==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-04 1XDO . COMPND 2 MOLECULE: POLYPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.ZHU,W.HUANG,S.S.LEE,W.XU . 1374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1009 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 130 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 418 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 2 4 2 2 2 0 4 2 6 4 0 6 0 2 0 0 2 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 8 2 0 8 2 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 PARALLEL BRIDGES PER LADDER . 2 4 6 6 6 0 0 4 2 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 4 0 0 2 2 2 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 2 A G 0 0 130 0, 0.0 69,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.1 118.9 101.5 64.5 2 3 A Q + 0 0 191 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.305 360.0 17.1-144.6 -77.7 115.3 101.8 65.6 3 4 A E S S- 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.756 87.4-116.4-115.0 85.2 112.4 100.9 63.2 4 5 A K - 0 0 90 -2,-0.6 3,-0.1 1,-0.2 565,-0.0 0.268 28.7-174.0 -20.9 113.7 113.8 98.8 60.4 5 6 A L S S+ 0 0 82 1,-0.0 564,-0.5 563,-0.0 2,-0.2 0.728 74.7 14.7 -87.9 -24.9 113.4 100.7 57.1 6 7 A Y S S- 0 0 57 562,-0.1 2,-0.4 649,-0.0 562,-0.2 -0.803 83.4-108.2-136.9 177.0 114.7 97.7 55.1 7 8 A I - 0 0 13 560,-2.3 2,-0.1 -2,-0.2 5,-0.1 -0.946 36.6-107.3-114.9 132.6 115.3 94.0 55.8 8 9 A E >> - 0 0 78 -2,-0.4 4,-2.4 1,-0.2 3,-1.1 -0.371 25.8-138.4 -58.1 123.7 118.8 92.6 56.0 9 10 A K H 3> S+ 0 0 13 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.811 101.2 58.7 -54.6 -34.4 119.3 90.6 52.8 10 11 A E H 3> S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.842 109.8 43.2 -66.1 -32.4 121.1 87.8 54.7 11 12 A L H <> S+ 0 0 3 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.878 110.7 55.5 -77.7 -38.4 117.9 87.3 56.8 12 13 A S H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.849 107.4 51.8 -60.7 -33.8 115.8 87.6 53.7 13 14 A W H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.901 103.7 54.0 -70.9 -42.9 117.8 84.8 52.2 14 15 A L H X S+ 0 0 21 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.949 109.8 49.9 -55.7 -44.4 117.3 82.5 55.1 15 16 A S H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.855 108.1 55.1 -60.9 -35.8 113.6 83.1 54.7 16 17 A F H X S+ 0 0 15 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.932 107.6 45.8 -64.2 -48.2 114.0 82.3 51.0 17 18 A N H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.798 108.1 60.1 -66.1 -25.8 115.6 78.9 51.6 18 19 A E H X S+ 0 0 57 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.892 99.9 54.1 -66.8 -38.3 112.9 78.3 54.1 19 20 A R H X S+ 0 0 11 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.885 