==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-APR-10 2XD3 . COMPND 2 MOLECULE: MALTOSE/MALTODEXTRIN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR D.W.ABBOTT,M.A.HIGGINS,S.HYRNUIK,B.PLUVINAGE,A.LAMMERTS VAN . 375 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 2 2 0 2 3 2 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 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 . 3 1 1 3 1 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 1 0 1 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 42 A E 0 0 160 0, 0.0 2,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 42.7 3.3 -3.4 38.8 2 43 A L - 0 0 7 26,-0.4 28,-2.7 25,-0.0 2,-0.5 -0.732 360.0-152.7-173.1 130.4 6.2 -5.7 39.7 3 44 A T E -a 30 0A 36 -2,-0.2 51,-2.3 26,-0.2 52,-1.4 -0.933 4.1-161.6-115.8 128.4 6.4 -8.6 42.2 4 45 A V E -ab 31 55A 0 26,-2.5 28,-3.3 -2,-0.5 2,-0.6 -0.916 4.5-157.6-108.5 125.9 9.5 -9.8 44.1 5 46 A Y E +ab 32 56A 37 50,-2.3 52,-0.7 -2,-0.5 2,-0.3 -0.913 30.0 148.7-105.5 117.7 9.6 -13.3 45.6 6 47 A V E -a 33 0A 3 26,-2.1 28,-2.1 -2,-0.6 5,-0.0 -0.936 49.9 -85.7-140.8 160.3 12.2 -13.7 48.4 7 48 A D > - 0 0 69 -2,-0.3 3,-2.3 26,-0.2 4,-0.2 -0.332 50.0-106.1 -56.3 145.8 12.9 -15.4 51.7 8 49 A E G > S+ 0 0 117 1,-0.3 3,-2.8 2,-0.2 4,-0.4 0.851 115.9 69.6 -41.0 -48.9 11.4 -13.8 54.8 9 50 A G G 3 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.534 99.2 50.1 -53.8 -10.2 14.9 -12.5 55.9 10 51 A Y G <> S+ 0 0 13 -3,-2.3 4,-3.1 2,-0.1 -1,-0.3 0.385 81.0 97.7-107.2 -1.0 14.8 -10.1 52.9 11 52 A K H <> S+ 0 0 82 -3,-2.8 4,-2.5 -4,-0.2 5,-0.1 0.917 86.5 43.8 -55.2 -51.7 11.3 -8.7 53.6 12 53 A S H > S+ 0 0 54 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.895 115.1 50.8 -61.8 -43.3 12.5 -5.5 55.4 13 54 A Y H > S+ 0 0 1 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 112.5 44.4 -58.4 -51.6 15.2 -5.0 52.8 14 55 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.857 109.1 57.6 -67.2 -35.8 12.8 -5.3 49.9 15 56 A E H X S+ 0 0 87 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.943 112.0 41.6 -57.1 -48.6 10.2 -3.0 51.6 16 57 A E H X S+ 0 0 95 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.900 115.4 48.1 -66.1 -46.4 12.8 -0.2 51.9 17 58 A V H X S+ 0 0 5 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.905 110.7 52.7 -62.7 -43.3 14.3 -0.7 48.4 18 59 A A H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.922 105.8 54.2 -54.4 -49.5 10.7 -0.7 46.9 19 60 A K H X S+ 0 0 125 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.832 113.9 42.1 -52.2 -39.2 10.0 2.6 48.7 20 61 A A H X S+ 0 0 39 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.884 111.9 52.4 -77.9 -42.1 13.0 4.1 47.1 21 62 A Y H X S+ 0 0 4 -4,-3.0 4,-1.5 1,-0.2 6,-0.5 0.842 107.9 53.3 -62.8 -35.7 12.5 2.6 43.6 22 63 A E H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.4 45.2 -64.4 -40.4 8.9 4.0 43.7 23 64 A K H < S+ 0 0 150 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.7 37.8 -67.0 -46.8 10.4 7.4 44.4 24 65 A E H < S+ 0 0 144 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.996 131.7 16.9 -71.6 -69.2 13.2 7.2 41.8 25 66 A A S < S- 0 0 16 -4,-1.5 2,-0.4 -5,-0.1 0, 0.0 -0.374 92.3-108.2 -87.1 179.3 11.4 5.5 38.9 26 67 A G S S+ 0 0 69 -2,-0.1 2,-0.4 2,-0.1 -4,-0.2 -0.451 72.8 120.2-111.5 60.1 7.6 5.3 38.9 27 68 A V - 0 0 21 -6,-0.5 2,-0.6 -2,-0.4 -2,-0.1 -0.980 55.4-137.6-130.9 134.2 7.0 1.6 39.7 28 69 A K - 0 0 122 -2,-0.4 2,-0.7 -6,-0.1 -26,-0.4 -0.803 19.3-161.0 -89.1 119.2 5.2 -0.1 42.6 29 70 A V - 0 0 14 -2,-0.6 2,-0.4 -11,-0.2 -26,-0.2 -0.900 6.7-170.0-105.6 112.7 7.1 -3.1 43.9 30 71 A T E -a 3 0A 70 -28,-2.7 -26,-2.5 -2,-0.7 2,-0.4 -0.799 13.7-137.2-101.2 141.8 5.1 -5.6 45.8 31 72 A L E -a 4 0A 41 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.813 13.8-167.1-108.5 143.4 6.7 -8.4 47.8 32 73 A K E -a 5 0A 131 -28,-3.3 -26,-2.1 -2,-0.4 2,-0.3 -0.979 18.8-148.7-120.7 133.9 5.8 -12.1 48.1 33 74 A T E +a 6 0A 57 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.801 34.8 108.0-110.4 144.9 7.6 -14.0 50.8 34 75 A G - 0 0 20 -28,-2.1 2,-0.2 -2,-0.3 5,-0.1 -0.961 67.1 -36.2 169.7 174.8 8.5 -17.7 50.8 35 76 A D > - 0 0 104 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.389 48.5-150.1 -57.3 120.6 11.1 -20.5 50.7 36 77 A A H > S+ 0 0 32 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.929 94.4 40.6 -62.4 -51.9 13.7 -19.4 48.1 37 78 A L H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 114.9 54.6 -65.6 -38.5 14.7 -22.9 46.8 38 79 A G H > S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.861 103.6 54.6 -60.9 -40.8 11.1 -23.9 46.9 39 80 A G H < S+ 0 0 3 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.871 110.6 46.9 -59.6 -38.8 10.1 -20.9 44.7 40 81 A L H >X S+ 0 0 1 -4,-1.4 3,-0.9 1,-0.2 4,-0.5 0.838 104.2 60.6 -72.3 -36.5 12.7 -22.1 42.2 41 82 A D H 3< S+ 0 0 112 -4,-2.0 3,-0.3 1,-0.2 4,-0.3 0.840 111.4 40.5 -57.3 -34.8 11.5 -25.7 42.3 42 83 A K T 3X S+ 0 0 104 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.449 88.7 96.9 -95.4 -1.7 8.1 -24.6 41.1 43 84 A L H <> S+ 0 0 0 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.891 80.4 53.4 -56.9 -46.0 9.4 -22.1 38.6 44 85 A S H X S+ 0 0 53 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.899 112.9 43.9 -56.6 -44.5 9.1 -24.5 35.6 45 86 A L H > S+ 0 0 105 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.872 113.1 51.6 -68.8 -37.7 5.5 -25.1 36.4 46 87 A D H X S+ 0 0 18 -4,-2.6 4,-1.3 1,-0.2 5,-0.4 0.854 105.0 56.5 -66.5 -36.6 4.8 -21.4 37.0 47 88 A N H < S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 101.0 59.4 -59.5 -37.5 6.4 -20.6 33.6 48 89 A Q H < S+ 0 0 155 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.3 33.1 -57.1 -42.4 3.8 -23.0 32.1 49 90 A N H < S- 0 0 87 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.543 105.8-120.1 -94.4 -9.6 0.9 -20.8 33.4 50 91 A G S < S+ 0 0 40 -4,-1.3 2,-2.3 1,-0.1 -3,-0.2 0.155 76.1 125.6 88.1 -18.6 2.6 -17.3 33.2 51 92 A N + 0 0 121 -5,-0.4 -1,-0.1 -6,-0.2 -4,-0.1 -0.431 35.1 136.9 -75.8 71.0 2.1 -16.9 37.0 52 93 A V - 0 0 20 -2,-2.3 222,-0.2 220,-0.2 -49,-0.1 -0.843 58.3-108.7-113.8 151.3 5.8 -16.1 37.8 53 94 A P - 0 0 16 0, 0.0 -49,-0.2 0, 0.0 3,-0.1 -0.381 26.5-126.8 -70.2 163.0 7.3 -13.5 40.1 54 95 A D S S+ 0 0 16 -51,-2.3 2,-0.3 1,-0.3 -50,-0.2 0.821 89.9 12.0 -80.9 -31.2 9.0 -10.6 38.2 55 96 A V E +b 4 0A 0 -52,-1.4 -50,-2.3 214,-0.1 -1,-0.3 -0.991 69.5 162.8-145.7 139.5 12.3 -11.0 40.2 56 97 A M E -bC 5 268A 3 212,-2.1 212,-3.4 -2,-0.3 2,-0.4 -0.917 33.4-107.1-146.8 171.7 13.6 -13.7 42.5 57 98 A M E + C 0 267A 10 -52,-0.7 210,-0.2 -2,-0.3 -17,-0.1 -0.861 31.8 178.2-106.7 141.8 16.9 -14.8 44.1 58 99 A A E - C 0 266A 0 208,-2.2 208,-3.0 -2,-0.4 2,-0.1 -0.995 33.3-112.2-138.1 142.4 18.9 -18.0 43.1 59 100 A P E >> - C 0 265A 25 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.448 42.4-109.1 -62.4 149.7 22.1 -19.6 44.2 60 101 A Y H 3> S+ 0 0 0 204,-1.9 4,-1.8 1,-0.3 3,-0.2 0.834 116.9 58.3 -56.2 -40.6 24.7 -19.4 41.3 61 102 A D H 3> S+ 0 0 20 1,-0.2 4,-1.8 203,-0.2 -1,-0.3 0.881 109.9 45.7 -55.7 -40.0 24.6 -23.2 40.6 62 103 A R H <> S+ 0 0 41 -3,-0.9 4,-2.4 2,-0.2 5,-0.5 0.709 103.0 62.7 -75.4 -27.6 20.8 -22.9 40.0 63 104 A V H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.919 110.3 43.2 -57.8 -41.1 21.3 -19.7 37.8 64 105 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 26,-0.2 -2,-0.2 0.902 118.7 40.4 -72.3 -44.6 23.3 -22.2 35.6 65 106 A S H X S+ 0 0 17 -4,-1.8 4,-1.8 2,-0.2 6,-0.2 0.944 119.2 43.7 -73.9 -47.6 20.8 -25.1 35.7 66 107 A L H <>S+ 0 0 7 -4,-2.4 5,-2.4 2,-0.2 6,-0.5 0.900 118.3 47.0 -64.0 -39.7 17.6 -23.1 35.5 67 108 A G H ><5S+ 0 0 1 -4,-1.6 3,-1.5 -5,-0.5 5,-0.2 0.932 111.7 49.1 -63.4 -50.5 19.2 -20.9 32.7 68 109 A S H 3<5S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.3 54.3 -58.9 -29.0 20.5 -23.9 30.8 69 110 A D T 3<5S- 0 0 108 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.391 116.9-110.2 -89.4 0.7 17.0 -25.5 31.1 70 111 A G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.586 85.8 116.3 85.7 12.1 15.2 -22.5 29.6 71 112 A Q < + 0 0 21 -5,-2.4 200,-2.5 -6,-0.2 2,-0.4 0.523 64.5 63.9 -91.5 -7.7 13.4 -21.3 32.8 72 113 A L B S-F 270 0B 8 -6,-0.5 2,-0.1 198,-0.3 -2,-0.1 -0.936 74.5-126.3-126.1 141.8 15.2 -17.9 33.0 73 114 A S - 0 0 14 196,-3.1 196,-0.4 -2,-0.4 2,-0.2 -0.462 42.7 -99.3 -70.9 151.6 15.3 -14.8 31.0 74 115 A E - 0 0 114 -2,-0.1 2,-0.4 197,-0.1 25,-0.3 -0.514 40.0-143.7 -70.0 143.9 18.7 -13.5 30.0 75 116 A V - 0 0 8 23,-2.3 2,-0.4 -2,-0.2 25,-0.2 -0.922 2.8-134.9-116.8 137.8 19.9 -10.8 32.3 76 117 A K - 0 0 162 -2,-0.4 2,-0.9 23,-0.1 23,-0.0 -0.749 14.6-136.0 -90.0 137.6 22.0 -7.7 31.3 77 118 A L - 0 0 47 -2,-0.4 24,-0.0 24,-0.0 5,-0.0 -0.820 22.4-154.6 -97.7 103.0 25.0 -6.8 33.5 78 119 A S > - 0 0 34 -2,-0.9 3,-0.6 1,-0.1 5,-0.4 -0.234 25.6-118.2 -67.1 160.3 24.9 -3.0 34.0 79 120 A D G > S+ 0 0 152 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.834 115.8 62.1 -63.4 -34.4 28.1 -1.0 34.8 80 121 A G G 3 S+ 0 0 32 1,-0.3 209,-0.6 2,-0.1 -1,-0.2 0.689 87.2 70.7 -65.3 -21.8 26.4 -0.0 38.0 81 122 A A G < S- 0 0 1 -3,-0.6 -1,-0.3 207,-0.2 225,-0.2 0.710 91.9-148.0 -67.0 -21.0 26.3 -3.7 39.1 82 123 A K < + 0 0 73 -3,-1.4 224,-2.5 -4,-0.3 -3,-0.1 0.925 28.8 176.0 47.5 54.3 30.1 -3.5 39.6 83 124 A T - 0 0 43 -5,-0.4 2,-0.2 222,-0.2 -1,-0.1 -0.372 14.9-154.5 -76.0 160.2 30.6 -7.1 38.6 84 125 A D > - 0 0 47 -2,-0.1 4,-2.2 220,-0.1 5,-0.2 -0.684 37.8 -86.1-122.0-172.8 