==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-APR-13 4K37 . COMPND 2 MOLECULE: ANAEROBIC SULFATASE-MATURATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR P.J.GOLDMAN,C.L.DRENNAN . 733 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.0 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 1 2 2 0 4 2 0 2 0 6 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 2 6 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 . 5 4 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 2 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 P 0 0 97 0, 0.0 2,-0.4 0, 0.0 53,-0.2 0.000 360.0 360.0 360.0 160.7 11.1 25.5 21.2 2 4 A L E -a 54 0A 30 51,-1.2 53,-2.2 44,-0.1 2,-0.4 -0.955 360.0-171.2-123.8 141.7 13.6 27.4 23.3 3 5 A S E -a 55 0A 60 -2,-0.4 2,-0.3 51,-0.2 53,-0.2 -0.996 6.7-172.9-136.2 124.5 14.4 26.7 27.0 4 6 A L E -a 56 0A 1 51,-2.4 53,-2.2 -2,-0.4 2,-0.6 -0.889 19.2-149.0-121.3 146.2 16.6 29.0 29.2 5 7 A L E -ab 57 261A 27 255,-2.5 257,-2.9 -2,-0.3 2,-0.3 -0.949 27.3-167.1-111.3 107.6 18.0 28.7 32.7 6 8 A I E -ab 58 262A 0 51,-3.7 53,-2.9 -2,-0.6 257,-0.2 -0.728 22.2-159.0-105.9 142.4 18.3 32.2 34.2 7 9 A K > + 0 0 9 255,-2.7 3,-1.9 -2,-0.3 257,-0.2 -0.794 16.0 176.3-114.4 86.1 20.1 33.4 37.3 8 10 A P T 3 S+ 0 0 0 0, 0.0 26,-2.8 0, 0.0 -1,-0.1 0.724 85.8 34.0 -72.5 -19.6 18.3 36.7 38.0 9 11 A A T > S- 0 0 5 50,-0.5 3,-2.0 1,-0.4 23,-0.3 0.052 106.0-140.6-111.1 22.1 20.3 37.3 41.3 10 12 A S T < - 0 0 0 -3,-1.9 51,-0.5 1,-0.3 -1,-0.4 -0.252 65.0 -29.3 51.9-138.3 23.4 35.7 39.7 11 13 A S T 3 S+ 0 0 0 18,-0.3 13,-2.2 49,-0.2 14,-0.3 0.318 103.1 127.7 -88.2 7.5 25.2 33.6 42.3 12 14 A G < + 0 0 14 -3,-2.0 50,-2.7 11,-0.2 49,-0.6 -0.371 32.8 168.3 -66.9 144.4 24.1 35.7 45.2 13 15 A C - 0 0 33 48,-0.2 12,-0.1 47,-0.1 -2,-0.0 -0.992 44.1-141.7-155.7 153.2 22.4 33.9 48.1 14 16 A N S S+ 0 0 42 -2,-0.3 118,-2.2 117,-0.0 119,-0.3 0.477 89.0 60.9 -93.7 -6.4 21.2 34.3 51.6 15 17 A L B -J 131 0B 5 116,-0.3 116,-0.3 117,-0.1 114,-0.1 -0.700 63.4-153.3-112.0 168.0 22.4 30.8 52.6 16 18 A K - 0 0 78 114,-2.7 115,-0.1 -2,-0.2 114,-0.1 -0.376 20.2-166.0-136.1 55.4 25.8 29.1 52.6 17 19 A C > - 0 0 9 1,-0.1 3,-1.8 112,-0.1 112,-0.2 -0.147 25.3-124.7 -47.8 132.7 25.0 25.4 52.2 18 20 A T T 3 S+ 0 0 76 110,-2.2 -1,-0.1 1,-0.3 111,-0.1 0.837 105.5 38.2 -58.0 -37.8 28.1 23.5 53.1 19 21 A Y T 3 S+ 0 0 2 109,-0.1 2,-0.4 183,-0.1 -1,-0.3 0.457 89.8 118.5 -90.4 -1.1 28.3 21.5 49.8 20 22 A C < + 0 0 23 -3,-1.8 3,-0.1 1,-0.1 171,-0.0 -0.528 30.5 171.8 -84.6 126.0 27.2 24.3 47.5 21 23 A F S S+ 0 0 49 -2,-0.4 -1,-0.1 1,-0.1 172,-0.0 0.218 70.2 75.5-106.4 12.8 29.6 25.6 44.8 22 24 A Y S S+ 0 0 14 6,-0.1 2,-0.2 39,-0.0 -1,-0.1 0.693 75.0 90.7 -93.8 -22.2 27.0 27.8 43.2 23 25 A H S S- 0 0 26 -6,-0.1 -11,-0.2 1,-0.1 -12,-0.1 -0.526 70.9-134.4 -92.1 149.3 26.9 30.6 45.7 24 26 A S S S+ 0 0 40 -13,-2.2 2,-0.4 -2,-0.2 -12,-0.1 0.753 77.5 94.4 -72.8 -30.6 29.1 33.7 45.6 25 27 A L 0 0 55 -14,-0.3 -2,-0.1 1,-0.2 4,-0.0 -0.525 360.0 360.0 -72.6 120.0 30.3 34.0 49.1 26 28 A S 0 0 131 -2,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.211 360.0 360.0 23.3 360.0 33.6 32.2 48.9 27 ! 