106.0 54.3 -61.0 -36.3 110.4 78.7 51.3 20 21 A V H >X S+ 0 0 5 -4,-1.4 3,-1.2 1,-0.2 4,-0.7 0.907 105.1 51.9 -63.5 -40.6 112.4 76.0 49.6 21 22 A L H >X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.3 3,-1.1 0.872 98.1 66.0 -62.7 -38.6 112.0 73.8 52.6 22 23 A Q H 3X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.3 -1,-0.3 0.748 95.8 58.7 -54.4 -23.8 108.2 74.4 52.4 23 24 A E H << S+ 0 0 1 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.867 102.2 51.4 -74.0 -34.6 108.5 72.5 49.1 24 25 A A H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.813 117.8 39.8 -68.2 -32.3 109.9 69.5 51.0 25 26 A A H < S+ 0 0 36 -4,-1.6 -2,-0.2 3,-0.0 -1,-0.2 0.901 87.3 104.4 -81.9 -47.9 106.9 69.7 53.3 26 27 A D >< - 0 0 30 -4,-3.0 3,-1.7 -5,-0.2 8,-0.0 -0.129 58.4-158.6 -41.8 105.7 104.2 70.6 50.8 27 28 A K T 3 S+ 0 0 114 1,-0.3 -1,-0.2 7,-0.0 4,-0.1 0.637 82.8 78.5 -67.1 -13.8 102.4 67.3 50.4 28 29 A S T 3 S+ 0 0 72 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.611 83.0 79.0 -71.4 -10.4 101.1 68.4 47.0 29 30 A N S < S- 0 0 3 -3,-1.7 5,-0.1 -6,-0.2 281,-0.0 -0.773 98.5 -97.0 -97.9 145.0 104.5 67.5 45.6 30 31 A P > - 0 0 31 0, 0.0 4,-1.8 0, 0.0 280,-0.2 -0.200 36.9-111.3 -55.8 150.7 105.4 63.8 44.9 31 32 A L H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.917 114.7 44.9 -53.0 -53.8 107.3 62.0 47.6 32 33 A I H > S+ 0 0 7 278,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.849 109.8 56.3 -62.9 -34.0 110.6 61.6 45.8 33 34 A E H > S+ 0 0 33 277,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.888 106.6 50.9 -63.5 -37.1 110.5 65.2 44.6 34 35 A R H X S+ 0 0 6 -4,-1.8 4,-1.6 -3,-0.3 -1,-0.2 0.843 107.6 52.7 -68.3 -33.3 110.2 66.3 48.2 35 36 A M H X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 3,-0.4 0.967 109.2 49.4 -63.1 -53.7 113.2 64.2 49.2 36 37 A R H X S+ 0 0 56 -4,-2.3 4,-1.8 1,-0.3 3,-0.3 0.796 103.1 60.9 -56.4 -33.4 115.3 65.9 46.5 37 38 A F H X S+ 0 0 21 -4,-1.5 4,-3.1 1,-0.2 3,-0.4 0.955 95.7 60.1 -61.7 -45.5 114.1 69.2 47.7 38 39 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.849 105.4 51.4 -47.4 -35.1 115.8 68.5 51.0 39 40 A G H X S+ 0 0 0 -4,-1.0 4,-3.0 260,-0.3 -1,-0.3 0.906 108.7 48.4 -68.6 -43.4 118.9 68.2 48.9 40 41 A I H X S+ 0 0 45 -4,-1.8 4,-2.2 -3,-0.4 -2,-0.2 0.960 110.8 51.5 -58.8 -52.0 118.3 71.6 47.3 41 42 A Y H X S+ 0 0 10 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.905 114.0 44.5 -50.1 -49.2 117.7 73.1 50.7 42 43 A S H X S+ 0 0 15 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.898 110.8 51.6 -64.7 -46.2 121.0 71.7 52.0 43 44 A N H X S+ 0 0 73 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.814 110.9 51.4 -63.0 -28.9 123.0 72.6 48.9 44 45 A N H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 3,-0.4 0.975 109.3 46.0 -71.3 -55.5 