==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-04 2BET . COMPND 2 MOLECULE: CARBOHYDRATE-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.K.ROOS,D.J.ERICSSON,S.L.MOWBRAY . 787 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 13.3 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 . 37 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 4 5 0 0 3 11 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 5 10 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 5 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 3 A G 0 0 102 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 138.7 21.6 -1.9 -14.6 2 4 A M - 0 0 66 25,-0.1 27,-2.1 2,-0.0 2,-0.4 -0.999 360.0-119.3-150.0 139.8 22.9 -0.4 -11.3 3 5 A R E -a 29 0A 103 -2,-0.3 59,-1.9 25,-0.2 2,-0.4 -0.676 33.1-168.3 -75.8 130.5 26.1 -0.2 -9.3 4 6 A V E -ab 30 62A 0 25,-1.5 27,-2.3 -2,-0.4 2,-0.5 -0.974 10.4-148.9-128.3 116.7 25.4 -1.8 -5.8 5 7 A Y E -ab 31 63A 21 57,-2.1 59,-2.3 -2,-0.4 2,-0.4 -0.741 16.3-162.9 -89.3 124.7 27.9 -1.4 -3.0 6 8 A L E +ab 32 64A 0 25,-2.2 27,-2.5 -2,-0.5 28,-0.5 -0.905 11.6 176.9-114.9 132.2 28.0 -4.3 -0.5 7 9 A G E + b 0 65A 0 57,-1.9 59,-2.5 -2,-0.4 2,-0.3 -0.967 10.1 155.1-128.0 149.3 29.4 -4.4 3.0 8 10 A A E - b 0 66A 0 26,-1.8 59,-0.2 -2,-0.3 2,-0.1 -0.940 29.5-139.1-168.5 145.3 29.4 -7.2 5.5 9 11 A D >> - 0 0 6 57,-1.0 3,-0.9 -2,-0.3 4,-0.6 -0.265 57.6 -74.2 -88.3-173.2 31.2 -8.7 8.6 10 12 A H H >> S+ 0 0 24 29,-0.5 3,-0.6 32,-0.2 4,-0.5 0.808 130.7 58.8 -50.2 -38.1 31.9 -12.4 9.1 11 13 A A H 34 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.1 56,-0.2 0.793 118.2 29.7 -68.6 -30.8 28.2 -13.0 10.0 12 14 A G H <> S+ 0 0 0 -3,-0.9 4,-1.7 54,-0.4 -1,-0.2 0.272 94.7 99.5-107.8 9.8 27.0 -11.7 6.7 13 15 A Y H S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.814 107.1 57.7 -74.5 -32.0 25.4 -14.4 2.1 16 18 A K H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.872 104.5 50.4 -65.4 -39.4 27.2 -11.4 0.6 17 19 A Q H X S+ 0 0 59 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.841 110.7 50.4 -67.4 -34.1 29.1 -13.6 -1.8 18 20 A R H X S+ 0 0 150 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.820 110.3 49.2 -71.1 -33.2 25.9 -15.2 -2.8 19 21 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.820 107.4 54.9 -76.0 -32.8 24.2 -11.8 -3.4 20 22 A I H X S+ 0 0 16 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.901 110.2 46.4 -64.9 -41.8 27.2 -10.6 -5.5 21 23 A E H X S+ 0 0 93 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.877 112.1 50.7 -67.9 -39.1 26.8 -13.6 -7.8 22 24 A H H X S+ 0 0 34 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.832 109.2 51.0 -67.3 -34.0 23.0 -13.1 -8.0 23 25 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 3,-0.2 0.820 107.0 53.5 -75.4 -32.4 23.4 -9.4 -9.0 24 26 A K H ><5S+ 0 0 122 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.884 109.4 49.2 -64.8 -39.4 25.9 -10.3 -11.8 25 27 A Q H 3<5S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.617 108.5 53.4 -78.8 -14.1 23.4 -12.8 -13.2 26 28 A T