==== 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 ISOMERASE 30-JUN-05 2CXN . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.TANAKA,A.HAGA,N.NABA,K.SHIRAIWA,Y.KUSAKABE,K.HASHIMOTO,T.F . 1114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 0.2 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 . 73 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 439 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.5 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 5 0 1 7 1 5 5 1 0 8 2 0 0 0 2 3 2 0 2 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 4 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 PARALLEL BRIDGES PER LADDER . 8 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 0 137 0, 0.0 2,-0.2 0, 0.0 368,-0.1 0.000 360.0 360.0 360.0-171.5 9.4 -25.2 -8.7 2 2 A A > - 0 0 0 1,-0.1 4,-2.1 367,-0.0 5,-0.2 -0.660 360.0-101.6-111.7 166.3 10.8 -21.8 -9.6 3 3 A A H > S+ 0 0 27 -2,-0.2 4,-0.8 1,-0.2 503,-0.1 0.878 117.7 47.2 -54.7 -46.0 12.9 -20.5 -12.5 4 4 A L H >4 S+ 0 0 0 501,-0.3 3,-0.8 1,-0.2 6,-0.3 0.945 114.9 43.9 -63.8 -48.9 16.2 -20.4 -10.5 5 5 A T H 34 S+ 0 0 19 1,-0.2 -1,-0.2 500,-0.1 -2,-0.2 0.776 112.7 53.0 -70.4 -26.4 15.9 -23.9 -8.9 6 6 A R H 3< S+ 0 0 169 -4,-2.1 -1,-0.2 4,-0.1 -2,-0.2 0.640 87.0 105.2 -78.3 -16.7 14.8 -25.4 -12.2 7 7 A N S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.797 97.3 56.0 -66.5 -30.6 20.5 -26.6 -14.7 9 9 A Q H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 62,-0.2 0.837 108.7 49.0 -69.0 -34.1 23.4 -24.1 -14.2 10 10 A F H > S+ 0 0 6 -3,-0.3 4,-2.6 -6,-0.3 5,-0.2 0.917 109.6 49.9 -69.1 -44.4 22.1 -23.3 -10.8 11 11 A Q H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.881 110.2 51.7 -63.3 -36.1 21.8 -27.0 -9.8 12 12 A K H X S+ 0 0 131 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.908 110.3 48.9 -62.3 -44.1 25.4 -27.6 -11.0 13 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.911 112.2 47.9 -61.7 -45.6 26.6 -24.6 -8.9 14 14 A L H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.897 111.6 49.9 -63.8 -43.0 24.7 -26.0 -5.8 15 15 A E H X S+ 0 0 97 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.904 110.8 50.0 -61.2 -43.5 26.1 -29.5 -6.4 16 16 A W H X S+ 0 0 61 -4,-2.4 4,-2.7 2,-0.2 5,-0.5 0.916 109.4 51.8 -60.6 -44.6 29.6 -28.0 -6.7 17 17 A H H X S+ 0 0 22 -4,-2.5 4,-1.9 1,-0.2 5,-0.4 0.925 109.3 50.0 -57.3 -47.0 29.1 -26.1 -3.4 18 18 A R H < S+ 0 0 151 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.886 119.8 35.9 -58.1 -42.1 28.0 -29.3 -1.6 19 19 A A H < S+ 0 0 61 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.774 133.8 17.6 -83.9 -29.3 31.1 -31.3 -2.8 20 20 A N H >< S+ 0 0 59 -4,-2.7 3,-2.0 -5,-0.2 4,-0.3 0.649 92.3 88.9-123.7 -22.0 33.8 -28.6 -2.8 21 21 A S G >< S+ 0 0 18 -4,-1.9 3,-1.8 -5,-0.5 -3,-0.1 0.820 84.8 61.5 -59.8 -34.8 32.9 -25.5 -0.7 22 22 A A G 3 S+ 0 0 85 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.679 99.1 59.6 -63.5 -17.9 34.4 -26.9 2.6 23 23 A N G < S+ 0 0 119 -3,-2.0 2,-0.7 2,-0.0 -1,-0.3 0.456 79.3 103.3 -89.8 -3.8 37.7 -27.0 0.8 24 24 A L < + 0 0 14 -3,-1.8 2,-0.4 -4,-0.3 35,-0.1 -0.741 45.4 170.9 -83.1 114.2 37.8 -23.3 0.2 25 25 A K > - 0 0 97 -2,-0.7 4,-2.6 1,-0.1 3,-0.3 -0.956 24.0-155.3-131.2 110.9 40.2 -21.7 2.7 26 26 A L H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.869 92.3 52.8 -56.2 -47.8 41.0 -18.0 2.2 27 27 A R H > S+ 0 0 62 410,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.913 115.4 42.7 -54.5 -44.7 44.4 -18.0 4.0 28 28 A E H > S+ 0 0 124 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.855 109.0 57.6 -72.7 -36.6 45.5 -20.9 1.8 29 29 A L H X S+ 0 0 40 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.915 110.3 44.8 -58.5 -44.2 44.1 -19.5 -1.4 30 30 A F H < S+ 0 0 15 -4,-2.4 3,-0.4 1,-0.2 6,-0.2 0.891 112.7 50.5 -68.7 -40.1 46.2 -16.4 -1.0 31 31 A E H < S+ 0 0 162 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.880 111.6 48.4 -63.9 -38.9 49.3 -18.3 -0.1 32 32 A A H < S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.680 117.3 39.7 -75.4 -19.4 49.0 -20.6 -3.1 33 33 A D >< - 0 0 53 -4,-0.9 3,-1.8 -3,-0.4 -1,-0.2 -0.822 53.1-174.2-143.5 95.5 48.4 -17.8 -5.6 34 34 A P T 3 S+ 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.671 89.8 60.4 -61.1 -17.6 50.3 -14.4 -5.6 35 35 A E T 3> S+ 0 0 96 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.319 71.7 107.0 -92.3 6.8 48.0 -13.2 -8.4 36 36 A R H <> S+ 0 0 6 -3,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.903 79.1 46.5 -55.7 -50.1 44.8 -13.6 -6.5 37 37 A F H >4 S+ 0 0 25 -3,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.939 113.9 49.7 -56.0 -48.4 44.2 -9.9 -5.9 38 38 A N H >4 S+ 0 0 93 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.837 113.9 45.2 -58.7 -36.6 44.9 -9.2 -9.6 39 39 A N H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.658 117.5 42.6 -84.6 -18.2 42.5 -11.9 -10.8 40 40 A F T << S+ 0 0 16 -4,-1.5 15,-1.6 -3,-0.5 16,-0.3 -0.277 101.3 74.6-127.1 46.1 39.6 -11.1 -8.4 41 41 A S E < -A 54 0A 21 -3,-0.5 2,-0.5 13,-0.2 13,-0.2 -0.990 57.7-146.0-151.9 155.6 39.4 -7.3 -8.5 42 42 A L E -A 53 0A 14 11,-2.3 11,-3.0 -2,-0.3 2,-0.8 -0.986 4.7-163.3-126.0 120.5 38.2 -4.5 -10.8 43 43 A N E -A 52 0A 82 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.863 18.1-162.3-102.4 98.0 40.0 -1.1 -10.9 44 44 A L E -A 51 0A 18 7,-3.0 7,-2.4 -2,-0.8 2,-0.7 -0.723 9.3-158.6 -90.4 121.7 37.5 1.2 -12.6 45 45 A N E +A 50 0A 79 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.876 14.7 174.2 -97.5 108.5 38.7 4.5 -14.1 46 46 A T - 0 0 2 3,-2.2 4,-0.1 -2,-0.7 -1,-0.1 0.465 49.0-119.0 -87.5 -4.2 35.8 6.8 -14.4 47 47 A N S S+ 0 0 128 2,-0.3 3,-0.1 1,-0.0 -2,-0.1 0.377 111.3 66.5 69.6 0.1 38.0 9.7 -15.5 48 48 A H S S- 0 0 107 1,-0.7 438,-0.2 1067,-0.1 2,-0.2 -0.147 124.2 -41.6-132.9 35.8 36.8 11.5 -12.3 49 49 A G - 0 0 5 431,-0.1 -3,-2.2 1065,-0.1 -1,-0.7 -0.429 68.6 -89.0 