121.7 76.1 49.3 45 46 A L H X S+ 0 0 23 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.836 109.9 59.3 -55.7 -32.2 122.6 76.5 53.0 46 47 A D H X S+ 0 0 40 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.942 109.1 40.7 -61.2 -47.9 126.0 75.0 52.0 47 48 A E H X>S+ 0 0 61 -4,-1.6 4,-2.2 -3,-0.4 5,-0.5 0.739 106.7 67.3 -72.8 -22.7 126.6 77.8 49.5 48 49 A F H <>S+ 0 0 2 -4,-2.0 5,-3.3 1,-0.2 6,-0.4 0.931 107.8 36.6 -62.7 -45.7 125.2 80.2 52.0 49 50 A Y H <5S+ 0 0 52 -4,-1.8 5,-0.3 -3,-0.2 -2,-0.2 0.820 116.1 53.4 -75.9 -34.4 128.1 79.6 54.4 50 51 A K H <5S+ 0 0 40 -4,-1.6 180,-2.8 -5,-0.2 -2,-0.2 0.845 130.9 1.2 -69.6 -34.9 130.7 79.3 51.6 51 52 A V T >X5S+ 0 0 48 -4,-2.2 4,-2.6 178,-0.2 3,-0.7 0.635 128.1 37.0-118.5 -88.0 129.8 82.6 50.0 52 53 A R H 3> S+ 0 0 3 -3,-0.7 4,-1.8 -6,-0.4 -2,-0.2 0.845 111.3 52.4 -65.9 -32.9 131.7 84.6 54.4 55 56 A E H X S+ 0 0 38 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 107.3 49.7 -67.3 -49.1 131.0 87.9 52.6 56 57 A L H X S+ 0 0 9 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.908 106.7 57.0 -58.2 -43.6 128.9 89.3 55.5 57 58 A K H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.968 107.6 47.3 -49.4 -61.3 131.7 88.4 57.9 58 59 A R H X S+ 0 0 36 -4,-1.8 4,-4.9 1,-0.2 5,-0.3 0.883 110.2 51.7 -47.7 -50.7 134.3 90.4 55.9 59 60 A R H X S+ 0 0 114 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.914 111.3 47.3 -55.2 -46.4 132.0 93.5 55.7 60 61 A I H X S+ 0 0 7 -4,-2.5 4,-2.0 -3,-0.2 -1,-0.3 0.829 117.2 44.5 -64.3 -32.9 131.4 93.4 59.4 61 62 A I H X S+ 0 0 13 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.962 109.9 52.4 -74.7 -54.3 135.2 93.0 59.8 62 63 A I H < S+ 0 0 25 -4,-4.9 5,-0.4 1,-0.2 4,-0.4 0.827 109.0 54.4 -48.8 -32.2 136.0 95.7 57.2 63 64 A S H >X S+ 0 0 24 -4,-1.9 4,-1.7 -5,-0.3 3,-0.8 0.999 111.5 44.7 -63.2 -63.0 133.6 97.8 59.4 64 65 A E H >< S+ 0 0 58 -4,-2.0 2,-1.1 3,-0.3 3,-0.6 0.896 87.3 79.0 -40.5 -96.8 135.7 97.0 62.5 65 66 A E T 3< S- 0 0 50 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.260 129.7 -15.5 16.7 -55.8 139.5 97.4 61.6 66 67 A Q T <4 S+ 0 0 118 -2,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.471 143.8 10.6-137.8 -30.4 139.1 101.2 61.9 67 68 A G << + 0 0 37 -4,-1.7 2,-0.5 -3,-0.6 -3,-0.3 -0.254 57.0 178.5-160.8 72.6 135.4 102.0 61.9 68 69 A S + 0 0 51 -4,-0.4 -5,-0.1 1,-0.1 -4,-0.1 -0.614 9.5 169.1 -76.9 119.9 132.6 99.4 62.2 69 70 A N + 0 0 145 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.273 40.9 80.7-132.8 54.1 129.1 101.1 62.2 70 71 A S S S- 0 0 66 -10,-0.1 2,-4.3 -69,-0.0 3,-0.3 -0.971 87.3-104.0-151.2 139.7 126.2 98.5 61.8 71 72 A H >> + 0 0 137 -2,-0.3 4,-0.8 1,-0.2 3,-0.7 -0.195 64.2 154.5 -67.5 58.2 124.7 96.3 64.5 72 73 A S H 3> + 0 0 17 -2,-4.3 4,-2.8 1,-0.2 3,-0.4 0.823 