T 3<5S- 0 0 62 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.191 123.7 -97.0-106.0 14.4 20.6 -10.2 -13.1 27 29 A G T < 5S+ 0 0 58 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.529 83.2 122.4 90.4 8.1 22.5 -7.5 -15.1 28 30 A H < - 0 0 32 -5,-2.5 -1,-0.3 -27,-0.2 -25,-0.2 -0.483 59.8-125.9 -97.2 170.2 23.8 -5.4 -12.1 29 31 A E E -a 3 0A 107 -27,-2.1 -25,-1.5 -2,-0.2 2,-0.2 -0.821 24.9-162.3-120.0 89.5 27.4 -4.4 -11.2 30 32 A P E -a 4 0A 23 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.508 0.5-160.4 -73.9 138.0 28.2 -5.3 -7.5 31 33 A I E -a 5 0A 33 -27,-2.3 -25,-2.2 -2,-0.2 2,-0.7 -0.983 13.3-138.2-121.5 119.7 31.2 -3.7 -5.9 32 34 A D E +a 6 0A 48 -2,-0.5 -25,-0.1 -27,-0.2 3,-0.1 -0.674 22.4 177.0 -85.3 112.9 32.6 -5.4 -2.8 33 35 A C - 0 0 11 -27,-2.5 -26,-0.2 -2,-0.7 -1,-0.2 0.474 57.1 -54.9 -86.7 -6.4 33.6 -2.9 -0.0 34 36 A G S S+ 0 0 2 -28,-0.5 -26,-1.8 1,-0.3 -1,-0.3 -0.237 89.8 99.5 113.9 157.2 34.6 -5.8 2.3 35 37 A A + 0 0 7 -28,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.414 46.7 179.9 -79.8 143.6 35.1 -8.1 4.0 36 38 A L S S+ 0 0 109 -3,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.777 70.5 23.1 -81.4 -30.4 36.9 -9.8 1.1 37 39 A R S S- 0 0 150 2,-0.0 2,-0.6 0, 0.0 -2,-0.2 -0.843 96.5 -87.7-126.9 169.3 37.6 -12.9 3.2 38 40 A Y + 0 0 130 -2,-0.3 2,-0.4 -25,-0.0 -29,-0.0 -0.701 45.0 169.1 -79.7 116.7 36.1 -14.6 6.2 39 41 A D > - 0 0 54 -2,-0.6 3,-1.6 1,-0.1 -29,-0.5 -0.949 22.4-156.7-128.3 110.5 37.5 -13.2 9.4 40 42 A A T 3 S+ 0 0 43 -2,-0.4 -1,-0.1 1,-0.3 -29,-0.1 0.667 90.6 44.6 -63.3 -20.6 35.5 -14.4 12.5 41 43 A D T 3 S+ 0 0 94 2,-0.1 -1,-0.3 -31,-0.1 2,-0.0 0.276 84.3 122.3-109.0 8.4 36.6 -11.5 14.7 42 44 A D < - 0 0 10 -3,-1.6 2,-0.4 1,-0.1 -32,-0.2 -0.299 59.5-119.1 -76.4 160.4 36.3 -8.6 12.3 43 45 A D - 0 0 23 1,-0.1 4,-0.5 -34,-0.1 3,-0.4 -0.840 7.3-146.8-109.8 134.2 34.1 -5.6 13.0 44 46 A Y S >> S+ 0 0 15 -2,-0.4 4,-1.8 1,-0.2 3,-0.8 0.807 80.6 78.0 -68.4 -36.0 31.1 -4.5 10.9 45 47 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.824 92.6 49.7 -49.5 -46.6 31.1 -0.6 11.3 46 48 A A H 3> S+ 0 0 11 -3,-0.4 4,-1.5 1,-0.2 -2,-0.1 0.836 112.0 48.1 -64.7 -36.7 34.0 0.1 8.8 47 49 A F H <> S+ 0 0 6 -3,-0.8 4,-1.7 -4,-0.5 -1,-0.2 0.845 115.0 45.1 -70.4 -36.5 32.4 -2.0 6.1 48 50 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.810 112.3 50.9 -77.1 -33.6 29.0 -0.4 6.5 49 51 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.839 111.8 49.0 -70.7 -34.8 30.4 3.1 6.7 50 52 A A H X S+ 0 0 19 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.892 113.3 45.5 -70.9 -41.8 32.4 2.4 3.5 51 53 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.876 115.9 45.7 -69.9 -38.9 29.3 1.1 1.6 52 54 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.848 112.7 50.5 -73.6 -36.9 27.0 3.9 2.8 53 55 A T H X S+ 0 0 56 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.922 113.4 44.8 -65.0 -45.8 29.6 6.6 2.0 54 56 A R H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.782 112.2 52.8 -71.9 -28.6 30.2 5.3 -1.5 55 57 A T H >< S+ 