120.1 161.5 38.4 9.1 -9.9 50 50 A H E -A 45 0A 37 -5,-0.2 430,-1.8 -2,-0.2 2,-0.5 -0.822 22.0-158.2-107.3 146.8 38.9 5.4 -9.5 51 51 A I E -AB 44 479A 0 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.7 -0.979 9.1-161.5-121.4 115.5 36.7 2.8 -7.9 52 52 A L E -AB 43 478A 2 426,-3.6 426,-2.3 -2,-0.5 2,-0.8 -0.877 3.3-168.4 -97.5 116.7 38.5 -0.4 -6.9 53 53 A V E -AB 42 477A 2 -11,-3.0 -11,-2.3 -2,-0.7 2,-0.8 -0.894 9.0-172.1-103.5 98.9 36.1 -3.3 -6.3 54 54 A D E +AB 41 476A 2 422,-3.0 422,-2.4 -2,-0.8 3,-0.2 -0.842 18.8 162.0 -98.5 105.9 38.3 -5.9 -4.6 55 55 A Y > + 0 0 15 -15,-1.6 3,-0.9 -2,-0.8 -14,-0.2 0.117 42.1 108.8-107.8 20.7 36.4 -9.2 -4.3 56 56 A S T 3 + 0 0 0 -16,-0.3 4,-0.2 1,-0.3 -1,-0.1 0.740 65.5 67.2 -73.5 -23.6 39.4 -11.4 -3.7 57 57 A K T 3 S+ 0 0 2 417,-0.4 417,-1.5 -3,-0.2 2,-0.3 0.017 82.9 109.2 -86.4 29.6 38.6 -12.1 -0.0 58 58 A N S < S- 0 0 1 -3,-0.9 2,-2.4 415,-0.2 414,-0.1 -0.734 85.5-106.5-102.1 156.0 35.6 -14.1 -1.1 59 59 A L S S+ 0 0 6 -2,-0.3 2,-0.3 264,-0.1 -35,-0.1 -0.452 82.0 112.1 -80.1 68.7 35.1 -17.8 -0.9 60 60 A V - 0 0 0 -2,-2.4 2,-0.3 -4,-0.2 -2,-0.1 -0.967 46.9-163.5-141.3 153.4 35.5 -18.3 -4.7 61 61 A S > - 0 0 17 -2,-0.3 4,-2.4 -37,-0.0 5,-0.2 -0.753 47.4 -93.1-122.2 175.4 37.8 -19.7 -7.3 62 62 A K H > S+ 0 0 134 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.890 127.9 53.6 -54.2 -40.7 38.0 -19.1 -11.0 63 63 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 107.8 48.5 -63.3 -44.6 35.7 -22.1 -11.5 64 64 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 112.4 48.6 -61.0 -47.3 33.1 -20.7 -9.1 65 65 A M H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 110.6 51.6 -61.4 -40.2 33.2 -17.3 -10.8 66 66 A Q H X S+ 0 0 98 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.917 110.9 47.5 -60.6 -45.4 32.9 -19.0 -14.3 67 67 A M H X S+ 0 0 16 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.880 111.7 50.8 -64.4 -39.6 29.8 -21.0 -13.1 68 68 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.9 47.5 -64.8 -45.2 28.2 -17.9 -11.6 69 69 A V H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.903 111.1 51.8 -62.5 -42.1 28.7 -15.9 -14.8 70 70 A E H X S+ 0 0 106 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 108.2 52.4 -60.8 -38.8 27.3 -18.8 -16.9 71 71 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.908 106.7 52.3 -63.4 -43.7 24.3 -18.8 -14.5 72 72 A A H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.915 111.5 46.9 -57.3 -44.3 23.7 -15.0 -15.1 73 73 A K H ><5S+ 0 0 82 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.921 111.2 51.2 -62.9 -44.7 23.8 -15.7 -18.9 74 74 A S H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 107.5 54.0 -64.6 -26.9 21.4 -18.6 -18.5 75 75 A R T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.394 114.9-117.0 -89.5 1.7 19.0 -16.4 -16.5 76 76 A G T <>5 + 0 0 30 -3,-1.5 4,-2.2 -4,-0.2 -3,-0.2 0.826 57.2 155.8 70.0 36.5 18.9 -13.8 -19.3 77 77 A V