-0.0 0.000 360.0 360.0 360.0 107.7 33.2 40.0 2.5 2 9 A A + 0 0 20 84,-0.3 60,-0.7 1,-0.1 2,-0.5 0.791 360.0 53.3 -71.6 -32.5 34.1 36.6 0.9 3 10 A V S S- 0 0 10 83,-0.2 2,-1.2 57,-0.2 57,-0.2 -0.922 74.2-140.7-117.1 131.6 30.7 35.1 1.7 4 11 A D >> - 0 0 77 55,-2.5 4,-1.5 -2,-0.5 3,-0.7 -0.731 21.7-177.7 -85.0 92.2 27.3 36.5 0.8 5 12 A F H 3> S+ 0 0 34 -2,-1.2 4,-3.0 1,-0.3 5,-0.2 0.768 77.3 65.5 -72.1 -19.3 25.6 35.6 4.0 6 13 A A H 3> S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.913 101.6 51.0 -62.1 -40.1 22.3 37.0 2.7 7 14 A Y H <> S+ 0 0 105 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.961 112.2 45.3 -60.2 -48.0 22.4 34.2 0.1 8 15 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 50,-0.3 -2,-0.2 0.937 111.4 51.6 -65.6 -41.2 22.9 31.5 2.7 9 16 A E H <>S+ 0 0 61 -4,-3.0 5,-3.0 1,-0.2 6,-0.3 0.901 110.2 50.6 -64.0 -37.2 20.3 32.9 5.0 10 17 A G H ><5S+ 0 0 52 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 0.913 105.6 54.0 -63.4 -44.1 17.8 32.8 2.1 11 18 A F H 3<5S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.3 47.1 -51.4 -37.0 18.7 29.2 1.3 12 19 A A T ><5S- 0 0 7 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.3 0.399 111.3-124.9 -83.5 -0.7 17.8 28.7 5.0 13 20 A A T < 5S- 0 0 94 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.853 72.7 -57.2 49.6 35.5 14.6 30.7 4.7 14 21 A G T 3 - 0 0 92 -3,-2.1 4,-2.0 -6,-0.3 3,-0.8 -0.660 43.6-157.5 -91.3 116.5 16.3 29.8 9.9 16 23 A F H 3> S+ 0 0 88 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.747 87.9 64.0 -68.1 -19.4 19.5 29.8 11.8 17 24 A A H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.878 107.5 44.9 -67.1 -37.8 19.6 26.1 12.5 18 25 A V H <> S+ 0 0 46 -3,-0.8 4,-2.6 -6,-0.2 5,-0.3 0.918 111.8 51.5 -73.2 -40.7 19.9 25.5 8.8 19 26 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.962 110.1 49.6 -54.6 -49.1 22.5 28.2 8.3 20 27 A D H X S+ 0 0 75 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 111.3 50.3 -59.0 -42.2 24.5 26.6 11.1 21 28 A E H X S+ 0 0 106 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.903 111.3 46.5 -59.4 -49.3 24.2 23.2 9.5 22 29 A V H X S+ 0 0 19 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 110.7 51.8 -67.1 -41.4 25.3 24.3 6.1 23 30 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.919 110.9 49.7 -59.8 -42.8 28.3 26.3 7.5 24 31 A A H X S+ 0 0 46 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.938 110.2 50.0 -65.1 -38.6 29.4 23.2 9.4 25 32 A L H X S+ 0 0 83 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.903 110.0 50.6 -63.4 -41.0 29.1 21.0 6.2 26 33 A F H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 109.1 50.5 -65.2 -41.9 31.1 23.5 4.2 27 34 A R H X S+ 0 0 88 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 110.8 50.6 -64.1 -35.7 33.8 23.5 6.9 28 35 A E H X S+ 0 0 128 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.931 110.9 47.0 -66.6 -45.8 33.9 19.7 6.8 29 36 A Q H X S+ 0 0 77 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.921 111.8 52.3 -61.3 -44.2 34.2 19.6 3.0 30 37 A A H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.924 107.7 51.2 -59.6 -45.3 37.0 22.3 3.2 31 38 A A H < S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.889 113.8 45.0 -59.1 -36.3 38.8 20.1 5.7 32 39 A L H < S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.904 124.9 28.9 -69.8 -50.1 38.6 17.1 3.4 33 40 A W H >< S+ 0 0 53 -4,-2.8 3,-1.9 -5,-0.1 4,-0.3 0.774 100.0 76.7 -93.0 -26.1 39.5 18.8 0.1 34 41 A A G >< S+ 0 0 31 -4,-2.5 3,-2.0 -5,-0.3 -1,-0.1 0.856 87.6 61.6 -59.8 -38.1 41.8 21.7 1.0 35 42 A P G 3 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 99.6 59.3 -57.8 -18.8 44.9 19.5 1.6 36 43 A X G < S+ 0 0 36 -3,-1.9 2,-2.3 1,-0.2 5,-0.2 0.476 72.8 102.3 -89.1 -2.6 44.6 18.4 -2.0 37 44 A L < + 0 0 2 -3,-2.0 -1,-0.2 -4,-0.3 44,-0.1 -0.415 58.2 102.3 -82.2 68.0 45.0 22.0 -3.4 38 45 A D S > S- 0 0 63 -2,-2.3 3,-2.5 3,-0.3 6,-0.3 -0.978 76.1-129.7-152.2 128.1 48.6 21.4 -4.3 39 46 A P T 3 S+ 0 0 92 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.726 109.0 56.0 -61.4 -18.4 49.8 20.7 -7.9 40 47 A T T 3 S+ 0 0 113 4,-0.0 -3,-0.1 3,-0.0 -4,-0.0 0.402 90.4 84.3 -93.5 3.4 51.8 17.7 -6.7 41 48 A H S X S- 0 0 79 -3,-2.5 3,-2.5 -5,-0.2 -3,-0.3 -0.923 74.4-145.9-104.4 115.0 48.7 16.1 -5.2 42 49 A P T 3 S+ 0 0 121 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.642 95.1 68.0 -51.6 -21.2 46.7 14.2 -7.9 43 50 A G T 3> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.484 71.0 98.8 -67.7 -9.0 43.5 15.2 -6.1 44 51 A W H <> S+ 0 0 85 -3,-2.5 4,-2.6 -6,-0.3 -1,-0.2 0.852 79.7 47.1 -56.4 -40.7 43.9 18.8 -7.0 45 52 A K H > S+ 0 0 95 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.905 115.2 45.4 -70.4 -43.8 41.6 18.9 -10.0 46 53 A D H > S+ 0 0 99 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.857 111.8 54.4 -64.0 -39.0 38.8 17.1 -8.2 47 54 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.919 107.2 49.3 -58.9 -47.9 39.4 19.3 -5.2 48 55 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.940 113.2 47.9 -60.7 -45.0 39.0 22.5 -7.3 49 56 A H H X S+ 0 0 107 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 114.4 44.9 -58.3 -45.8 35.8 21.1 -8.8 50 57 A T H X S+ 0 0 31 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.938 113.6 49.0 -69.8 -45.4 34.3 20.1 -5.4 51 58 A V H X S+ 0 0 8 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.903 107.6 58.0 -58.5 -40.0 35.3 23.4 -3.7 52 59 A K H X S+ 0 0 37 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.936 109.9 41.5 -59.2 -47.0 33.8 25.3 -6.6 53 60 A G H X S+ 0 0 46 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.887 114.8 50.1 -70.9 -36.4 30.4 23.7 -6.1 54 61 A A H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 6,-0.2 0.904 111.0 51.6 -65.1 -41.8 30.5 23.9 -2.3 55 62 A A H X>S+ 0 0 0 -4,-2.9 5,-2.4 -5,-0.2 4,-1.0 0.936 110.5 45.2 -59.0 -50.2 31.4 27.5 -2.6 56 63 A R H <5S+ 0 0 86 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.829 108.6 61.0 -67.3 -24.6 28.6 28.4 -4.9 57 64 A G H <5S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 112.9 34.0 -69.5 -36.4 26.3 26.4 -2.6 58 65 A V H <5S- 0 0 10 -4,-1.4 -50,-0.3 -3,-0.5 -1,-0.2 0.401 119.4 -95.3-103.1 0.9 26.9 28.6 0.4 59 66 A G T <5S+ 0 0 0 -4,-1.0 -55,-2.5 -3,-0.3 2,-1.7 0.585 79.2 134.1 95.7 10.0 27.4 32.0 -1.1 60 67 A A >< + 0 0 0 -5,-2.4 4,-2.0 -57,-0.2 -57,-0.2 -0.551 24.8 160.2 -88.1 69.1 31.2 32.1 -1.4 61 68 A F H > + 0 0 78 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.860 64.4 54.2 -69.2 -38.5 30.8 33.4 -4.9 62 69 A N H > S+ 0 0 83 -60,-0.7 4,-2.5 -3,-0.2 -1,-0.2 0.932 108.9 50.2 -60.0 -44.0 34.3 34.9 -5.3 63 70 A L H > S+ 0 0 3 -61,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.916 108.6 53.1 -58.9 -44.9 35.8 31.5 -4.3 64 71 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.937 110.1 47.6 -54.4 -45.1 33.6 29.8 -6.9 65 72 A E H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 109.6 52.1 -62.7 -45.6 34.9 32.2 -9.5 66 73 A V H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 110.1 49.9 -59.2 -41.8 38.5 31.7 -8.5 67 74 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.907 109.8 49.9 -62.1 -43.8 38.0 28.0 -8.9 68 75 A E H X S+ 0 0 71 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.901 112.2 48.7 -60.8 -41.2 36.4 28.4 -12.3 69 76 A R H <>S+ 0 0 82 -4,-2.5 5,-3.0 2,-0.2 6,-0.7 0.874 108.3 53.0 -67.5 -38.0 39.4 30.5 -13.4 70 77 A C H ><5S+ 0 0 12 -4,-2.4 3,-2.1 4,-0.3 -2,-0.2 0.942 107.3 52.2 -62.1 -43.5 41.8 27.9 -12.0 71 78 A E H 3<5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 108.7 51.3 -62.2 -28.8 40.0 25.3 -14.1 72 79 A A T 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.333 120.3-111.9 -86.6 4.3 40.6 27.6 -17.1 73 80 A G T < 5S+ 0 0 67 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.582 91.6 113.0 70.5 15.5 44.3 27.9 -16.3 74 81 A Q S - 0 0 62 -2,-0.3 4,-1.6 1,-0.1 3,-0.1 -0.390 28.8-109.7 -87.8 165.5 46.9 29.2 -9.6 77 84 A L H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 121.6 60.3 -61.9 -33.1 46.2 26.7 -6.8 78 85 A E H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 101.9 52.2 -59.7 -38.5 47.7 29.2 -4.5 79 86 A G H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 109.3 49.3 -65.0 -38.8 44.9 31.6 -5.6 80 87 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.947 110.5 51.3 -61.7 -46.3 42.3 29.0 -4.8 81 88 A R H X S+ 0 0 94 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 111.2 45.9 -58.7 -43.4 43.9 28.4 -1.4 82 89 A T H X S+ 0 0 28 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.883 112.4 50.7 -74.9 -30.4 43.9 32.1 -0.5 83 90 A A H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.892 111.3 49.9 -64.9 -38.3 40.2 32.5 -1.7 84 91 A L H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.932 107.0 54.5 -67.8 -42.0 39.3 29.5 0.5 85 92 A D H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.924 108.5 49.2 -54.8 -46.5 41.1 31.1 3.4 86 93 A A H X S+ 0 0 12 -4,-1.8 4,-1.9 1,-0.2 -84,-0.3 0.888 111.9 47.9 -64.6 -36.8 39.0 34.3 3.0 87 94 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.941 113.2 47.4 -71.1 -41.2 35.8 32.3 2.8 88 95 A L H X S+ 0 0 36 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.854 109.1 55.4 -64.4 -36.4 36.7 30.2 5.9 89 96 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.941 111.8 43.8 -58.1 -47.2 37.7 33.5 7.8 90 97 A D H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 114.0 48.7 -65.5 -47.4 34.2 34.8 7.1 91 98 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 111.8 48.5 -63.9 -44.5 32.4 31.6 8.0 92 