0 0 3 -4,-1.4 3,-1.0 2,-0.2 6,-0.3 0.909 110.3 46.1 -71.7 -44.7 26.5 4.9 -2.2 56 58 A V H 3< S+ 0 0 52 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.853 112.6 50.9 -67.0 -35.7 25.5 8.4 -1.2 57 59 A A T 3< S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.410 102.6 69.9 -82.4 1.4 28.4 9.9 -3.2 58 60 A D S X S- 0 0 25 -3,-1.0 3,-1.7 -4,-0.1 -1,-0.2 -0.885 82.3-138.0-126.8 96.7 27.4 7.9 -6.3 59 61 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.283 86.1 15.7 -57.9 133.6 24.1 9.1 -8.0 60 62 A G T 3 S+ 0 0 57 1,-0.3 2,-0.1 -58,-0.1 -5,-0.0 0.220 100.3 118.1 88.5 -13.1 21.7 6.3 -9.1 61 63 A S < - 0 0 9 -3,-1.7 -1,-0.3 -6,-0.3 2,-0.2 -0.420 45.8-158.5 -84.4 159.1 23.5 3.6 -7.0 62 64 A L E -b 4 0A 7 -59,-1.9 -57,-2.1 -2,-0.1 2,-0.3 -0.696 6.1-148.4-122.3-178.6 22.1 1.5 -4.2 63 65 A G E -bc 5 105A 0 41,-1.7 43,-1.3 -59,-0.3 2,-0.4 -0.995 7.7-160.6-155.0 149.7 23.8 -0.4 -1.3 64 66 A I E -bc 6 106A 0 -59,-2.3 -57,-1.9 -2,-0.3 2,-0.4 -0.990 4.8-166.7-136.6 126.5 23.3 -3.5 0.9 65 67 A V E -bc 7 107A 0 41,-2.1 43,-1.8 -2,-0.4 2,-0.4 -0.954 12.5-159.3-113.7 132.1 24.9 -4.2 4.3 66 68 A L E +bc 8 108A 0 -59,-2.5 -57,-1.0 -2,-0.4 -54,-0.4 -0.884 24.0 137.4-115.7 140.5 24.8 -7.8 5.7 67 69 A G E - c 0 109A 0 41,-1.8 43,-2.7 -2,-0.4 44,-0.4 -0.725 65.7 -71.4-148.5-156.1 25.1 -9.1 9.3 68 70 A G S S- 0 0 9 41,-0.2 43,-1.5 -2,-0.2 44,-0.5 0.976 130.4 -2.0 -70.6 -60.3 23.6 -11.6 11.6 69 71 A S S S- 0 0 14 40,-0.2 40,-0.5 41,-0.1 -1,-0.1 0.599 94.0-129.5 -99.0 -21.9 20.4 -9.6 12.2 70 72 A G S > S+ 0 0 0 38,-0.3 4,-2.0 17,-0.1 5,-0.2 0.320 80.7 107.5 88.4 -6.1 21.4 -6.7 10.0 71 73 A N H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 74.7 48.1 -78.7 -42.5 20.6 -4.2 12.7 72 74 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.846 113.9 52.6 -59.8 -31.8 24.1 -3.1 13.8 73 75 A E H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 108.5 45.0 -75.3 -47.5 24.8 -2.7 10.1 74 76 A Q H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 11,-0.2 0.840 110.9 56.6 -64.9 -34.2 21.9 -0.4 9.2 75 77 A I H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.913 108.8 46.0 -61.9 -43.8 22.6 1.7 12.4 76 78 A A H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 4,-0.4 0.886 112.2 50.6 -66.6 -40.2 26.2 2.2 11.2 77 79 A A H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.812 104.5 59.0 -66.8 -31.5 25.1 3.1 7.7 78 80 A N H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.639 93.8 64.9 -75.7 -16.6 22.5 5.6 9.1 79 81 A K T << S+ 0 0 10 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.665 81.7 96.9 -76.2 -18.3 25.3 7.6 10.8 80 82 A V S X S- 0 0 5 -3,-0.9 3,-1.5 -4,-0.4 2,-0.1 -0.590 90.6-105.9 -71.7 127.6 26.7 8.5 7.4 81 83 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.338 102.0 10.8 -55.2 129.2 25.5 12.0 6.2 82 84 A G T 3 S+ 0 0 24 1,-0.3 2,-0.1 -4,-0.1 -4,-0.1 0.073 99.1 123.8 90.4 -22.6 22.8 11.7 3.5 83 85 A A < - 0 0 0 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.3 -0.410 39.4-171.0 -77.0 147.2 22.4 7.9 3.9 84 86 A R - 0 0 37 -2,-0.1 21,-1.6 -3,-0.1 20,-0.6 -0.927 9.3-177.8-137.3 108.2 19.0 6.3 4.6 85 87 A C E -d 105 0A 0 -2,-0.4 21,-0.2 -11,-0.2 2,-0.2 -0.925 4.8-167.3-118.8 108.4 19.2 2.6 5.5 86 88 A A E -d 106 0A 0 19,-1.6 21,-2.4 -2,-0.6 2,-0.7 -0.504 27.1-117.4 -82.4 157.0 16.1 0.5 6.2 87 89 A L E -d 107 0A 1 19,-0.2 2,-0.7 -2,-0.2 21,-0.2 -0.900 30.2-156.8 -94.1 109.8 16.1 -3.0 7.7 88 90 A A + 0 0 1 19,-2.0 21,-0.3 -2,-0.7 3,-0.1 -0.821 31.4 153.6 -92.0 114.7 14.7 -5.3 5.0 89 91 A W + 0 0 46 -2,-0.7 2,-0.3 19,-0.1 -1,-0.1 0.229 68.0 20.0-119.6 9.0 13.2 -8.5 6.4 90 92 A S S > S- 0 0 27 1,-0.1 4,-1.5 31,-0.1 5,-0.2 -0.974 82.4 -99.4-163.3 170.5 10.6 -9.1 3.6 91 93 A V H > S+ 0 0 80 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.846 121.4 53.3 -64.7 -35.1 9.7 -8.3 0.0 92 94 A Q H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 110.4 43.7 -68.3 -44.2 7.2 -5.8 1.4 93 95 A T H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.746 112.0 53.5 -77.1 -24.9 9.7 -3.8 3.5 94 96 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.883 114.1 42.5 -71.2 -40.3 12.4 -3.8 0.8 95 97 A A H X S+ 0 0 21 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.878 114.0 50.4 -73.0 -40.5 9.9 -2.4 -1.6 96 98 A L H X>S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 5,-1.1 0.815 102.1 62.9 -67.9 -31.6 8.4 0.1 0.9 97 99 A A H <5S+ 0 0 0 -4,-1.2 6,-2.1 3,-0.2 4,-0.4 0.913 112.9 35.6 -58.5 -43.1 12.0 1.3 1.7 98 100 A R H X5S+ 0 0 25 -4,-1.0 4,-0.9 4,-0.2 33,-0.3 0.946 120.8 46.1 -73.1 -51.5 12.4 2.5 -1.9 99 101 A E H <5S+ 0 0 76 -4,-2.6 32,-0.8 31,-0.2 34,-0.3 0.884 130.2 17.3 -62.4 -44.8 8.8 3.7 -2.5 100 102 A H T <5S+ 0 0 41 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.882 135.0 31.4 -98.0 -50.0 8.3 5.6 0.8 101 103 A N T 4> -c 67 0A 1 -40,-0.5 3,-1.1 -2,-0.4 4,-0.7 -0.787 9.8-164.2 -87.2 110.6 20.2 -10.5 8.5 110 112 A G T 34 S+ 0 0 24 -43,-2.7 3,-0.2 -2,-0.8 -42,-0.2 0.775 91.0 53.1 -61.7 -30.2 21.8 -13.6 7.0 111 113 A R T 34 S+ 0 0 157 -43,-1.5 -1,-0.2 -44,-0.4 -42,-0.1 0.547 103.8 59.1 -79.9 -9.4 20.8 -15.7 10.1 112 114 A M T <4 S+ 0 0 32 -3,-1.1 2,-0.3 -44,-0.5 -2,-0.2 0.668 107.2 35.1 -96.1 -22.1 17.2 -14.6 9.8 113 115 A H S < S- 0 0 31 -4,-0.7 2,-0.1 -3,-0.2 -5,-0.0 -0.826 77.1-110.5-126.8 166.2 16.3 -15.9 6.3 114 116 A T > - 0 0 83 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.328 45.0-102.0 -77.1 175.6 17.1 -18.8 3.9 115 117 A V H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.933 122.3 51.4 -67.3 -45.2 19.2 -17.9 0.8 116 118 A A H > S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.850 110.1 48.7 -61.3 -38.5 16.1 -17.9 -1.5 117 119 A E H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.887 110.8 50.7 -69.0 -40.0 14.2 -15.5 0.8 118 120 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.856 108.3 51.5 -67.0 -37.6 17.2 -13.1 1.1 119 121 A L H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.775 106.9 53.8 -72.3 -27.5 17.6 -13.0 -2.7 120 122 A A H X S+ 0 0 39 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.786 106.9 52.4 -73.4 -30.3 13.9 -12.2 -3.2 121 123 A