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 28 33 A V 0 0 88 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 136.7 32.1 32.4 42.6 29 34 A K - 0 0 136 -4,-0.0 2,-0.4 2,-0.0 -18,-0.3 -0.572 360.0-163.7 -73.3 124.8 31.6 35.4 40.4 30 35 A S - 0 0 40 -2,-0.3 -20,-0.1 -20,-0.1 3,-0.1 -0.973 14.9-171.2-109.8 135.0 28.3 37.4 41.0 31 36 A Y - 0 0 69 -2,-0.4 -21,-0.1 1,-0.4 -1,-0.1 0.247 43.2-126.9-100.0 9.6 27.1 39.8 38.5 32 37 A G - 0 0 30 -23,-0.3 -1,-0.4 2,-0.1 2,-0.3 -0.288 55.6 -18.0 76.7-163.6 24.4 41.2 40.8 33 38 A I S S- 0 0 97 -24,-0.2 -24,-0.2 1,-0.1 2,-0.1 -0.631 79.0-102.9 -81.3 134.7 20.7 41.4 40.1 34 39 A M - 0 0 3 -26,-2.8 231,-0.1 -2,-0.3 -1,-0.1 -0.339 38.4-122.9 -57.8 126.1 19.8 41.3 36.5 35 40 A R > - 0 0 127 229,-0.6 4,-2.4 -2,-0.1 3,-0.3 -0.277 16.7-115.9 -67.8 154.6 18.9 44.7 35.1 36 41 A D H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.887 115.2 53.7 -57.3 -39.0 15.6 45.4 33.5 37 42 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 110.2 46.6 -71.1 -30.3 17.2 46.1 30.1 38 43 A V H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.930 113.4 49.4 -72.0 -44.7 19.0 42.7 30.2 39 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.932 113.4 46.1 -58.6 -46.1 15.8 41.0 31.2 40 45 A E H X S+ 0 0 49 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.910 109.3 54.4 -67.5 -39.5 13.8 42.7 28.5 41 46 A S H X S+ 0 0 28 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.6 44.8 -57.6 -40.5 16.4 41.9 25.8 42 47 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 114.7 45.6 -71.2 -45.8 16.2 38.2 26.7 43 48 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.945 114.1 48.7 -65.8 -47.0 12.5 38.0 26.9 44 49 A K H X S+ 0 0 122 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.941 113.6 48.0 -57.2 -48.8 12.0 39.9 23.6 45 50 A R H X S+ 0 0 42 -4,-2.2 4,-2.5 -5,-0.3 3,-0.3 0.938 111.5 47.2 -58.2 -52.6 14.6 37.7 21.9 46 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.920 114.4 47.1 -59.8 -40.9 13.3 34.3 23.0 47 52 A L H < S+ 0 0 0 -4,-2.2 37,-0.3 -5,-0.3 -1,-0.2 0.753 114.1 48.6 -76.3 -20.2 9.8 35.2 22.1 48 53 A N H < S+ 0 0 82 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.829 121.3 33.6 -81.0 -35.3 10.9 36.6 18.7 49 54 A E H < S+ 0 0 51 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.732 96.3 96.4 -97.5 -25.3 13.0 33.5 17.8 50 55 A A < - 0 0 1 -4,-2.5 2,-0.4 -5,-0.3 4,-0.1 -0.292 53.5-155.3 -74.2 149.5 11.2 30.6 19.4 51 56 A N - 0 0 67 2,-0.3 2,-2.0 452,-0.1 452,-0.3 -0.964 69.6 -3.5-117.0 145.8 8.7 28.3 17.6 52 57 A G S S- 0 0 19 450,-2.7 35,-1.0 -2,-0.4 2,-0.3 -0.418 123.4 -24.5 79.3 -67.5 6.0 26.3 19.3 53 58 A H E - c 0 87A 69 -2,-2.0 -51,-1.2 33,-0.2 2,-0.3 -0.971 56.4-145.6-162.2 171.8 6.7 27.2 22.9 54 59 A C E -ac 2 88A 0 33,-2.0 35,-2.5 -2,-0.3 2,-0.4 -0.981 4.8-144.8-147.0 168.0 9.4 28.3 25.3 55 60 A S E -ac 3 89A 29 -53,-2.2 -51,-2.4 -2,-0.3 2,-0.5 -0.989 4.2-167.2-135.8 137.1 10.5 27.9 28.9 56 61 A F E -ac 4 90A 0 33,-2.8 35,-2.1 -2,-0.4 2,-0.4 -0.991 10.9-171.9-123.5 120.5 12.2 30.2 31.4 57 62 A A E -ac 5 91A 8 -53,-2.2 -51,-3.7 -2,-0.5 2,-0.5 -0.906 