H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 112.3 45.6 -62.3 -46.0 21.7 -9.1 -20.4 79 79 A A H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 113.3 50.4 -63.6 -41.6 18.4 -9.2 -22.2 80 80 A A H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.904 110.6 49.8 -63.3 -42.4 16.5 -8.1 -19.0 81 81 A R H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.933 109.8 50.4 -59.4 -49.0 19.0 -5.2 -18.5 82 82 A D H X S+ 0 0 73 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.879 108.8 53.4 -58.7 -39.2 18.5 -4.1 -22.2 83 83 A N H <>S+ 0 0 73 -4,-2.1 5,-2.0 2,-0.2 4,-0.5 0.866 108.1 49.4 -64.0 -40.2 14.7 -4.2 -21.7 84 84 A M H ><5S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 14,-0.3 0.959 112.7 47.2 -59.8 -50.7 14.9 -1.9 -18.6 85 85 A F H 3<5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.724 109.4 54.5 -66.4 -24.3 17.1 0.6 -20.4 86 86 A S T 3<5S- 0 0 70 -4,-1.5 26,-0.4 -5,-0.2 -1,-0.3 0.491 117.8-106.0 -90.8 -5.1 14.8 0.6 -23.5 87 87 A G T < 5 + 0 0 8 -3,-1.3 27,-0.2 -4,-0.5 -3,-0.2 0.609 61.0 160.1 90.1 12.9 11.7 1.5 -21.6 88 88 A S < - 0 0 52 -5,-2.0 2,-2.2 -6,-0.2 10,-0.5 -0.346 54.3-107.4 -60.6 147.7 10.0 -2.0 -21.7 89 89 A K + 0 0 69 1,-0.2 8,-0.3 8,-0.2 6,-0.2 -0.418 57.5 155.9 -83.8 68.7 7.4 -2.4 -19.0 90 90 A I + 0 0 32 -2,-2.2 2,-1.7 -7,-0.2 -1,-0.2 0.614 53.3 85.3 -75.2 -15.2 9.4 -4.8 -16.9 91 91 A N B >>> +F 96 0B 6 5,-2.1 5,-2.0 -3,-0.2 4,-0.9 -0.694 66.2 176.2 -79.1 84.2 7.5 -3.9 -13.7 92 92 A Y T 345 + 0 0 67 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.680 64.5 55.8 -77.6 -22.1 5.0 -6.5 -14.8 93 93 A T T 345S+ 0 0 12 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.752 121.5 30.4 -79.8 -24.1 2.5 -6.5 -11.9 94 94 A E T <45S- 0 0 42 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.447 104.7-126.6-107.9 -3.9 1.9 -2.7 -12.3 95 95 A D T <5 + 0 0 103 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.956 62.9 136.8 50.5 58.0 2.5 -2.6 -16.1 96 96 A R B < -F 91 0B 69 -5,-2.0 -5,-2.1 -7,-0.2 -1,-0.2 -0.947 56.4-117.3-129.8 150.5 5.1 0.1 -15.8 97 97 A A - 0 0 3 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -0.291 22.6-136.0 -69.7 167.7 8.5 0.9 -17.2 98 98 A V + 0 0 5 -10,-0.5 -11,-0.2 -14,-0.3 3,-0.2 -0.884 39.5 154.4-132.6 97.4 11.5 1.1 -14.9 99 99 A L >> + 0 0 0 170,-2.4 3,-1.0 -2,-0.4 4,-1.0 -0.130 22.2 127.5-133.3 39.7 13.4 4.2 -15.8 100 100 A H H 3> S+ 0 0 2 1,-0.2 4,-0.7 169,-0.2 3,-0.4 0.840 80.6 65.0 -58.6 -28.3 15.5 5.7 -13.1 101 101 A V H 34 S+ 0 0 4 1,-0.2 3,-0.4 -3,-0.2 -1,-0.2 0.814 95.0 57.2 -64.1 -28.5 18.3 5.4 -15.7 102 102 A A H X4 S+ 0 0 0 -3,-1.0 3,-1.6 1,-0.2 -1,-0.2 0.853 95.3 64.9 -67.9 -34.1 16.4 7.9 -17.8 103 103 A L H 3< S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.806 113.8 31.6 -58.0 -32.7 16.5 10.5 -14.9 104 104 A R T 3< S+ 0 0 0 -4,-0.7 2,-2.0 -3,-0.4 -1,-0.3 0.059 80.1 135.0-114.2 21.1 20.3 10.6 -15.2 105 105 A N X + 0 0 12 -3,-1.6 3,-1.4 1,-0.2 193,-0.1 -0.505 24.5 173.5 -75.0 81.4 