99 A A H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.906 112.4 49.4 -62.9 -39.9 34.2 31.1 11.2 93 100 A A H X S+ 0 0 12 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.875 108.0 52.9 -67.3 -36.4 33.6 34.7 12.2 94 101 A Y H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 109.2 49.7 -65.7 -43.5 29.8 34.5 11.4 95 102 A A H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 111.6 49.7 -60.5 -42.1 29.6 31.4 13.7 96 103 A H H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 107.4 52.9 -61.5 -44.3 31.4 33.4 16.4 97 104 A E H X S+ 0 0 113 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.860 105.5 54.9 -58.0 -40.2 29.1 36.3 16.0 98 105 A Q H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.938 110.4 46.6 -60.3 -44.1 26.0 34.0 16.4 99 106 A A H X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.897 111.7 50.2 -66.1 -39.8 27.5 32.8 19.7 100 107 A L H X S+ 0 0 19 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.870 109.1 52.0 -65.4 -38.9 28.3 36.3 20.9 101 108 A R H < S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.944 107.3 52.5 -62.9 -47.7 24.7 37.4 20.1 102 109 A S H < S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.836 113.1 46.4 -59.0 -31.4 23.4 34.5 22.2 103 110 A L H < 0 0 17 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 360.0 360.0 -74.9 -45.3 25.6 35.7 25.1 104 111 A K < 0 0 97 -4,-2.4 9,-0.0 -5,-0.1 12,-0.0 -0.440 360.0 360.0-100.2 360.0 24.9 39.4 25.1 105 !* 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 0.0 106 8 B G 0 0 118 0, 0.0 86,-0.1 0, 0.0 85,-0.0 0.000 360.0 360.0 360.0 145.4 45.6 42.1 31.2 107 9 B A + 0 0 27 84,-0.2 60,-0.6 1,-0.1 2,-0.5 0.859 360.0 43.4 -62.3 -42.7 44.9 41.4 27.5 108 10 B V S S- 0 0 7 57,-0.2 2,-1.5 83,-0.2 57,-0.2 -0.946 72.4-141.5-118.7 125.2 41.3 40.1 27.9 109 11 B D > + 0 0 74 55,-2.4 4,-1.5 -2,-0.5 3,-0.3 -0.661 25.6 175.0 -82.9 85.5 38.7 41.7 30.2 110 12 B F H > S+ 0 0 32 -2,-1.5 4,-3.2 1,-0.2 5,-0.2 0.818 74.5 62.5 -65.6 -27.2 37.1 38.5 31.5 111 13 B A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 100.8 53.1 -63.8 -42.6 34.8 40.5 33.9 112 14 B Y H 4 S+ 0 0 73 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.963 114.9 40.2 -52.9 -53.5 33.2 42.1 30.9 113 15 B L H >< S+ 0 0 0 -4,-1.5 3,-1.5 50,-0.2 4,-0.3 0.927 114.1 51.9 -68.5 -42.2 32.4 38.8 29.3 114 16 B E H >< S+ 0 0 55 -4,-3.2 3,-2.2 1,-0.3 -1,-0.2 0.832 94.3 74.3 -65.3 -29.7 31.4 37.0 32.6 115 17 B G T 3< S+ 0 0 66 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.703 95.1 51.0 -53.3 -27.2 29.0 39.9 33.3 116 18 B F T < S+ 0 0 70 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.520 81.2 120.5 -87.1 -9.0 26.7 38.5 30.6 117 19 B A < - 0 0 30 -3,-2.2 2,-0.5 -4,-0.3 4,-0.1 -0.355 44.6-164.8 -70.0 138.5 26.7 34.9 31.9 118 20 B A - 0 0 90 2,-0.5 2,-1.5 -2,-0.1 5,-0.1 -0.978 68.7 -23.9-127.8 106.9 23.2 33.7 32.9 119 21 B G S S+ 0 0 94 -2,-0.5 2,-0.3 2,-0.1 -2,-0.1 -0.262 130.3 3.2 86.8 -52.5 23.0 30.6 35.0 120 22 B D S S- 0 0 101 -2,-1.5 -2,-0.5 0, 0.0 3,-0.3 -0.876 73.3-104.0-150.3-173.0 26.4 29.2 34.1 121 23 B F S > S+ 0 0 67 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.250 77.2 113.0-102.9 13.2 29.5 