10.5-150.4-114.0 137.5 13.7 28.6 34.6 58 63 A F E +ac 6 92A 0 33,-1.6 35,-2.5 -2,-0.4 -51,-0.2 -0.951 36.1 132.6-116.6 116.6 14.9 30.8 37.4 59 64 A Q + 0 0 21 -53,-2.9 -50,-0.5 -2,-0.5 2,-0.3 -0.327 14.5 103.4-134.9-148.7 17.8 29.5 39.6 60 65 A G S S- 0 0 0 -53,-0.1 -49,-0.2 -2,-0.1 2,-0.2 -0.960 89.6 -16.8 157.6-139.5 21.1 30.7 41.0 61 66 A G S S- 0 0 2 -49,-0.6 -48,-0.2 -51,-0.5 -50,-0.1 0.688 127.9 -37.0 65.3 169.6 22.1 31.6 43.5 62 67 A E > - 0 0 0 -50,-2.7 3,-2.0 -53,-0.2 4,-0.2 -0.891 58.3-162.1-104.3 107.4 18.7 32.3 45.3 63 68 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.762 83.0 70.0 -68.2 -22.5 16.4 33.7 42.6 64 69 A T G > S+ 0 0 6 1,-0.3 3,-1.6 2,-0.2 7,-0.1 0.696 81.8 77.3 -66.9 -13.9 14.0 35.2 45.1 65 70 A L G < S+ 0 0 64 -3,-2.0 -1,-0.3 1,-0.3 -32,-0.1 0.700 79.9 69.0 -66.0 -17.6 16.7 37.7 46.0 66 71 A A G < S- 0 0 15 -3,-1.8 4,-0.3 -4,-0.2 -1,-0.3 0.719 110.9-125.7 -69.6 -19.4 15.9 39.6 42.8 67 72 A G X> - 0 0 19 -3,-1.6 4,-1.1 -4,-0.3 3,-0.5 0.089 16.5 -82.3 90.6 157.8 12.6 40.4 44.5 68 73 A L H 3> S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.853 123.5 60.8 -66.5 -34.4 9.0 40.0 43.7 69 74 A E H 3> S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 98.5 58.8 -62.7 -33.2 8.8 43.1 41.5 70 75 A F H <> S+ 0 0 11 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.919 109.0 44.9 -59.3 -43.7 11.5 41.6 39.2 71 76 A F H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.818 109.8 52.6 -73.6 -33.5 9.1 38.7 38.6 72 77 A E H X S+ 0 0 93 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.892 110.0 50.4 -64.6 -37.7 6.1 40.9 38.1 73 78 A K H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.898 106.2 56.8 -63.6 -43.6 8.2 42.8 35.5 74 79 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 107.2 47.4 -50.7 -49.3 9.0 39.4 33.9 75 80 A M H X S+ 0 0 18 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.899 111.4 50.3 -65.2 -37.1 5.3 38.6 33.4 76 81 A E H X S+ 0 0 79 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.908 111.9 48.6 -66.8 -39.0 4.6 42.1 32.0 77 82 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.847 108.4 53.1 -70.3 -36.1 7.4 41.7 29.5 78 83 A Q H X S+ 0 0 8 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.943 112.1 45.3 -63.2 -44.7 6.3 38.2 28.5 79 84 A R H < S+ 0 0 169 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 113.3 51.9 -63.2 -37.7 2.8 39.6 27.8 80 85 A K H < S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 120.3 30.8 -65.2 -38.1 4.4 42.6 25.9 81 86 A H H < S+ 0 0 31 -4,-2.0 2,-1.8 1,-0.1 3,-0.3 0.431 87.0 98.1-110.0 -0.9 6.6 40.5 23.6 82 87 A N >< + 0 0 31 -4,-1.4 3,-1.6 1,-0.2 -1,-0.1 -0.367 38.8 148.4 -87.2 60.7 4.7 37.2 23.1 83 88 A Y T 3 + 0 0 145 -2,-1.8 -1,-0.2 1,-0.3 -35,-0.1 0.643 67.8 56.5 -75.0 -13.4 3.3 38.4 19.8 84 89 A K T 3 S- 0 0 24 -3,-0.3 -1,-0.3 -37,-0.3 -32,-0.1 0.456 107.3-126.0 -91.0 -4.1 3.3 34.8 18.4 85 90 A N < + 0 0 131 -3,-1.6 2,-0.1 1,-0.2 -2,-0.1 0.874 45.2 174.1 61.3 39.6 1.1 33.6 21.3 86 91 A L - 0 0 5 -39,-0.1 2,-0.3 1,-0.1 -33,-0.2 -0.442 37.7-107.6 -70.5 151.4 3.5 30.9 22.2 87 92 A K E -c 53 0A 124 -35,-1.0 -33,-2.0 -2,-0.1 2,-0.4 -0.628 