62.6 46.6 -53.2 -52.5 126.6 93.5 63.0 73 74 A R H 3> S+ 0 0 145 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.621 110.0 57.1 -74.2 -10.9 127.0 91.0 65.9 74 75 A H H <> S+ 0 0 104 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.712 111.3 43.2 -86.0 -25.6 123.3 91.5 66.6 75 76 A L H X S+ 0 0 12 -4,-0.8 4,-3.6 -3,-0.4 -2,-0.2 0.865 108.0 57.4 -83.7 -45.0 122.7 90.4 63.1 76 77 A L H X S+ 0 0 34 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.948 109.9 47.1 -49.1 -52.7 125.2 87.5 63.3 77 78 A G H X S+ 0 0 43 -4,-1.2 4,-2.0 1,-0.2 5,-0.2 0.956 110.7 49.0 -54.0 -58.6 123.1 86.3 66.2 78 79 A K H X S+ 0 0 89 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.910 110.7 55.9 -49.0 -44.0 119.8 86.6 64.5 79 80 A I H X S+ 0 0 1 -4,-3.6 4,-2.1 1,-0.2 3,-0.4 0.960 111.6 37.5 -56.4 -57.9 121.4 84.8 61.6 80 81 A Q H X S+ 0 0 115 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.693 113.0 60.0 -71.0 -14.1 122.5 81.7 63.5 81 82 A S H X S+ 0 0 68 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.858 108.0 43.6 -78.7 -35.0 119.3 81.8 65.5 82 83 A R H X S+ 0 0 97 -4,-2.1 4,-1.6 -3,-0.4 -2,-0.2 0.878 115.8 50.9 -73.5 -37.5 117.2 81.5 62.4 83 84 A V H X S+ 0 0 9 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.917 110.6 45.3 -65.9 -47.1 119.6 78.8 61.1 84 85 A L H X S+ 0 0 96 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.958 113.1 51.5 -61.4 -48.3 119.5 76.7 64.3 85 86 A K H X S+ 0 0 138 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.840 113.1 47.0 -55.4 -35.8 115.7 77.0 64.4 86 87 A A H >X S+ 0 0 12 -4,-1.6 4,-3.2 2,-0.2 3,-0.6 0.947 105.9 56.4 -72.2 -50.2 115.7 75.9 60.8 87 88 A D H 3X S+ 0 0 74 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.879 108.0 49.0 -50.2 -41.5 118.1 72.9 61.3 88 89 A Q H 3X S+ 0 0 136 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.850 112.5 48.8 -68.8 -31.0 115.7 71.6 64.0 89 90 A E H <>S+ 0 0 6 -4,-3.0 5,-2.3 1,-0.2 3,-0.6 0.906 105.6 53.0 -60.7 -39.9 108.7 56.7 52.5 102 103 A A H ><5S+ 0 0 25 -4,-1.7 3,-2.5 -3,-0.3 -1,-0.2 0.874 101.4 59.7 -61.1 -39.5 108.2 53.6 54.6 103 104 A R H 3<5S+ 0 0 162 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.810 104.5 51.2 -58.8 -30.1 104.4 53.8 54.0 104 105 A N T <<5S- 0 0 71 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.238 128.7-102.4 -91.9 13.7 105.3 53.6 50.3 105 106 A Q T < 5S+ 0 0 72 -3,-2.5 88,-2.1 1,-0.3 2,-0.4 0.702 83.1 125.2 75.8 22.3 107.4 50.5 51.0 106 107 A I E < -a 193 0A 9 -5,-2.3 2,-0.4 86,-0.2 -1,-0.3 -0.912 38.1-169.3-112.1 141.0 110.8 52.2 50.8 107 108 A F E -a 194 0A 50 86,-3.1 88,-3.2 -2,-0.4 2,-1.1 -0.887 16.6-164.5-138.6 108.7 113.2 51.9 53.7 108 109 A L E +a 195 0A 29 -2,-0.4 2,-0.2 86,-0.2 88,-0.2 -0.790 34.7 174.4 -87.2 100.6 116.4 53.9 54.1 109 110 A I E -a 196 0A 27 