29.9 32.0 122 24 B A H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 83.7 41.0 -51.9 -43.9 28.9 27.6 29.1 123 25 B V H > S+ 0 0 44 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.892 112.5 53.2 -79.0 -39.7 28.4 30.4 26.6 124 26 B V H > S+ 0 0 1 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.958 112.0 47.7 -55.1 -46.5 31.3 32.5 27.9 125 27 B D H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.892 110.8 51.8 -63.3 -38.5 33.5 29.4 27.5 126 28 B E H X S+ 0 0 93 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.938 107.3 50.6 -63.7 -47.2 32.1 28.8 23.9 127 29 B V H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.862 113.7 45.9 -65.4 -33.3 32.9 32.3 22.7 128 30 B L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.902 111.3 51.3 -70.6 -41.5 36.5 32.1 24.0 129 31 B A H X S+ 0 0 57 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.906 110.3 49.8 -62.3 -39.4 37.0 28.7 22.6 130 32 B L H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.872 109.3 52.1 -70.0 -37.8 35.8 29.9 19.2 131 33 B F H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.971 112.3 45.2 -56.6 -51.3 38.1 32.9 19.4 132 34 B R H >< S+ 0 0 164 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.902 111.3 52.7 -61.4 -42.9 41.1 30.6 20.1 133 35 B E H >< S+ 0 0 106 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.916 106.4 54.2 -59.8 -40.5 40.0 28.2 17.3 134 36 B Q H >X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 3,-0.8 0.745 92.0 74.1 -67.5 -24.5 39.9 31.0 14.8 135 37 B A H S+ 0 0 41 -3,-0.8 4,-1.3 -4,-0.4 -2,-0.2 0.856 114.2 60.7 -89.4 -34.7 43.9 30.7 10.4 138 40 B W H X S+ 0 0 2 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.914 96.7 60.6 -54.0 -46.2 44.2 34.3 11.5 139 41 B A H >< S+ 0 0 45 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.922 108.7 39.6 -55.8 -53.6 48.0 34.0 12.2 140 42 B P H 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.759 113.8 56.0 -66.5 -26.2 49.0 33.1 8.6 141 43 B X H 3< S+ 0 0 0 -4,-1.3 2,-2.0 -3,-0.4 -2,-0.2 0.716 87.9 78.1 -74.8 -20.7 46.6 35.5 7.2 142 44 B L S << S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.7 44,-0.1 -0.357 74.0 105.7 -85.0 64.4 48.1 38.4 9.1 143 45 B D S > S- 0 0 62 -2,-2.0 3,-2.1 3,-0.1 6,-0.3 -0.998 75.1-132.4-149.7 127.5 51.0 38.5 6.6 144 46 B P T 3 S+ 0 0 86 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.612 106.2 60.7 -73.7 -6.3 51.2 41.3 4.1 145 47 B T T 3 S+ 0 0 116 4,-0.0 -3,-0.1 3,-0.0 -4,-0.0 0.536 85.4 91.6 -88.6 -8.0 51.9 38.7 1.3 146 48 B H S X S- 0 0 18 -3,-2.1 3,-1.9 -5,-0.2 4,-0.2 -0.752 75.0-143.9 -84.0 123.8 48.5 37.2 2.0 147 49 B P T 3 S+ 0 0 98 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.713 98.5 54.4 -58.6 -23.7 45.8 38.8 -0.2 148 50 B G T 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.211 71.7 110.9 -90.0 12.8 43.3 38.5 2.6 149 51 B W H <> S+ 0 0 66 -3,-1.9 4,-2.6 -6,-0.3 5,-0.2 0.872 77.4 51.0 -65.0 -36.9 45.3 40.3 5.3 150 52 B K H > S+ 0 0 143 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.896 110.1 50.2 -65.6 -37.4 43.1 43.3 5.5 151 53 B D H > S+ 0 0 70 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.903 110.3 51.3 -61.5 -39.0 40.0 41.1 