37.3-153.5 -76.3 137.0 2.8 28.9 25.4 88 93 A I E -c 54 0A 30 -2,-0.3 2,-0.6 -35,-0.2 -33,-0.2 -0.962 8.6-156.5-119.0 134.0 5.3 29.8 28.0 89 94 A Y E -c 55 0A 120 -35,-2.5 -33,-2.8 -2,-0.4 2,-0.4 -0.945 13.3-170.8-112.1 114.4 6.5 27.6 30.8 90 95 A N E +c 56 0A 12 -2,-0.6 23,-1.9 21,-0.4 2,-0.3 -0.858 9.7 169.9-105.6 136.9 7.9 29.5 33.9 91 96 A S E -cd 57 113A 34 -35,-2.1 -33,-1.6 -2,-0.4 2,-0.3 -0.962 15.3-160.9-142.9 164.4 9.7 27.7 36.8 92 97 A L E -cd 58 114A 2 21,-2.2 23,-2.8 -2,-0.3 2,-0.5 -0.991 8.9-154.7-145.3 137.9 11.7 28.6 39.9 93 98 A Q E + d 0 115A 39 -35,-2.5 2,-0.3 -2,-0.3 23,-0.2 -0.997 31.7 173.3-113.2 127.0 14.1 26.7 42.1 94 99 A T E - d 0 116A 0 21,-2.9 23,-2.1 -2,-0.5 -32,-0.1 -0.971 48.6-138.8-139.5 147.0 14.2 28.2 45.6 95 100 A N - 0 0 0 -2,-0.3 49,-0.1 21,-0.2 -1,-0.1 0.599 45.6-140.1 -74.0 -10.8 15.6 27.6 49.0 96 101 A G > + 0 0 0 1,-0.1 3,-1.2 48,-0.1 -1,-0.1 0.268 68.1 117.5 78.9 -10.6 12.2 28.8 50.2 97 102 A T T 3 S+ 0 0 4 1,-0.3 -1,-0.1 46,-0.1 44,-0.0 0.741 80.4 39.3 -68.4 -25.2 13.5 30.8 53.2 98 103 A L T 3 S+ 0 0 67 2,-0.1 -1,-0.3 43,-0.0 2,-0.2 0.398 85.7 122.2-103.3 0.7 12.2 34.1 51.8 99 104 A I < + 0 0 2 -3,-1.2 2,-0.2 41,-0.1 48,-0.1 -0.457 32.5 159.9 -68.5 130.2 8.8 32.8 50.5 100 105 A D > - 0 0 73 -2,-0.2 4,-2.7 47,-0.0 5,-0.2 -0.674 57.4 -75.3-132.7-168.8 5.8 34.5 52.0 101 106 A E H > S+ 0 0 82 1,-0.2 4,-2.6 -2,-0.2 5,-0.3 0.902 128.4 55.0 -63.3 -39.6 2.1 34.9 51.0 102 107 A S H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.945 112.1 43.5 -56.5 -44.8 2.9 37.5 48.4 103 108 A W H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.953 113.4 51.2 -63.3 -45.3 5.4 35.1 46.7 104 109 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.914 111.9 46.8 -63.4 -44.6 3.0 32.1 47.1 105 110 A K H X S+ 0 0 103 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.933 112.9 49.6 -57.9 -46.8 0.1 34.0 45.5 106 111 A F H X S+ 0 0 16 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.938 112.4 47.1 -58.5 -46.2 2.3 35.3 42.7 107 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.2 -1,-0.2 0.876 115.8 44.9 -67.9 -36.4 3.6 31.8 41.9 108 113 A S H ><5S+ 0 0 46 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.949 113.4 48.3 -70.7 -50.6 0.2 30.2 42.0 109 114 A E H 3<5S+ 0 0 149 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.825 115.8 44.5 -58.5 -37.8 -1.6 32.9 39.9 110 115 A N T 3<5S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.3 -20,-0.2 0.292 108.9-122.6 -94.2 10.5 1.2 32.8 37.3 111 116 A K T < 5 + 0 0 109 -3,-1.5 -21,-0.4 1,-0.2 2,-0.2 0.846 45.1 172.3 52.8 44.8 1.4 29.1 37.1 112 117 A F < - 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0 0 79 -3,-1.0 2,-0.6 -4,-0.2 -3,-0.0 -0.560 60.0-149.9 -73.1 126.7 32.8 9.8 23.7 308 313 A V - 0 0 45 -2,-0.4 31,-0.1 31,-0.0 5,-0.1 -0.864 14.8-124.6-102.3 122.5 31.9 6.4 25.1 309 314 A H > - 0 0 53 -2,-0.6 4,-1.4 29,-0.1 3,-0.2 -0.268 22.5-118.9 -61.1 153.4 34.2 4.8 27.7 310 315 A E H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.874 111.6 55.8 -68.3 -36.8 35.4 1.4 26.8 311 316 A E H >4 S+ 0 0 82 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.901 