20.6 10.0 -18.9 106 106 A R T 3 S+ 0 0 76 -2,-2.0 -1,-0.2 1,-0.3 192,-0.1 0.727 72.0 64.1 -64.5 -24.8 23.2 12.7 -19.6 107 107 A S T 3 S- 0 0 64 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.719 93.8-144.2 -69.6 -24.2 23.6 11.6 -23.2 108 108 A N < + 0 0 78 -3,-1.4 -2,-0.1 1,-0.2 3,-0.1 0.592 38.5 161.0 62.5 15.0 20.0 12.5 -23.9 109 109 A T - 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s 0 969H 39 -71,-0.2 2,-1.7 -431,-0.2 -1,-0.2 -0.968 63.3-105.9-162.7 149.1 5.3 7.1 28.8 1040 482 B L + 0 0 5 -71,-0.6 -69,-0.0 -2,-0.3 -2,-0.0 -0.597 59.4 154.9 -86.3 79.7 9.0 7.2 27.9 1041 483 B T > - 0 0 11 -2,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.490 61.6 -99.1 -91.2 167.6 10.2 8.8 31.1 1042 484 B P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.925 125.5 49.7 -52.5 -45.9 13.8 8.5 32.6 1043 485 B F H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.938 112.5 45.0 -58.3 -51.4 12.5 5.8 35.0 1044 486 B I H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 111.9 52.0 -65.3 -40.4 10.7 3.8 32.3 1045 487 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.915 108.3 52.7 -59.8 -43.1 13.6 4.0 29.9 1046 488 B G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.913 109.7 48.3 -57.1 -44.7 15.9 2.7 32.7 1047 489 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.898 111.4 50.4 -62.1 -41.9 13.6 -0.3 33.2 1048 490 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.910 111.0 47.0 -65.5 -44.8 13.4 -1.1 29.5 1049 491 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.949 113.3 49.1 -62.4 -47.7 17.2 -1.0 29.0 1050 492 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.857 105.9 58.5 -58.5 -37.5 17.7 -3.2 32.1 1051 493 B M H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.924 109.7 42.4 -59.0 -47.0 15.1 -5.6 30.8 1052 494 B Y H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.871 109.3 58.8 -69.8 -35.6 17.0 -6.2 27.7 1053 495 B E H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.940 110.3 43.4 -54.0 -47.3 20.3 -6.4 29.6 1054 496 B H H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.837 108.4 57.6 -74.1 -30.1 18.9 -9.3 31.6 1055 497 B K H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.949 108.9 47.1 -56.0 -49.7 17.4 -11.0 28.5 1056 498 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 110.8 52.2 -60.3 -43.1 20.9 -11.0 27.1 1057 499 B F H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.931 109.1 49.2 -58.3 -49.8 22.3 -12.4 30.4 1058 500 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 111.2 49.1 -59.0 -46.0 19.7 -15.3 30.4 1059 501 B Q H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 109.6 52.5 -60.7 -43.7 20.5 -16.3 26.8 1060 502 B G H X>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 4,-0.7 0.903 109.2 49.0 -57.5 -45.1 24.2 -16.3 27.5 1061 503 B I H ><5S+ 0 0 34 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.927 110.7 50.5 -61.1 -44.6 23.8 -18.6 30.5 1062 504 B M