86,-2.5 88,-0.6 -2,-1.1 2,-0.2 -0.673 23.8-124.3-108.8 165.0 118.0 51.7 56.8 110 111 A N > - 0 0 24 -2,-0.2 3,-1.4 86,-0.1 4,-0.2 -0.549 32.9 -96.8-105.5 172.2 121.4 51.7 58.5 111 112 A E G > S+ 0 0 23 1,-0.3 3,-0.8 2,-0.2 -1,-0.0 0.787 122.7 54.4 -57.0 -30.2 124.2 49.1 59.0 112 113 A R G 3 S+ 0 0 175 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.725 104.3 55.7 -76.9 -20.8 122.9 48.1 62.4 113 114 A Q G < S+ 0 0 109 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.276 81.2 122.0 -95.1 10.9 119.4 47.4 61.0 114 115 A L < - 0 0 17 -3,-0.8 2,-0.2 -4,-0.2 -3,-0.0 -0.250 64.4-112.4 -70.7 162.4 120.5 44.9 58.4 115 116 A S > - 0 0 22 1,-0.1 4,-2.0 0, 0.0 2,-0.6 -0.589 31.0-104.8 -91.4 158.7 119.1 41.4 58.3 116 117 A V T 4 S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.111 123.7 43.0 -70.9 27.9 121.4 38.4 59.0 117 118 A N T > S+ 0 0 92 -2,-0.6 4,-1.1 68,-0.1 -1,-0.2 0.505 105.2 54.0-136.6 -43.5 121.2 37.9 55.2 118 119 A Q H > S+ 0 0 12 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.848 103.3 64.1 -65.2 -34.0 121.7 41.3 53.7 119 120 A Q H X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.3 5,-0.2 0.977 104.8 42.2 -51.6 -60.2 124.8 41.6 55.8 120 121 A N H > S+ 0 0 89 1,-0.2 4,-1.2 -5,-0.2 -1,-0.3 0.765 114.1 55.8 -59.5 -23.2 126.3 38.7 53.9 121 122 A W H X S+ 0 0 89 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.921 107.5 46.3 -75.1 -44.1 124.9 40.3 50.8 122 123 A L H X S+ 0 0 0 -4,-3.4 4,-4.5 -3,-0.2 5,-0.2 0.944 107.3 55.6 -61.5 -53.4 126.7 43.7 51.4 123 124 A R H X S+ 0 0 74 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 112.4 44.6 -46.0 -48.0 130.0 42.2 52.1 124 125 A H H X S+ 0 0 126 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.956 113.9 48.6 -62.6 -51.0 129.9 40.4 48.8 125 126 A Y H X>S+ 0 0 37 -4,-2.6 4,-1.4 1,-0.2 5,-0.7 0.937 112.2 51.1 -53.6 -48.5 128.6 43.6 47.1 126 127 A F H >X>S+ 0 0 1 -4,-4.5 5,-3.1 1,-0.2 4,-0.9 0.933 109.9 46.0 -55.7 -55.1 131.4 45.6 48.7 127 128 A K H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 5,-0.2 0.828 118.6 44.8 -59.8 -31.5 134.3 43.3 47.7 128 129 A Q H 3<5S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.586 134.5 4.4 -91.7 -10.5 132.9 43.1 44.2 129 130 A Y H <<5S+ 0 0 149 -4,-1.4 -3,-0.2 -3,-0.7 -2,-0.2 0.614 129.2 37.2-139.5 -42.3 132.1 46.8 43.6 130 131 A L T >X4 - 0 0 45 -2,-0.9 3,-0.9 27,-0.1 940,-0.0 -0.706 54.0 -98.3-113.3 167.5 150.9 59.1 60.3 141 142 A P T 3 S+ 0 0 117 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.734 126.0 40.0 -57.7 -23.1 153.0 61.9 62.0 142 143 A D T 3 S+ 0 0 113 2,-0.0 2,-0.1 0, 0.0 938,-0.1 0.553 87.2 108.9-102.3 -13.4 154.3 63.0 58.6 143 144 A T < - 0 0 6 -3,-0.9 2,-0.5 1,-0.1 3,-0.2 -0.454 56.0-157.2 -63.1 134.1 151.0 62.6 56.6 144 145 A D > - 0 0 66 1,-0.2 3,-1.7 934,-0.1 