34.1 -8.6 38.3 85 126 A D H > S+ 0 0 121 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.892 125.5 47.4 -62.7 -39.3 35.5 -11.5 36.3 86 127 A T H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.863 113.7 44.5 -74.9 -35.7 34.6 -14.1 39.0 87 128 A T H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.845 111.9 54.5 -76.4 -33.7 31.0 -12.9 39.6 88 129 A K H >X S+ 0 0 96 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.914 108.9 48.9 -56.9 -46.7 30.4 -12.6 35.9 89 130 A S H 3< S+ 0 0 71 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.808 104.6 59.3 -66.3 -31.1 31.5 -16.2 35.5 90 131 A L H 3< S+ 0 0 9 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.721 110.8 40.7 -72.4 -21.8 29.2 -17.3 38.3 91 132 A V H << S+ 0 0 0 -4,-0.8 8,-2.5 -3,-0.7 2,-0.6 0.386 95.7 94.4-106.8 -0.1 26.1 -16.0 36.5 92 133 A T B < -G 98 0C 36 -4,-0.5 6,-0.2 -3,-0.5 243,-0.1 -0.851 67.5-145.6 -97.0 117.1 27.2 -17.2 33.0 93 134 A A > - 0 0 4 4,-2.6 3,-1.0 -2,-0.6 243,-0.1 -0.176 33.3 -92.9 -74.8 172.3 25.8 -20.6 32.1 94 135 A A T 3 S+ 0 0 72 241,-0.3 -1,-0.1 1,-0.2 242,-0.1 0.699 126.7 55.8 -60.8 -17.0 27.6 -23.2 29.9 95 136 A N T 3 S- 0 0 68 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.172 117.9-125.4 -84.3 7.4 25.9 -21.8 26.8 96 137 A G < + 0 0 50 -3,-1.0 2,-0.2 1,-0.2 -2,-0.2 0.201 65.5 132.6 -93.6 91.1 27.3 -19.2 27.9 97 138 A K - 0 0 87 -6,-0.0 -4,-2.6 2,-0.0 2,-0.5 -0.660 58.8-109.1 -91.4 157.9 24.5 -16.7 28.2 98 139 A V B +G 92 0C 31 -2,-0.2 -23,-2.3 -6,-0.2 -6,-0.2 -0.791 36.1 171.9 -94.1 127.1 24.0 -14.6 31.4 99 140 A Y + 0 0 17 -8,-2.5 170,-0.4 -2,-0.5 2,-0.3 0.268 58.7 28.2-123.8 12.8 21.0 -15.5 33.6 100 141 A G - 0 0 0 -9,-0.4 168,-0.2 -25,-0.2 -25,-0.1 -0.988 64.6-123.2-160.4 163.9 21.5 -13.5 36.7 101 142 A A E -D 267 0A 1 166,-2.2 166,-2.9 -2,-0.3 203,-0.1 -0.976 44.4-111.2-110.9 120.3 22.9 -10.3 38.3 102 143 A P E +D 266 0A 2 0, 0.0 164,-0.3 0, 0.0 203,-0.2 -0.208 47.3 159.6 -53.8 130.8 25.4 -11.1 41.1 103 144 A A E + 0 0 0 162,-2.6 201,-1.2 1,-0.4 2,-0.3 0.678 59.6 20.1-123.3 -36.9 23.9 -10.0 44.5 104 145 A V E -DE 265 303A 0 161,-2.2 161,-1.1 199,-0.3 -1,-0.4 -0.990 51.9-160.1-139.9 140.0 25.8 -12.0 47.2 105 146 A I E +DE 264 302A 0 197,-2.3 197,-0.6 -2,-0.3 2,-0.3 -0.951 28.5 166.9-111.5 146.9 29.1 -13.8 47.5 106 147 A E E -D 263 0A 12 157,-1.8 157,-1.5 -2,-0.4 2,-0.3 -0.996 23.4-176.5-154.9 152.6 29.4 -16.3 50.3 107 148 A S - 0 0 0 -2,-0.3 155,-0.1 155,-0.2 220,-0.1 -0.959 42.6 -97.2-140.5 153.3 31.3 -19.1 51.7 108 149 A L - 0 0 0 -2,-0.3 141,-0.3 153,-0.3 2,-0.2 -0.434 49.3-178.6 -58.8 147.7 30.6 -21.2 54.7 109 150 A V E -H 229 0D 0 120,-2.7 120,-2.0 139,-0.1 2,-0.7 -0.795 31.6 -92.4-138.2 175.5 32.6 -20.0 57.8 110 151 A M E -HI 228 247D 0 137,-2.7 137,-2.6 -2,-0.2 2,-0.4 -0.910 32.2-165.0 -99.9 115.4 33.0 -20.9 61.4 111 152 A Y E -HI 227 246D 0 116,-1.7 116,-2.5 -2,-0.7 2,-0.3 -0.813 14.1-174.8 -88.2 136.8 30.7 -19.3 63.9 112 153 A Y E -HI 226 245D 23 133,-2.6 133,-3.1 -2,-0.4 2,-0.8 -0.948 29.0-114.0-135.8 155.4 31.8 -19.6 67.6 113 154 A N E >> - I 0 244D 8 112,-2.6 4,-1.5 -2,-0.3 3,-1.3 -0.799 17.2-163.5 -94.4 109.5 30.3 -18.7 70.9 114 