H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.9 47.1 -64.4 -35.0 21.6 -21.0 28.5 1063 505 B W H 3<5S- 0 0 0 -4,-2.1 -501,-0.3 -5,-0.2 -1,-0.3 0.563 109.7-126.2 -79.4 -10.2 24.2 -21.1 25.7 1064 506 B D T <<5 + 0 0 23 -3,-0.9 -140,-1.8 -4,-0.7 -3,-0.2 0.757 66.6 129.1 67.0 28.2 27.0 -21.7 28.3 1065 507 B I < - 0 0 5 -5,-2.1 2,-0.8 -142,-0.2 -1,-0.2 -0.588 67.7-103.3-105.4 170.8 29.0 -18.7 27.0 1066 508 B N > - 0 0 4 -144,-0.5 3,-0.7 -2,-0.2 -144,-0.1 -0.859 28.2-174.7 -96.1 107.0 30.5 -15.6 28.6 1067 509 B S T 3 S+ 0 0 2 -2,-0.8 -1,-0.1 1,-0.2 -148,-0.1 0.547 77.8 58.6 -72.8 -6.2 28.3 -12.6 27.9 1068 510 B F T 3 S+ 0 0 15 -420,-0.2 -1,-0.2 -150,-0.1 2,-0.2 0.431 89.9 67.7-118.4 -0.8 30.8 -10.3 29.6 1069 511 B D < - 0 0 3 -3,-0.7 -419,-0.0 -152,-0.2 3,-0.0 -0.498 54.2-159.3-105.0-179.1 34.2 -10.6 27.8 1070 512 B Q > + 0 0 50 -2,-0.2 3,-1.4 -677,-0.0 4,-0.2 -0.209 28.7 151.5-160.1 57.0 35.1 -9.6 24.2 1071 513 B W G > + 0 0 45 1,-0.3 3,-1.3 2,-0.1 4,-0.4 0.700 64.4 78.2 -67.0 -17.8 38.2 -11.4 23.0 1072 514 B G G 3 S+ 0 0 0 1,-0.3 4,-0.3 -156,-0.1 -1,-0.3 0.475 82.8 62.8 -73.5 -4.6 37.0 -11.1 19.4 1073 515 B V G <> S+ 0 0 34 -3,-1.4 4,-1.3 1,-0.1 -1,-0.3 0.611 84.7 80.3 -90.7 -12.9 38.1 -7.5 19.1 1074 516 B E H <> S+ 0 0 53 -3,-1.3 4,-2.3 -4,-0.2 5,-0.2 0.884 84.1 53.6 -66.0 -46.2 41.8 -8.3 19.6 1075 517 B L H > S+ 0 0 7 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.909 108.0 49.6 -61.0 -45.5 42.9 -9.5 16.2 1076 518 B G H > S+ 0 0 0 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.883 111.7 50.3 -59.0 -40.2 41.6 -6.5 14.3 1077 519 B K H X S+ 0 0 114 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.910 110.2 49.7 -63.6 -45.1 43.4 -4.2 16.8 1078 520 B Q H X S+ 0 0 50 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.922 113.1 45.7 -59.2 -47.8 46.7 -6.2 16.4 1079 521 B L H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.825 109.4 54.6 -71.1 -31.3 46.6 -6.0 12.6 1080 522 B A H X S+ 0 0 4 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.882 104.1 55.1 -68.2 -38.8 45.7 -2.3 12.5 1081 523 B K H < S+ 0 0 134 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.9 48.9 -63.0 -33.3 48.7 -1.4 14.6 1082 524 B K H < S+ 0 0 123 -4,-1.2 4,-0.4 1,-0.1 -1,-0.2 0.857 113.7 45.3 -72.7 -36.7 50.9 -3.2 12.1 1083 525 B I H >X S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 4,-0.9 0.855 94.6 77.6 -77.5 -35.9 49.4 -1.5 9.1 1084 526 B E G >< S+ 0 0 22 -4,-2.4 3,-1.0 1,-0.3 4,-0.5 0.859 97.9 40.7 -43.6 -56.4 49.4 2.1 10.5 1085 527 B P G 34 S+ 0 0 84 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.727 107.0 65.5 -70.2 -19.9 53.1 2.9 10.0 1086 528 B E G <4 S+ 0 0 50 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.699 89.9 65.2 -73.4 -21.4 53.2 1.2 6.5 1087 529 B L S << S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.9 -3,-0.1 0.800 82.9 93.3 -73.5 -28.8 50.8 3.7 5.0 1088 530 B E S S+ 0 0 122 -3,-0.5 3,-0.2 -4,-0.5 20,-0.0 -0.354 82.3 7.2 -64.7 140.2 