104.5 54.5 -59.6 -38.8 33.9 -0.3 29.8 312 317 A C H >4 S+ 0 0 13 1,-0.2 3,-1.6 -3,-0.2 -1,-0.2 0.859 99.3 62.1 -65.1 -33.0 30.5 1.1 28.8 313 318 A K H 3< S+ 0 0 136 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.854 112.2 37.0 -58.3 -39.1 30.8 -0.4 25.3 314 319 A K T << S+ 0 0 153 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.3 0.114 94.3 117.2 -98.1 18.5 31.0 -3.9 26.9 315 320 A C X - 0 0 22 -3,-1.6 3,-1.7 1,-0.1 4,-0.3 -0.745 59.2-147.2 -96.8 132.9 28.5 -3.2 29.7 316 321 A K T 3 S+ 0 0 140 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.704 101.9 50.4 -67.0 -16.5 25.2 -5.1 29.9 317 322 A W T >> S+ 0 0 19 1,-0.2 4,-3.1 2,-0.1 3,-2.0 0.300 75.8 105.9 -99.9 3.5 23.6 -2.0 31.3 318 323 A F H <> S+ 0 0 73 -3,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.890 77.0 55.3 -55.4 -43.1 24.7 0.5 28.7 319 324 A R H 34 S+ 0 0 211 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.620 118.2 36.1 -64.9 -12.0 21.3 0.7 27.0 320 325 A L H <4 S+ 0 0 10 -3,-2.0 -2,-0.2 -78,-0.0 -1,-0.2 0.782 129.9 28.6-107.9 -44.1 19.9 1.7 30.4 321 326 A C H >< S- 0 0 27 -4,-3.1 3,-1.6 -9,-0.1 -67,-0.2 0.877 73.9-165.9 -88.6 -46.8 22.7 3.8 31.9 322 327 A K T 3< S- 0 0 40 -4,-2.0 -4,-0.1 -5,-0.4 -3,-0.1 0.535 71.0 -63.5 68.9 10.3 24.3 5.3 28.8 323 328 A G T 3 S- 0 0 4 -15,-0.1 -1,-0.3 -11,-0.1 17,-0.1 0.341 80.5-117.7 97.4 -5.7 27.4 6.4 30.8 324 329 A G < - 0 0 8 -3,-1.6 2,-0.2 -72,-0.1 -73,-0.1 -0.136 60.8 -13.8 73.2-166.1 25.5 8.8 32.9 325 330 A C > - 0 0 33 1,-0.1 3,-1.7 -75,-0.1 4,-0.2 -0.507 56.1-133.2 -76.6 134.9 25.9 12.6 33.2 326 331 A R G >> S+ 0 0 12 1,-0.3 3,-2.1 -2,-0.2 4,-0.8 0.802 103.2 67.8 -56.4 -30.8 29.1 14.1 31.7 327 332 A R G 34 S+ 0 0 18 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.837 99.0 52.1 -63.2 -25.6 29.6 16.2 34.8 328 333 A C G <4 S+ 0 0 12 -3,-1.7 13,-2.5 1,-0.2 -1,-0.3 0.442 110.0 49.1 -88.1 1.5 30.3 12.9 36.7 329 334 A R T <4 S+ 0 0 8 -3,-2.1 9,-3.2 11,-0.2 2,-1.2 0.426 86.0 95.3-112.5 -7.8 32.9 11.9 34.0 330 335 A D < + 0 0 13 -4,-0.8 -136,-0.5 -3,-0.4 7,-0.1 -0.670 40.6 155.7 -97.7 87.8 34.8 15.1 34.0 331 336 A S + 0 0 34 -2,-1.2 2,-0.3 5,-0.3 -1,-0.2 0.797 60.7 20.7 -88.2 -33.4 37.7 14.6 36.4 332 337 A K S > S- 0 0 47 4,-0.2 3,-1.6 3,-0.1 -1,-0.2 -0.998 85.8 -96.6-143.0 143.8 40.4 17.0 35.3 333 338 A E T 3 S+ 0 0 113 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.234 105.4 6.2 -62.3 143.4 40.4 20.2 33.2 334 339 A D T 3 S+ 0 0 127 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.542 106.0 125.0 64.4 6.7 41.2 20.0 29.5 335 340 A S S < S- 0 0 67 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 -0.686 70.2 -98.5-101.9 151.4 41.2 16.3 29.9 336 341 A A - 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0 0 89 -3,-1.4 -11,-0.2 -4,-0.2 17,-0.1 -0.582 34.0-171.1 -71.5 115.6 10.2 28.1 -18.9 650 286 B L - 0 0 9 -13,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.792 46.8 -84.8 -81.1 -31.8 8.2 27.8 -22.1 651 287 B G E -T 637 0D 6 -14,-0.6 -14,-2.5 13,-0.0 2,-0.4 -0.963 55.9 -54.0 151.8-165.1 7.2 31.5 -22.5 652 288 B N E >> -T 636 0D 17 -2,-0.3 3,-1.7 -16,-0.2 4,-1.3 -0.929 