5,-0.3 -0.707 16.9-179.5-120.4 82.5 149.7 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637 B V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.911 109.4 54.5 -59.8 -39.6 153.1 26.4 30.5 1325 638 B L H X S+ 0 0 26 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.847 108.1 48.0 -62.7 -36.9 154.2 23.2 28.9 1326 639 B D H >X S+ 0 0 39 -4,-2.0 4,-2.4 -3,-0.2 3,-0.8 0.956 111.2 50.1 -66.9 -52.0 150.7 21.8 28.9 1327 640 B I H 3X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.917 108.9 51.7 -51.6 -48.9 149.3 25.0 27.4 1328 641 B I H 3X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.798 109.4 53.2 -60.7 -25.9 151.9 24.8 24.7 1329 642 B D H < S+ 0 0 26 -4,-2.4 3,-0.9 2,-0.2 30,-0.3 0.935 112.3 52.4 -59.4 -45.2 147.1 22.2 23.7 1331 644 B L H >< S+ 0 0 4 -4,-2.7 3,-2.5 1,-0.3 29,-0.2 0.975 110.8 42.4 -55.1 -63.2 148.3 24.8 21.3 1332 645 B F H 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.519 110.1 62.4 -64.9 -1.5 150.4 22.6 19.0 1333 646 B S T << S+ 0 0 40 -3,-0.9 -1,-0.3 -4,-0.6 25,-0.3 0.353 76.8 125.9-102.3 2.1 147.5 20.1 19.3 1334 647 B D < + 0 0 1 -3,-2.5 25,-0.2 -4,-0.2 23,-0.1 -0.305 28.9 171.2 -62.7 144.2 145.1 22.4 17.6 1335 648 B T S S+ 0 0 3 23,-2.8 17,-0.2 17,-0.1 24,-0.1 -0.145 70.1 54.6-147.5 38.1 143.2 21.0 14.6 1336 649 B V S S+ 0 0 31 22,-0.1 23,-0.1 21,-0.1 -2,-0.0 0.495 120.9 15.9-139.2 -36.0 140.7 23.7 14.0 1337 650 B K S S+ 0 0 0 21,-0.3 -64,-0.8 2,-0.0 2,-0.1 0.520 93.6 111.9-120.4 -16.6 142.5 27.0 13.6 1338 651 B A E -U 1272 0Q 4 -66,-0.2 12,-2.5 12,-0.1 2,-0.3 -0.371 45.0-171.8 -64.7 136.2 146.1 25.9 13.1 1339 652 B R E -UX12711349Q 0 -68,-2.0 -68,-2.2 10,-0.3 10,-0.3 -0.915 22.8-108.9-129.3 154.6 147.5 26.6 9.6 1340 653 B Y E -U 1270 0Q 88 8,-3.1 2,-0.6 -2,-0.3 7,-0.5 -0.563 17.4-142.2 -84.7 148.4 150.8 25.5 8.0 1341 654 B I + 0 0 23 -72,-1.9 -72,-0.3 -2,-0.2 2,-0.3 -0.946 35.4 163.3-107.8 121.9 153.6 27.9 7.3 1342 655 B D > - 0 0 13 -2,-0.6 3,-1.8 -85,-0.1 5,-0.1 -0.896 56.0-107.8-135.9 167.1 155.2 27.0 3.9 1343 656 B K T 3 S+ 0 0 110 -85,-0.4 -86,-0.1 -2,-0.3 -84,-0.0 0.449 120.9 59.9 -74.5 5.3 157.5 28.5 1.3 1344 657 B E T 3 S- 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.384 100.5-135.0-107.8 -5.1 154.3 28.8 -0.7 1345 658 B L < + 0 0 37 -3,-1.8 -2,-0.1 1,-0.1 -4,-0.1 0.840 52.5 150.6 49.6 38.1 152.4 31.0 1.8 1346 659 B S - 0 0 37 1,-0.1 -1,-0.1 2,-0.0 -5,-0.1 0.708 42.5-149.1 -72.4 -24.1 149.4 28.7 1.2 1347 660 B N + 0 0 5 -7,-0.5 -6,-0.1 1,-0.2 2,-0.1 0.874 30.3 175.5 54.6 39.1 147.9 29.1 4.7 1348 661 B R - 0 0 140 -8,-0.2 -8,-3.1 1,-0.1 2,-0.3 -0.453 33.3-108.3 -73.2 151.5 146.6 25.5 4.4 1349 662 B Y B -X 1339 0Q 83 -10,-0.3 -10,-0.3 -2,-0.1 -1,-0.1 -0.657 30.9-107.0 -84.7 134.0 144.8 24.2 7.6 1350 663 B V - 0 0 7 -12,-2.5 2,-0.2 -2,-0.3 -12,-0.1 -0.422 43.1-128.4 -57.4 122.6 146.6 21.6 9.7 1351 664 B P - 0 0 81 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.521 10.8-122.9 -77.3 139.7 144.5 18.4 9.0 1352 665 B R - 0 0 108 -2,-0.2 5,-0.1 -17,-0.2 -17,-0.1 -0.740 31.6-168.7 -85.5 109.1 143.2 16.4 11.8 1353 666 B G - 0 0 49 -2,-0.9 -1,-0.1 1,-0.1 -18,-0.0 0.406 64.1 -49.8 -68.4-141.6 144.6 13.0 11.3 1354 667 B N S S+ 0 0 187 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.364 116.1 111.7 -76.5 9.5 143.1 10.2 13.5 1355 668 B R S S- 0 0 101 1,-0.1 3,-0.0 3,-0.0 -22,-0.0 -0.328 77.9 -82.7 -80.8 164.4 143.8 12.7 16.2 1356 669 B R - 0 0 217 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.195 39.5-107.2 -67.0 155.9 141.3 14.6 18.3 1357 670 B K + 0 0 158 -5,-0.1 2,-0.4 -23,-0.1 -1,-0.1 -0.759 49.6 174.0 -85.7 111.4 139.5 17.8 17.3 1358 671 B V - 0 0 27 -2,-0.8 -23,-2.8 -25,-0.3 2,-0.4 -0.947 29.8-168.3-125.3 143.7 141.0 20.5 19.4 1359 672 B R >> - 0 0 51 -2,-0.4 3,-3.6 -25,-0.2 4,-2.2 -0.814 17.9-158.2-128.0 85.8 140.6 24.3 19.4 1360 673 B A H 3> S+ 0 0 0 -2,-0.4 4,-4.2 1,-0.3 5,-0.4 0.804 86.8 56.9 -28.9 -68.0 143.4 25.5 21.6 1361 674 B Q H 34 S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.661 117.6 37.3 -47.8 -16.6 142.0 28.9 22.5 1362 675 B L H <> S+ 0 0 53 -3,-3.6 4,-1.5 2,-0.1 -1,-0.3 0.792 115.7 50.3-101.7 -41.3 138.9 27.0 23.9 1363 676 B A H X S+ 0 0 30 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.892 103.9 61.8 -62.4 -39.1 140.7 24.0 25.3 1364 677 B I H X S+ 0 0 1 -4,-4.2 4,-2.5 -5,-0.3 -1,-0.2 0.891 102.2 53.4 -54.2 -37.8 143.1 26.4 27.1 1365 678 B Y H > S+ 0 0 22 -5,-0.4 4,-3.6 -3,-0.3 -1,-0.2 0.930 107.7 46.9 -65.0 -45.9 140.0 27.7 28.9 1366 679 B D H X S+ 0 0 98 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.837 110.5 55.3 -64.9 -31.9 138.9 24.3 30.1 1367 680 B Y H X S+ 0 0 53 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.957 114.4 37.8 -64.6 -52.3 142.5 23.6 31.2 1368 681 B I H >X S+ 0 0 6 -4,-2.5 3,-2.1 1,-0.2 4,-1.1 0.973 113.9 56.8 -62.1 -52.5 142.6 26.8 33.3 1369 682 B K H >< S+ 0 0 80 -4,-3.6 3,-0.6 1,-0.3 -1,-0.2 0.844 105.5 51.9 -46.8 -40.5 139.0 26.2 34.4 1370 683 B S H >< S+ 0 0 68 -4,-2.1 3,-0.9 1,-0.2 -1,-0.3 0.755 103.8 58.1 -70.9 -23.1 140.0 22.8 35.7 1371 684 B L H << S+ 0 0 61 -3,-2.1 -1,-0.2 -4,-0.9 -2,-0.2 0.714 102.4 54.6 -78.4 -19.5 142.8 24.4 37.7 1372 685 B E T << S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.116 77.0 121.4-101.7 22.8 140.4 26.5 39.6 1373 686 B Q S < S- 0 0 117 -3,-0.9 -3,-0.0 1,-0.1 -4,-0.0 -0.711 82.6 -81.0 -84.9 135.5 138.1 23.7 40.8 1374 687 B P 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.032 360.0 360.0 -38.6 120.2 137.9 23.6 44.7 1375 688 B E 0 0 150 -3,-0.1 -2,-0.0 -4,-0.1 -3,-0.0 0.584 360.0 360.0 -61.7 360.0 140.9 21.9 46.1