I H X S+ 0 0 3 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.876 109.9 48.4 -68.1 -40.7 14.4 -9.3 -0.7 122 124 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.882 108.9 53.9 -66.0 -39.3 17.3 -8.0 -2.9 123 125 A D H X S+ 0 0 59 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.908 109.3 46.9 -63.9 -43.8 15.2 -8.3 -6.1 124 126 A A H X S+ 0 0 9 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.841 111.6 53.5 -64.1 -34.8 12.4 -6.2 -4.6 125 127 A F H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 112.4 40.3 -68.4 -45.8 15.0 -3.6 -3.4 126 128 A V H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.550 121.6 42.0 -84.3 -9.2 16.8 -3.1 -6.8 127 129 A T H < S+ 0 0 101 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.523 88.5 94.8-114.1 -11.6 13.6 -3.1 -8.9 128 130 A T S < S- 0 0 29 -4,-1.2 2,-0.1 -5,-0.1 3,-0.0 -0.743 71.2-134.8 -85.5 123.9 11.1 -1.0 -6.8 129 131 A P - 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0 0 77 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.359 44.7-102.5 -74.8 170.1 56.9 11.3 26.0 748 117 E V H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.883 122.4 49.4 -66.7 -37.9 56.8 9.8 22.5 749 118 E A H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.883 109.7 50.8 -68.0 -40.9 60.0 11.6 21.4 750 119 E E H > S+ 0 0 102 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.847 109.6 51.9 -63.4 -35.8 61.9 10.5 24.5 751 120 E A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.856 107.4 50.6 -70.7 -37.8 60.9 6.9 23.8 752 121 E L H X S+ 0 0 32 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.759 106.7 54.8 -74.4 -26.3 62.0 6.8 20.2 753 122 E A H X S+ 0 0 40 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.825 106.8 51.8 -71.2 -33.9 65.4 8.2 21.2 754 123 E I H X S+ 0 0 4 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.871 110.3 48.9 -66.4 -38.7 65.7 5.2 23.6 755 124 E V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.886 109.2 52.4 -68.1 -40.4 64.9 2.9 20.7 756 125 E D H X S+ 0 0 61 -4,-1.9 4,-1.1 1,-0.2 5,-0.2 0.911 110.3 47.3 -62.1 -45.6 67.5 4.5 18.5 757 126 E A H X S+ 0 0 12 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.841 111.8 52.6 -64.5 -34.4 70.2 4.1 21.0 758 127 E F H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.2 39.9 -69.7 -43.4 69.2 0.5 21.6 759 128 E V H < S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.549 121.8 40.8 -88.4 -9.3 69.3 -0.7 18.0 760 129 E T H < S+ 0 0 97 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.646 88.6 95.5-110.2 -23.6 72.5 1.3 16.9 761 130 E T S < S- 0 0 24 -4,-1.5 2,-0.1 -5,-0.2 3,-0.0 -0.583 71.1-135.3 -73.6 122.9 74.8 0.8 19.9 762 131 E P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -27,-0.1 -0.375 18.6-105.3 -76.2 156.7 77.1 -2.1 19.4 763 132 E W - 0 0 38 1,-0.1 -31,-0.2 -2,-0.1 -30,-0.1 -0.716 28.7-143.3 -77.8 126.7 78.0 -4.8 21.9 764 133 E S - 0 0 58 -32,-0.9 -1,-0.1 -2,-0.4 -32,-0.1 0.768 10.3-147.8 -70.3 -29.6 81.5 -4.0 23.2 765 134 E K + 0 0 162 -33,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.637 