5.8 152 54 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.925 108.2 50.7 -69.5 -40.4 41.8 39.2 8.6 153 55 B V H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.937 112.0 47.5 -61.6 -46.3 42.6 42.5 10.5 154 56 B H H X S+ 0 0 111 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.909 114.4 47.1 -56.5 -43.1 39.0 43.5 10.2 155 57 B T H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.908 110.8 50.1 -68.2 -45.9 37.8 40.2 11.4 156 58 B V H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.907 106.7 57.6 -57.3 -43.7 40.2 40.0 14.3 157 59 B K H X S+ 0 0 35 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.945 111.3 40.9 -55.4 -48.9 39.1 43.5 15.4 158 60 B G H X S+ 0 0 41 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.903 115.7 49.5 -64.6 -42.7 35.5 42.4 15.7 159 61 B A H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 6,-0.2 0.906 111.2 50.7 -64.3 -42.8 36.3 39.1 17.3 160 62 B A H X>S+ 0 0 0 -4,-3.2 5,-2.3 2,-0.2 4,-0.7 0.947 112.0 45.0 -57.9 -51.8 38.6 40.8 19.8 161 63 B R H ><5S+ 0 0 71 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.912 109.0 60.2 -65.3 -36.8 36.0 43.4 20.9 162 64 B G H 3<5S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.870 112.2 35.1 -54.3 -44.6 33.5 40.7 21.0 163 65 B V H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -3,-0.4 -50,-0.2 0.337 120.5 -98.4 -95.3 4.3 35.3 38.7 23.7 164 66 B G T <<5S+ 0 0 1 -3,-1.0 -55,-2.4 -4,-0.7 2,-1.9 0.546 79.0 135.7 85.7 13.6 36.8 41.6 25.6 165 67 B A >< + 0 0 0 -5,-2.3 4,-2.0 -57,-0.2 -57,-0.2 -0.539 25.8 161.3 -84.3 66.6 40.3 41.6 24.0 166 68 B F H > + 0 0 79 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.884 64.2 53.3 -66.2 -39.3 39.9 45.4 23.8 167 69 B N H > S+ 0 0 104 -60,-0.6 4,-2.3 -3,-0.3 -1,-0.2 0.928 108.4 50.7 -60.6 -44.9 43.6 46.2 23.4 168 70 B L H > S+ 0 0 4 -61,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.907 107.8 53.9 -57.4 -40.9 43.8 43.8 20.5 169 71 B G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.898 110.0 48.0 -59.4 -39.4 40.7 45.5 19.0 170 72 B E H X S+ 0 0 82 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.870 108.5 52.2 -69.3 -41.1 42.5 48.9 19.3 171 73 B V H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.920 110.6 50.1 -61.3 -45.6 45.8 47.6 17.7 172 74 B C H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.918 109.5 49.5 -58.5 -50.1 43.7 46.3 14.8 173 75 B E H X S+ 0 0 86 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.927 112.1 49.4 -53.7 -45.4 42.0 49.7 14.4 174 76 B R H <>S+ 0 0 111 -4,-2.7 5,-2.7 2,-0.2 6,-0.5 0.909 108.2 53.3 -58.5 -41.3 45.4 51.4 14.4 175 77 B C H ><5S+ 0 0 12 -4,-2.6 3,-2.0 4,-0.3 5,-0.2 0.939 106.4 52.4 -61.3 -42.6 46.6 48.9 11.8 176 78 B E H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 109.1 51.1 -61.6 -28.3 43.7 49.8 9.6 177 79 B A T 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.282 121.1-107.5 -89.9 3.9 44.7 53.5 10.0 178 80 B G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.826 93.3 109.6 69.8 29.9 48.3 52.8 9.0 179 81 B Q S - 0 0 59 -2,-0.3 4,-1.7 1,-0.1 -6,-0.1 -0.657 25.0-116.1 -99.3 161.7 52.1 46.9 11.8 182 84 B L H > S+ 0 0 18 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 