155 A K T 34 S+ 0 0 88 129,-2.5 -1,-0.2 -2,-0.8 130,-0.1 0.695 90.2 60.8 -62.9 -22.0 32.4 -16.0 72.6 115 156 A D T 34 S+ 0 0 117 128,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.685 112.4 37.4 -74.6 -21.6 30.7 -16.8 75.9 116 157 A L T <4 S+ 0 0 36 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.680 121.4 34.6-101.8 -25.0 32.0 -20.4 75.8 117 158 A V < - 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0 0 7 -5,-2.5 -1,-0.3 19,-0.2 2,-0.3 -0.253 27.1-177.8 -65.9 157.9 38.2 -34.6 46.4 168 209 A Y E -M 181 0G 74 13,-0.6 13,-0.7 1,-0.2 16,-0.2 -0.969 26.7-144.4-149.0 156.6 36.6 -32.8 43.5 169 210 A V E S+ 0 0 0 1,-0.4 12,-1.3 -2,-0.3 13,-0.3 0.933 85.4 4.7 -82.2 -69.3 33.1 -32.8 42.0 170 211 A F E > S-M 180 0G 2 10,-0.2 4,-1.6 11,-0.1 -1,-0.4 -0.887 82.3-108.5-115.7 148.8 33.9 -32.3 38.3 171 212 A G H >>S+M 176 0G 3 8,-1.7 5,-2.6 5,-1.5 4,-1.7 -0.021 93.5 39.3 -61.5 173.0 37.3 -32.2 36.5 172 213 A Q H 45S- 0 0 141 1,-0.2 3,-0.4 3,-0.2 -1,-0.2 0.907 139.6 -49.5 45.7 53.7 38.9 -29.0 35.0 173 214 A N H 45S- 0 0 137 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.892 114.6 -41.1 55.0 49.6 37.7 -26.8 37.9 174 215 A G H <5S+ 0 0 2 -4,-1.6 162,-0.3 -3,-0.1 -1,-0.2 0.608 123.6 93.0 83.3 15.7 34.1 -27.9 37.9 175 216 A K T <5 + 0 0 106 -4,-1.7 2,-1.2 -3,-0.4 -3,-0.2 0.742 59.4 78.9-110.2 -31.9 33.6 -28.0 34.1 176 217 A D E > < -M 171 0G 52 -5,-2.6 -5,-1.5 1,-0.2 3,-1.4 -0.679 52.0-177.1 -89.9 95.2 34.3 -31.6 33.0 177 218 A A E 3 S+ 0 0 11 -2,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.552 79.1 62.5 -68.1 -10.4 31.2 -33.6 33.9 178 219 A K E 3 S+ 0 0 157 1,-0.2 2,-0.8 197,-0.1 -1,-0.3 0.659 93.5 65.4 -88.8 -21.1 32.8 -36.8 32.7 179 220 A D E < - 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0 0 82 1,-0.2 4,-1.7 2,-0.0 -1,-0.3 -0.878 59.9-179.9-130.8 94.9 7.7 -7.3 30.9 276 317 A L H > S+ 0 0 77 -2,-0.5 4,-3.0 -3,-0.3 5,-0.2 0.893 84.5 56.2 -63.8 -43.1 11.5 -8.2 30.7 277 318 A E H > S+ 0 0 159 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 108.4 48.0 -53.3 -47.8 12.6 -4.5 30.4 278 319 A A H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 113.0 48.1 -63.2 -39.6 10.8 -3.5 33.6 279 320 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 110.1 51.1 -66.9 -44.1 12.3 -6.5 35.4 280 321 A Q H X S+ 0 0 19 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.871 107.5 56.3 -58.0 -39.4 15.8 -5.8 34.2 281 322 A K H X S+ 0 0 105 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.897 109.3 42.6 -60.8 -47.1 15.3 -2.2 35.4 282 323 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.876 113.5 53.6 -68.5 -37.3 14.5 -3.2 39.0 283 324 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 106.7 51.7 -61.2 -45.3 17.4 -5.7 38.9 284 325 A D H X S+ 0 0 47 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.889 111.8 47.9 -56.4 -41.3 19.8 -3.0 37.8 285 326 A F H >< S+ 0 0 15 -4,-1.6 3,-0.9 1,-0.2 6,-0.5 0.923 108.9 53.2 -65.3 -45.3 18.6 -0.9 40.7 286 327 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.812 114.2 41.5 -59.2 -34.7 19.0 -3.9 43.2 287 328 A V H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.427 88.5 114.6 -96.3 -2.7 22.6 -4.5 42.2 288 329 A A S S+ 0 0 23 -209,-0.6 4,-2.4 1,-0.2 5,-0.2 0.826 116.2 53.3 -48.5 -43.8 26.0 0.2 44.7 290 331 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.7 42.5 -59.4 -49.9 23.5 1.9 47.0 291 332 A Q H > S+ 0 0 21 -6,-0.5 4,-1.4 -3,-0.4 -1,-0.2 0.737 113.1 54.5 -70.3 -26.1 21.0 -1.0 47.3 292 333 A Q H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.882 107.6 49.1 -75.9 -39.8 23.9 -3.4 47.6 293 334 A K H X S+ 0 0 65 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.910 110.3 51.2 -58.8 -45.5 25.3 -1.5 50.6 294 335 A V H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.855 104.6 58.6 -63.9 -32.2 21.8 -1.5 52.1 295 336 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 6,-0.5 0.955 108.4 44.1 -59.0 -49.3 21.8 -5.3 51.5 296 337 A Y H X S+ 0 0 22 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.954 112.6 53.4 -57.7 -49.1 24.9 -5.6 53.7 297 338 A D H < S+ 0 0 82 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.2 37.5 -54.2 -42.1 23.3 -3.1 56.3 298 339 A K H < S+ 0 0 69 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.747 134.6 16.4 -87.9 -22.0 20.1 -5.2 56.6 299 340 A T H < S- 0 0 4 -4,-2.0 -64,-0.4 -5,-0.2 -3,-0.2 0.564 85.1-127.3-125.7 -11.8 21.4 -8.8 56.4 300 341 A N < + 0 0 12 -4,-2.7 -4,-0.2 -5,-0.4 2,-0.1 0.493 62.6 141.9 63.4 7.4 25.2 -8.8 57.0 301 342 A E - 0 0 6 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.467 60.6-104.9 -76.6 152.0 25.5 -10.8 53.8 302 343 A I E -E 105 0A 0 -197,-0.6 -197,-2.3 -2,-0.1 7,-0.1 -0.685 35.2-127.6 -86.0 115.5 28.5 -9.9 51.6 303 344 A P E -E 104 0A 0 0, 0.0 -199,-0.3 0, 0.0 -200,-0.1 -0.258 4.7-148.6 -61.1 146.6 27.6 -7.9 48.5 304 345 A A S S+ 0 0 0 -201,-1.2 -201,-0.2 -39,-0.1 -200,-0.1 0.836 76.0 95.2 -80.1 -39.2 28.7 -9.1 45.0 305 346 A N S > S- 0 0 0 -202,-0.3 4,-2.5 -203,-0.2 -223,-0.2 -0.365 78.6-138.8 -51.4 122.9 28.9 -5.4 43.7 306 347 A T H > S+ 0 0 48 -224,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.800 99.1 49.3 -67.9 -29.3 32.6 -4.7 44.2 307 348 A E H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 114.5 44.0 -69.4 -49.7 32.0 -1.1 45.5 308 349 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.833 112.3 55.5 -63.5 -31.6 29.4 -2.3 48.0 309 350 A R H X S+ 0 0 27 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.854 103.6 52.1 -69.3 -38.0 31.7 -5.2 48.9 310 351 A S H X S+ 0 0 74 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.905 107.1 55.2 -63.4 -41.8 34.6 -2.8 49.7 311 352 A Y H X S+ 0 0 66 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 108.7 46.7 -52.1 -49.4 32.2 -0.9 52.0 312 353 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 5,-0.5 0.918 110.7 52.4 -62.6 -42.7 31.4 -4.2 53.8 313 354 A E H < S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.6 51.1 -60.3 -36.0 35.2 -5.0 54.0 314 355 A G H < S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 101.1 59.6 -67.7 -41.7 35.7 -1.5 55.6 315 356 A K H < S- 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.826 93.7-163.8 -54.0 -33.9 33.0 -2.1 58.1 316 357 A N < + 0 0 108 -4,-1.4 -3,-0.1 -5,-0.2 -1,-0.1 0.708 18.3 168.9 61.4 28.8 35.4 -5.0 59.0 317 358 A D > - 0 0 34 -5,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.335 48.9-108.1 -66.3 156.9 33.0 -7.1 61.0 318 359 A E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 116.9 54.4 -58.3 -37.8 34.2 -10.6 61.8 319 360 A L H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.932 109.0 45.8 -63.8 -48.1 31.8 -12.3 59.4 320 361 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 112.8 51.8 -60.3 -46.0 32.8 -10.2 56.4 321 362 A T H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.928 113.1 43.8 -57.6 -48.6 36.5 -10.8 57.2 322 363 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 112.0 52.3 -66.3 -43.3 36.1 -14.5 57.4 323 364 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.896 111.3 48.8 -57.7 -39.9 33.9 -14.7 54.3 324 365 A I H X S+ 0 0 28 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.940 115.7 40.9 -69.7 -48.2 36.5 -12.8 52.3 325 366 A K H >X S+ 0 0 76 -4,-2.3 3,-1.5 1,-0.2 4,-0.7 0.946 115.4 51.6 -61.1 -50.0 39.5 -15.0 53.5 326 367 A Q H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.3 -2,-0.2 0.873 101.9 61.3 -56.2 -39.1 37.5 -18.2 53.1 327 368 A F H 3< S+ 0 0 36 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.685 98.5 57.7 -62.0 -23.6 36.5 -17.2 49.5 328 369 A K H << S+ 0 0 156 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.729 106.9 49.0 -73.9 -27.7 40.2 -17.3 48.6 329 370 A N S << S+ 0 0 61 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.244 98.6 91.2 -97.7 9.7 40.4 -20.9 49.7 330 371 A T - 0 0 30 -3,-0.5 -69,-0.2 -4,-0.1 -70,-0.1 -0.538 67.2-135.8 -96.4 162.2 37.3 -22.1 47.8 331 372 A Q E -n 261 0H 27 -71,-0.7 -69,-2.8 -72,-0.4 -2,-0.1 -0.920 49.6 -92.0-104.7 147.0 36.7 -23.5 44.3 332 373 A P E -n 262 0H 72 0, 0.0 -69,-0.2 0, 0.0 -71,-0.1 -0.207 40.6 -99.8 -63.0 148.2 33.7 -21.8 42.7 333 374 A L - 0 0 5 -71,-1.9 -73,-0.0 1,-0.1 -3,-0.0 -0.543 48.6-116.5 -63.3 117.3 30.2 -23.4 43.1 334 375 A P - 0 0 7 0, 0.0 -270,-0.1 0, 0.0 -1,-0.1 -0.328 30.3-173.2 -61.2 140.1 29.7 -25.2 39.8 335 376 A N + 0 0 5 -161,-0.2 -241,-0.3 -243,-0.1 2,-0.2 0.162 41.7 119.9-122.3 16.5 26.9 -23.9 37.6 336 377 A I S > S- 0 0 8 -162,-0.3 3,-1.8 -243,-0.1 4,-0.4 -0.521 76.7-111.4 -76.0 151.5 26.8 -26.5 34.8 337 378 A S G > S+ 0 0 44 1,-0.3 3,-1.5 -273,-0.2 4,-0.2 0.820 113.1 66.4 -49.2 -38.0 23.6 -28.4 34.5 338 379 A Q G > S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.693 82.8 74.0 -69.2 -19.2 25.1 -31.6 35.7 339 380 A M G X> S+ 0 0 2 -3,-1.8 3,-2.1 1,-0.3 4,-0.8 0.850 84.5 68.1 -57.7 -35.7 25.7 -30.2 39.2 340 381 A S G <4 S+ 0 0 77 -3,-1.5 4,-0.3 -4,-0.4 -1,-0.3 0.693 96.5 54.1 -58.4 -20.6 22.0 -30.6 39.8 341 382 A A G <4 S+ 0 0 11 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.489 99.7 64.9 -88.9 -5.7 22.4 -34.4 39.7 342 383 A V T <> S+ 0 0 1 -3,-2.1 4,-2.4 -4,-0.2 5,-0.2 0.861 83.8 67.8 -85.8 -39.4 25.2 -34.4 42.4 343 384 A W H X S+ 0 0 59 -4,-0.8 4,-2.0 1,-0.2 -188,-0.3 0.869 102.3 41.9 -59.5 -49.0 23.4 -33.1 45.5 344 385 A D H > S+ 0 0 101 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.959 116.4 44.3 -67.0 -56.9 21.1 -36.1 46.2 345 386 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.921 115.4 51.5 -52.9 -40.5 23.4 -39.0 