35.1 167.7 68.4 17.9 82.8 -7.6 23.5 766 135 E A > - 0 0 27 -34,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.225 42.6-118.8 -64.6 155.5 85.0 -6.6 26.4 767 136 E Q H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.900 108.3 45.8 -67.6 -48.2 86.5 -9.4 28.5 768 137 E R H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.808 112.1 52.9 -68.9 -30.2 85.0 -8.7 31.9 769 138 E H H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 111.0 45.2 -69.7 -45.7 81.5 -8.2 30.4 770 139 E Q H X S+ 0 0 67 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.843 109.3 57.8 -65.6 -35.0 81.6 -11.5 28.6 771 140 E R H X S+ 0 0 126 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.871 109.5 44.1 -60.9 -39.3 82.9 -13.1 31.8 772 141 E R H X S+ 0 0 135 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.841 110.4 53.4 -78.0 -36.3 79.9 -12.0 33.8 773 142 E I H X S+ 0 0 17 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.860 110.4 49.2 -63.0 -37.1 77.4 -12.9 31.1 774 143 E D H X S+ 0 0 85 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.824 105.9 55.0 -75.1 -34.2 78.8 -16.5 31.1 775 144 E I H X S+ 0 0 88 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.897 112.1 45.4 -62.3 -40.1 78.7 -16.8 34.9 776 145 E L H X S+ 0 0 91 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.880 109.5 53.4 -71.2 -39.1 75.0 -16.0 34.6 777 146 E A H X S+ 0 0 46 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.799 107.5 53.3 -65.2 -29.6 74.4 -18.4 31.7 778 147 E E H X S+ 0 0 89 -4,-1.5 4,-1.9 2,-0.2 5,-0.3 0.837 106.8 50.9 -73.4 -36.8 76.0 -21.1 33.8 779 148 E Y H X S+ 0 0 92 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.825 106.7 55.2 -67.4 -34.0 73.6 -20.4 36.7 780 149 E E H < S+ 0 0 59 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.850 110.1 47.3 -65.9 -34.0 70.6 -20.6 34.2 781 150 E R H < S+ 0 0 178 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.937 131.3 14.0 -72.8 -49.5 71.8 -24.1 33.1 782 151 E T H < S- 0 0 43 -4,-1.9 -3,-0.2 2,-0.1 -2,-0.2 0.692 84.0-138.3-102.7 -26.4 72.4 -25.7 36.6 783 152 E H < + 0 0 128 -4,-2.0 2,-0.6 -5,-0.3 -4,-0.1 0.774 54.4 141.8 61.1 32.2 70.7 -23.4 39.0 784 153 E E - 0 0 142 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.916 55.9-123.4-102.1 114.4 73.6 -23.7 41.4 785 154 E A - 0 0 84 -2,-0.6 3,-0.1 -3,-0.1 0, 0.0 -0.368 28.3-123.5 -58.4 125.5 74.4 -20.4 43.1 786 155 E P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.321 38.9 -81.5 -70.7 158.3 78.1 -19.5 42.4 787 156 E P - 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.327 37.4-136.0 -68.2 136.8 80.4 -18.8 45.3 788 157 E V - 0 0 118 -3,-0.1 2,-2.2 2,-0.1 -3,-0.0 -0.778 22.6-118.9 -87.9 131.9 80.3 -15.4 47.0 789 158 E P S S+ 0 0 142 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.078 92.3 33.7 -59.8 39.2 83.8 -14.0 47.8 790 159 E G 0 0 57 -2,-2.2 -2,-0.1 1,-0.0 0, 0.0 -0.655 360.0 360.0 169.9 134.2 83.0 -13.9 51.6 791 160 E A 0 0 160 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 0.644 360.0 360.0-118.2 360.0 81.2 -15.8 54.3