29.8-140.1-117.0 133.7 4.6 33.9 -21.3 653 289 B I T 34 S+ 0 0 0 -18,-2.7 -17,-0.1 -2,-0.4 -1,-0.1 0.672 102.5 62.0 -64.2 -16.4 0.8 33.3 -21.6 654 290 B Q T 34 S+ 0 0 53 -19,-0.2 -1,-0.3 1,-0.1 -18,-0.1 0.740 114.8 30.5 -76.4 -22.9 0.4 37.0 -22.4 655 291 B D T <4 S+ 0 0 130 -3,-1.7 2,-0.4 1,-0.1 -2,-0.2 0.506 114.8 54.0-116.5 -11.2 2.5 36.8 -25.6 656 292 B M S < S- 0 0 43 -4,-1.3 -1,-0.1 4,-0.0 2,-0.1 -0.969 73.0-120.4-134.4 144.0 2.1 33.2 -26.9 657 293 B T > - 0 0 38 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.375 34.9-110.7 -72.0 160.0 -0.8 31.0 -27.9 658 294 B M H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 121.6 52.7 -59.0 -39.6 -1.2 27.7 -26.0 659 295 B K H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.0 50.1 -63.4 -42.9 -0.3 25.9 -29.2 660 296 B E H > S+ 0 0 95 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.908 111.0 49.5 -61.1 -42.6 2.9 28.0 -29.5 661 297 B L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.935 112.0 48.2 -61.0 -44.8 3.8 27.2 -25.9 662 298 B F H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 110.7 52.2 -64.4 -31.7 3.2 23.5 -26.6 663 299 B E H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.444 81.7 121.9 -89.7 0.6 5.3 23.6 -29.7 664 300 B T S S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 114.1 57.8 -53.1 -31.0 11.6 23.4 -28.3 666 302 B K H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.8 41.2 -73.2 -41.8 11.6 23.4 -24.5 667 303 B N H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 5,-0.3 0.925 113.2 54.6 -71.0 -41.9 8.3 21.6 -24.2 668 304 B H H X S+ 0 0 123 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.923 111.9 44.6 -56.0 -45.3 9.1 19.2 -27.0 669 305 B E H X S+ 0 0 103 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.871 108.1 56.8 -69.6 -39.3 12.3 18.2 -25.3 670 306 B F H X S+ 0 0 1 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.962 115.6 37.5 -52.8 -51.9 10.6 17.9 -21.8 671 307 B I H >< S+ 0 0 28 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.923 112.9 56.5 -70.3 -45.2 8.2 15.3 -23.2 672 308 B K H >< S+ 0 0 142 -4,-2.7 3,-1.7 -5,-0.3 4,-0.3 0.888 100.9 58.0 -55.9 -41.0 10.7 13.6 -25.5 673 309 B L H >< S+ 0 0 74 -4,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.811 99.7 60.0 -59.5 -29.6 13.0 12.8 -22.7 674 310 B S T << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.624 87.2 74.9 -76.2 -12.3 10.3 11.0 -20.9 675 311 B F T < + 0 0 130 -3,-1.7 -1,-0.2 -4,-0.5 2,-0.2 0.622 68.7 107.8 -76.8 -15.1 9.9 8.5 -23.8 676 312 B K < - 0 0 79 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.0 -0.452 60.2-150.5 -64.6 132.2 13.0 6.6 -22.9 677 313 B V - 0 0 48 -2,-0.2 31,-0.1 31,-0.0 5,-0.1 -0.939 15.7-122.7-108.4 127.0 12.3 3.2 -21.3 678 314 B H >> - 0 0 32 -2,-0.5 4,-1.3 29,-0.1 3,-1.0 -0.365 22.7-114.7 -70.7 149.2 14.8 1.8 -18.8 679 315 B E H 3> S+ 0 0 112 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.871 115.2 54.5 -54.0 -41.2 16.3 -1.6 -19.5 680 316 B E H >4 S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.874 104.8 54.1 -60.7 -35.3 14.6 -3.2 -16.5 681 317 B C H X4 S+ 0 0 16 -3,-1.0 3,-1.0 1,-0.2 -1,-0.2 0.834 99.5 