53.4 6.6 5.4 1089 531 B G S S- 0 0 45 1,-0.2 19,-0.0 -2,-0.1 0, 0.0 0.078 90.9 -76.8 76.5 175.2 55.7 7.4 2.5 1090 532 B S S S+ 0 0 120 2,-0.1 -1,-0.2 19,-0.0 -2,-0.0 0.498 81.7 121.4 -93.1 -6.7 55.8 6.1 -1.1 1091 533 B S - 0 0 81 -3,-0.2 2,-0.1 1,-0.1 17,-0.0 -0.297 68.3-107.0 -66.6 140.9 57.4 2.7 -0.6 1092 534 B A - 0 0 89 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.391 26.4-137.6 -66.0 138.9 55.6 -0.4 -1.7 1093 535 B V + 0 0 19 8,-0.2 12,-0.2 1,-0.1 11,-0.1 -0.903 36.4 155.3-103.0 122.5 54.0 -2.6 0.9 1094 536 B T + 0 0 117 -2,-0.6 -1,-0.1 1,-0.1 7,-0.1 0.270 43.0 102.4-125.7 7.3 54.4 -6.3 0.4 1095 537 B S S S+ 0 0 74 5,-0.1 2,-0.2 6,-0.1 3,-0.1 0.497 77.8 48.8 -78.9 -6.6 54.2 -7.7 4.0 1096 538 B H S S- 0 0 32 1,-0.2 2,-0.0 -3,-0.1 -662,-0.0 -0.459 101.0 -60.4-117.9-172.3 50.6 -9.0 3.7 1097 539 B D > - 0 0 25 -2,-0.2 4,-2.5 1,-0.1 -1,-0.2 -0.276 61.3 -99.2 -62.1 162.3 48.4 -11.1 1.5 1098 540 B S H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.760 121.1 54.0 -63.8 -27.4 47.9 -9.8 -2.1 1099 541 B S H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.973 111.2 43.2 -69.4 -55.0 44.5 -8.2 -1.3 1100 542 B T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.916 117.6 47.9 -53.7 -45.8 45.8 -6.1 1.6 1101 543 B N H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 -8,-0.2 0.910 112.3 49.2 -61.3 -43.4 48.9 -5.2 -0.4 1102 544 B G H X S+ 0 0 12 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.860 110.2 50.0 -66.2 -38.4 46.8 -4.3 -3.4 1103 545 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.914 111.6 48.6 -65.9 -42.7 44.5 -2.1 -1.4 1104 546 B I H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.907 109.3 53.2 -63.2 -41.8 47.5 -0.3 0.1 1105 547 B S H X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.914 109.3 49.1 -58.0 -44.0 49.0 0.2 -3.3 1106 548 B F H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 110.1 51.4 -61.5 -44.5 45.7 1.7 -4.5 1107 549 B I H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.931 111.8 46.3 -58.0 -47.8 45.7 4.0 -1.5 1108 550 B K H < S+ 0 0 25 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.868 115.7 46.1 -66.6 -35.9 49.2 5.2 -2.1 1109 551 B Q H < S+ 0 0 122 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.854 118.4 40.3 -72.5 -35.5 48.5 5.7 -5.9 1110 552 B Q H >< S+ 0 0 5 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.621 92.2 81.6 -93.5 -14.4 45.2 7.6 -5.4 1111 553 B R T 3< S+ 0 0 75 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.677 96.1 43.4 -72.3 -16.9 45.9 9.9 -2.4 1112 554 B D T 3 S+ 0 0 133 -3,-0.3 -1,-0.2 -4,-0.3 2,-0.2 0.510 84.0 118.2-102.9 -8.2 47.7 12.6 -4.4 1113 555 B T < - 0 0 58 -3,-0.8 2,-0.7 -4,-0.2 -3,-0.0 -0.398 60.3-136.5 -65.0 129.4 45.3 12.7 -7.4 1114 556 B K 0 0 207 -2,-0.2 -1,-0.1 -1065,-0.0 -1065,-0.1 -0.806 360.0 360.0 -92.5 115.5 43.6 16.1 -7.8 1115 557 B L 0 0 101 -2,-0.7 -1067,-0.1 -1067,-0.1 -1066,-0.0 -0.830 360.0 360.0-100.0 360.0 39.9 15.8 -8.6