119.9 58.8 -60.8 -35.6 50.8 43.4 11.1 183 85 B E H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 104.4 51.9 -60.4 -40.1 53.6 42.1 13.4 184 86 B G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 108.9 49.4 -61.4 -39.4 52.0 44.4 16.1 185 87 B V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.933 111.3 48.8 -64.3 -46.4 48.6 42.8 15.5 186 88 B R H X S+ 0 0 82 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.888 110.6 51.3 -60.1 -38.6 50.2 39.3 15.7 187 89 B T H X S+ 0 0 88 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.930 111.7 46.9 -64.6 -46.7 51.9 40.2 19.0 188 90 B A H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.868 111.5 51.9 -63.9 -39.5 48.6 41.5 20.5 189 91 B L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.937 107.6 51.1 -63.3 -44.3 46.8 38.4 19.3 190 92 B D H X S+ 0 0 102 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.895 109.5 51.8 -59.1 -38.5 49.4 36.2 21.0 191 93 B A H X S+ 0 0 48 -4,-2.1 4,-2.0 1,-0.2 -84,-0.2 0.901 109.9 48.2 -66.9 -41.7 48.9 38.1 24.2 192 94 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.5 50.5 -60.9 -45.6 45.2 37.7 24.1 193 95 B L H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.874 108.5 52.4 -56.3 -42.1 45.6 33.9 23.4 194 96 B L H X S+ 0 0 126 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 108.1 50.9 -67.6 -42.7 48.0 33.6 26.4 195 97 B D H X S+ 0 0 44 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.902 110.9 49.0 -58.3 -43.3 45.4 35.3 28.6 196 98 B I H X S+ 0 0 10 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.905 109.1 52.5 -62.4 -38.8 42.8 32.9 27.4 197 99 B A H >< S+ 0 0 59 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.905 108.2 50.7 -62.0 -45.7 45.1 30.0 28.0 198 100 B A H >X S+ 0 0 66 -4,-2.3 3,-1.5 1,-0.2 4,-0.5 0.868 102.6 61.9 -61.8 -35.4 45.7 31.2 31.6 199 101 B Y H 3X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.3 3,-0.3 0.707 83.2 80.2 -63.6 -18.6 41.9 31.4 32.0 200 102 B A H S+ 0 0 149 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.2 0.948 105.9 44.9 -60.7 -44.7 42.8 27.1 35.1 202 104 B E H X S+ 0 0 96 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.875 110.1 54.8 -61.4 -42.2 39.5 28.9 36.2 203 105 B Q H X S+ 0 0 42 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 107.8 49.2 -62.7 -39.5 37.4 26.9 33.7 204 106 B A H X S+ 0 0 64 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.926 111.0 51.2 -64.5 -43.5 38.7 23.6 35.1 205 107 B L H X S+ 0 0 88 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.945 111.6 44.6 -55.9 -53.1 38.0 24.7 38.7 206 108 B R H X S+ 0 0 45 -4,-2.6 4,-1.0 1,-0.2 3,-0.2 0.879 108.2 57.7 -74.7 -28.2 34.4 25.8 38.1 207 109 B S H >< S+ 0 0 94 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.918 105.4 52.1 -60.5 -38.5 33.7 22.6 36.0 208 110 B L H 3< S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 101.6 60.2 -67.5 -25.7 34.7 20.5 39.1 209 111 B K H 3< 0 0 159 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.768 360.0 360.0 -74.3 -23.5 32.3 22.6 41.2 210 112 B G << 0 0 101 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 -0.141 360.0 360.0 69.8 360.0 29.5 21.3 38.9