61.2 -70.1 -29.2 11.3 -2.1 -17.7 682 318 B K H 3< S+ 0 0 167 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.655 113.5 37.1 -72.6 -17.3 11.8 -3.7 -21.1 683 319 B K T << S+ 0 0 155 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.3 0.322 94.0 115.1-112.3 8.3 12.0 -7.1 -19.4 684 320 B C X - 0 0 27 -3,-1.0 3,-1.5 -4,-0.3 4,-0.3 -0.672 56.7-151.5 -89.8 127.6 9.4 -6.4 -16.7 685 321 B K T 3 S+ 0 0 141 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.698 98.4 55.4 -62.5 -20.3 6.2 -8.4 -16.5 686 322 B W T >> S+ 0 0 15 1,-0.2 4,-2.7 2,-0.1 3,-2.1 0.468 71.8 101.3 -96.5 -0.8 4.5 -5.4 -14.9 687 323 B F H <> S+ 0 0 73 -3,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.881 76.7 62.0 -51.2 -40.2 5.3 -2.8 -17.6 688 324 B R H 34 S+ 0 0 121 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.748 117.0 29.6 -57.9 -25.8 1.7 -3.1 -18.9 689 325 B L H <4 S+ 0 0 15 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.759 131.4 34.6 -98.6 -32.4 0.4 -1.9 -15.5 690 326 B C H >< - 0 0 25 -4,-2.7 3,-1.8 -9,-0.1 -3,-0.2 0.853 69.9-164.7 -97.6 -43.6 3.3 0.4 -14.4 691 327 B K T 3< S- 0 0 37 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.490 72.6 -67.8 67.6 5.6 4.7 2.0 -17.6 692 328 B G T 3 S- 0 0 5 -6,-0.1 -1,-0.3 -71,-0.1 17,-0.2 0.345 79.2-117.5 95.5 -5.3 7.8 2.9 -15.6 693 329 B G < - 0 0 8 -3,-1.8 2,-0.3 -72,-0.1 -70,-0.2 -0.174 61.4 -9.2 74.4-164.1 5.9 5.4 -13.5 694 330 B C > - 0 0 32 1,-0.1 3,-1.9 -75,-0.1 4,-0.3 -0.520 53.7-135.7 -78.3 130.8 6.4 9.2 -13.2 695 331 B R G >> S+ 0 0 14 -2,-0.3 3,-1.9 1,-0.3 4,-0.9 0.820 103.9 65.1 -52.4 -34.5 9.4 10.9 -14.9 696 332 B R G 34 S+ 0 0 18 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.826 98.9 53.3 -58.8 -29.9 10.0 12.9 -11.7 697 333 B C G <4 S+ 0 0 24 -3,-1.9 13,-2.5 1,-0.2 -1,-0.3 0.436 110.7 47.7 -86.0 1.0 10.8 9.7 -9.8 698 334 B R T <4 S+ 0 0 10 -3,-1.9 9,-2.6 -4,-0.3 2,-1.2 0.457 85.7 95.7-111.5 -10.7 13.4 8.8 -12.5 699 335 B D < + 0 0 14 -4,-0.9 -136,-0.5 -3,-0.3 3,-0.1 -0.691 41.2 155.8 -94.4 91.1 15.1 12.2 -12.6 700 336 B S + 0 0 32 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.793 62.6 16.2 -87.2 -37.4 18.1 11.7 -10.2 701 337 B K S > S- 0 0 42 3,-0.2 3,-1.7 4,-0.2 -1,-0.3 -0.999 88.9 -94.0-145.7 137.2 20.6 14.2 -11.4 702 338 B E T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.261 105.2 -2.9 -57.6 129.6 20.4 17.3 -13.6 703 339 B D T 3 S+ 0 0 134 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.426 101.4 116.5 68.7 0.0 21.2 16.6 -17.3 704 340 B S S < S- 0 0 57 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.2 -0.696 80.7 -88.9 -87.3 153.8 22.1 12.9 -16.7 705 341 B A - 0 0 74 -2,-0.3 -5,-0.3 1,-0.1 -4,-0.2 -0.268 51.6 -87.1 -63.5 149.1 19.7 10.6 -18.5 706 342 B L - 0 0 17 -33,-0.2 -7,-0.2 -7,-0.1 2,-0.1 -0.276 51.7-157.6 -49.4 137.4 16.5 9.4 -16.7 707 343 B E - 0 0 83 -9,-2.6 -29,-0.1 1,-0.2 3,-0.1 -0.397 33.3 -54.3-110.1-170.2 17.2 6.3 -14.6 708 344 B L S S- 0 0 43 1,-0.1 -1,-0.2 -2,-0.1 4,-0.0 -0.409 72.5 -86.4 -67.6 140.4 15.0 3.5 -13.2 709 345 B N > - 0 0 8 -17,-0.2 3,-2.1 1,-0.2 4,-0.3 -0.175 31.2-131.8 -46.8 130.6 12.1 4.6 -11.1 710 346 B Y T 3 S+ 