45.5 346 387 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.876 108.6 50.3 -65.0 -38.0 26.2 -37.2 47.5 347 388 A K H X S+ 0 0 66 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.915 112.0 47.5 -63.7 -43.5 23.8 -36.7 50.5 348 389 A N H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.893 107.3 57.0 -67.1 -39.6 22.9 -40.4 50.4 349 390 A M H X S+ 0 0 3 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.949 109.9 45.9 -47.9 -51.6 26.6 -41.2 50.2 350 391 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.931 112.9 47.2 -67.9 -49.1 27.2 -39.3 53.4 351 392 A F H X S+ 0 0 30 -4,-2.5 4,-1.8 -198,-0.2 6,-0.3 0.941 115.0 47.8 -50.2 -53.6 24.2 -40.7 55.4 352 393 A D H <>S+ 0 0 40 -4,-2.7 6,-2.6 1,-0.2 5,-0.9 0.820 116.3 42.3 -61.7 -36.7 25.2 -44.3 54.3 353 394 A A H ><5S+ 0 0 3 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.930 113.9 47.2 -78.1 -47.3 28.9 -43.9 55.2 354 395 A V H 3<5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.785 112.6 50.4 -71.2 -25.9 28.7 -42.0 58.5 355 396 A S T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.584 111.8-123.3 -79.5 -15.3 26.0 -44.5 59.8 356 397 A G T < 5S+ 0 0 40 -3,-0.9 -3,-0.2 2,-0.3 -2,-0.1 0.550 76.8 126.6 80.6 9.3 28.3 -47.3 58.8 357 398 A Q S - 0 0 92 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.478 40.1-105.8 -76.7 161.4 31.9 -48.4 54.0 360 401 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 116.0 46.5 -59.8 -48.6 33.1 -45.0 52.7 361 402 A K H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 114.1 48.1 -60.9 -45.9 34.6 -46.1 49.4 362 403 A T H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.949 110.9 50.7 -62.3 -51.1 31.6 -48.2 48.5 363 404 A A H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.890 113.6 46.3 -51.4 -45.7 29.2 -45.4 49.3 364 405 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.945 111.7 49.7 -63.5 -50.6 31.2 -43.0 47.1 365 406 A N H X S+ 0 0 67 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.885 112.8 48.4 -56.1 -41.1 31.4 -45.5 44.2 366 407 A D H X S+ 0 0 55 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.896 110.8 50.1 -66.7 -42.4 27.7 -46.0 44.4 367 408 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.904 111.3 49.7 -60.1 -42.1 27.1 -42.2 44.5 368 409 A V H X S+ 0 0 16 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.916 108.0 52.1 -66.7 -42.6 29.3 -41.8 41.4 369 410 A T H X S+ 0 0 74 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.915 112.6 46.5 -59.7 -42.7 27.6 -44.5 39.4 370 411 A L H X S+ 0 0 75 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.832 112.7 48.2 -68.0 -37.7 24.2 -42.8 40.1 371 412 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.926 111.0 52.1 -65.0 -45.6 25.5 -39.3 39.3 372 413 A K H < S+ 0 0 96 -4,-3.2 -2,-0.2 1,-0.2 3,-0.2 0.920 107.6 54.0 -54.9 -46.9 27.0 -40.8 36.1 373 414 A E H < S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.945 103.9 53.3 -46.0 -59.0 23.5 -42.3 35.3 374 415 A T H < 0 0 103 -4,-1.9 -1,-0.2 -33,-0.1 -2,-0.2 0.796 360.0 360.0 -62.1 -32.9 21.7 -38.9 35.6 375 416 A L < 0 0 63 -4,-1.7 -3,-0.1 -3,-0.2 -197,-0.1 0.228 360.0 360.0-107.9 360.0 24.1 -37.3 33.1