0 0 53 -13,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.803 109.0 45.4 -53.8 -30.7 13.1 5.2 -7.5 711 347 B Y T >> S+ 0 0 2 1,-0.2 4,-2.3 -14,-0.1 3,-0.5 0.228 75.4 117.1-102.1 13.5 10.1 3.1 -6.5 712 348 B C H <> S+ 0 0 23 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.889 77.4 49.3 -44.8 -52.0 10.5 0.3 -9.0 713 349 B Q H 3> S+ 0 0 99 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.858 108.8 53.1 -63.5 -34.1 11.0 -2.3 -6.3 714 350 B S H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.920 110.2 48.5 -65.0 -44.4 7.9 -1.1 -4.4 715 351 B Y H X S+ 0 0 25 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.942 109.4 51.4 -61.1 -47.5 5.8 -1.5 -7.6 716 352 B K H X S+ 0 0 54 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.937 115.5 41.8 -56.7 -48.0 7.1 -5.0 -8.3 717 353 B E H X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.919 114.1 51.8 -68.3 -40.5 6.3 -6.2 -4.8 718 354 B F H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.914 109.5 49.7 -60.1 -45.1 3.0 -4.4 -4.7 719 355 B F H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.895 108.2 51.9 -65.9 -38.6 1.8 -5.9 -8.0 720 356 B E H < S+ 0 0 105 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.884 116.4 43.2 -61.5 -34.9 2.7 -9.4 -7.0 721 357 B Y H < S+ 0 0 91 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.822 125.9 29.1 -75.5 -33.5 0.6 -8.8 -3.9 722 358 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.1 3,-0.4 0.673 90.5 89.8-109.2 -20.4 -2.3 -7.0 -5.5 723 359 B F H X S+ 0 0 73 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.876 87.5 51.7 -54.7 -47.5 -2.7 -8.3 -9.1 724 360 B P H > S+ 0 0 87 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.926 115.4 43.0 -55.8 -43.6 -5.0 -11.3 -8.3 725 361 B R H > S+ 0 0 53 -3,-0.4 4,-2.5 -4,-0.2 -2,-0.2 0.834 107.9 59.0 -72.6 -31.3 -7.4 -8.9 -6.4 726 362 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.888 104.3 52.3 -61.5 -38.9 -7.1 -6.2 -9.0 727 363 B I H X S+ 0 0 76 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.938 108.3 51.7 -61.3 -42.4 -8.5 -8.8 -11.5 728 364 B N H < S+ 0 0 61 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.936 112.0 44.8 -59.3 -45.5 -11.4 -9.4 -9.1 729 365 B V H >< S+ 0 0 5 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.926 109.1 55.7 -65.0 -42.3 -12.2 -5.7 -8.9 730 366 B A H 3< S+ 0 0 16 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.747 109.6 48.5 -62.4 -21.6 -11.9 -5.3 -12.7 731 367 B N T 3< S+ 0 0 123 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.265 115.5 46.0 -98.1 12.5 -14.5 -8.0 -12.9 732 368 B N < 0 0 89 -3,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 -0.002 360.0 360.0-143.7 29.6 -16.8 -6.3 -10.4 733 369 B I 0 0 141 -3,-0.3 -3,-0.1 -4,-0.0 -4,-0.1 0.393 360.0 360.0 -68.4 360.0 -17.1 -2.6 -11.1 734 !* 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 0.0 735 504 A X 0 0 25 0, 0.0 -641,-0.3 0, 0.0 -673,-0.1 0.000 360.0 360.0 360.0 360.0 18.2 27.7 45.2 736 !* 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 0.0 737 504 B X 0 0 31 0, 0.0 -274,-0.2 0, 0.0 -306,-0.1 0.000 360.0 360.0 360.0 360.0 -1.8 24.1 -0.8