==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-12 4EQN . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 25.4 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 6 A K 0 0 223 0, 0.0 2,-0.1 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 130.4 16.7 -6.3 -28.6 2 7 A L - 0 0 27 62,-0.0 2,-0.4 1,-0.0 64,-0.1 -0.362 360.0-133.8 -89.0 172.9 13.8 -5.3 -26.3 3 8 A H - 0 0 103 62,-0.4 62,-0.5 -2,-0.1 2,-0.3 -0.986 8.5-127.4-135.1 143.5 13.7 -1.9 -24.5 4 9 A K E -A 64 0A 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.678 24.0-163.0 -88.4 140.1 12.9 -1.0 -21.0 5 10 A E E -A 63 0A 24 58,-3.0 58,-2.6 -2,-0.3 2,-0.0 -0.944 23.3-106.8-123.0 145.4 10.1 1.6 -20.3 6 11 A P E +A 62 0A 112 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.348 41.4 167.7 -67.6 145.2 9.4 3.6 -17.1 7 12 A A - 0 0 17 54,-1.6 54,-0.5 15,-0.1 2,-0.4 -0.957 24.2-133.6-147.6 164.8 6.4 2.7 -15.0 8 13 A T E -B 21 0A 80 13,-2.0 13,-3.1 -2,-0.3 2,-0.2 -0.932 27.2-103.4-125.1 144.3 5.3 3.7 -11.4 9 14 A L E +B 20 0A 50 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.437 38.2 163.9 -67.0 129.1 4.0 1.5 -8.6 10 15 A I E - 0 0 71 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.722 65.5 -41.6 -99.9 -57.1 0.3 1.4 -7.9 11 16 A K E -B 19 0A 107 8,-2.0 8,-2.8 0, 0.0 -1,-0.3 -0.980 51.1-103.5-167.5 153.4 0.1 -1.7 -5.8 12 17 A A E +B 18 0A 32 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.375 30.5 173.0 -69.4 157.8 1.2 -5.3 -5.3 13 18 A I E - 0 0 77 4,-1.0 2,-0.2 1,-0.5 5,-0.2 0.485 53.4 -46.6-128.7 -65.9 -1.2 -8.1 -6.2 14 19 A D E > S-B 17 0A 18 3,-1.9 3,-0.6 33,-0.1 -1,-0.5 -0.795 73.8 -59.8-155.3-162.4 0.6 -11.5 -6.0 15 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.829 131.1 20.3 -63.2 -30.0 3.7 -13.4 -7.0 16 21 A D T 3 S+ 0 0 6 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.235 115.4 67.3-128.1 15.7 3.3 -12.9 -10.7 17 22 A T E < +BC 14 30A 10 -3,-0.6 -3,-1.9 13,-0.2 -4,-1.0 -0.999 52.0 172.9-135.9 145.7 1.0 -9.9 -11.1 18 23 A E E -BC 12 29A 2 11,-1.9 11,-3.2 -2,-0.4 2,-0.6 -0.995 29.2-128.1-150.7 141.6 1.6 -6.2 -10.2 19 24 A K E +BC 11 28A 48 -8,-2.8 -9,-2.6 -2,-0.3 -8,-2.0 -0.843 37.5 168.4 -99.3 114.3 -0.5 -3.0 -10.7 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.8 -2,-0.6 2,-0.6 -0.933 38.7-119.7-124.2 150.8 1.6 -0.2 -12.3 21 26 A M E +BC 8 26A 67 -13,-3.1 -13,-2.0 -2,-0.3 2,-0.4 -0.831 36.9 179.9 -88.7 122.9 0.8 3.1 -13.9 22 27 A Y E > - C 0 25A 23 3,-2.7 3,-1.5 -2,-0.6 -15,-0.1 -0.984 68.3 -16.9-131.0 117.9 2.0 2.9 -17.5 23 28 A K T 3 S- 0 0 164 -2,-0.4 -1,-0.1 -17,-0.3 -16,-0.1 0.872 129.7 -52.7 51.4 38.4 1.5 5.9 -19.8 24 29 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.642 116.9 113.7 81.0 8.7 -1.0 7.3 -17.3 25 30 A Q E < -C 22 0A 119 -3,-1.5 -3,-2.7 2,-0.0 2,-0.5 -0.961 67.8-128.1-116.6 133.1 -3.1 4.1 -17.3 26 31 A P E +C 21 0A 73 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.659 42.1 175.8 -75.4 119.0 -3.5 1.8 -14.3 27 32 A M E -C 20 0A 38 -7,-2.8 -7,-2.7 -2,-0.5 2,-0.6 -0.993 34.2-133.7-130.2 143.5 -2.6 -1.7 -15.6 28 33 A T E -C 19 0A 29 -2,-0.4 49,-2.4 -9,-0.2 2,-0.5 -0.829 27.3-154.7 -87.3 123.1 -2.2 -5.1 -14.2 29 34 A F E -Cd 18 77A 0 -11,-3.2 -11,-1.9 -2,-0.6 2,-0.5 -0.903 3.8-156.6 -99.5 129.7 1.0 -6.6 -15.5 30 35 A R E -Cd 17 78A 20 47,-3.5 49,-1.5 -2,-0.5 2,-0.3 -0.920 28.2-114.4-101.2 132.5 1.3 -10.3 -15.6 31 36 A L E > - d 0 79A 4 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.443 30.4-121.0 -72.7 125.6 5.0 -11.5 -15.6 32 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.316 83.7 5.0 -58.7 144.0 6.1 -13.2 -18.8 33 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.9 1,-0.1 2,-0.3 0.438 109.7 89.5 67.4 12.2 7.5 -16.8 -18.9 34 39 A V E < -H 100 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.881 52.0-159.2-136.2 161.8 6.8 -17.6 -15.2 35 40 A D E -H 99 0B 55 64,-1.9 64,-2.1 -2,-0.3 3,-0.1 -0.913 8.5-167.7-140.6 117.4 4.1 -19.0 -12.9 36 41 A T - 0 0 4 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.716 38.8 -94.5 -91.8 152.4 4.0 -18.3 -9.1 37 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.282 48.9 -95.0 -56.2 150.1 1.6 -20.4 -6.9 38 43 A E > - 0 0 115 1,-0.1 3,-2.2 -24,-0.1 6,-0.2 -0.262 45.4 -98.1 -62.2 158.9 -1.7 -18.9 -6.2 39 50 A F T 3 S+ 0 0 111 1,-0.3 -1,-0.1 5,-0.2 7,-0.1 0.811 122.2 43.2 -57.0 -33.2 -1.9 -17.0 -3.0 40 51 A N T 3 S+ 0 0 148 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.302 98.6 90.3-101.2 15.7 -3.4 -19.8 -0.9 41 52 A E S X S- 0 0 111 -3,-2.2 3,-2.5 1,-0.1 0, 0.0 -0.627 98.5 -71.2 -94.8 161.0 -1.2 -22.6 -2.4 42 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.321 124.2 11.8 -56.7 141.0 2.1 -23.6 -0.8 43 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.310 98.2 114.7 67.2 -4.7 4.8 -20.8 -1.4 44 55 A G H <> S+ 0 0 0 -3,-2.5 4,-2.4 -6,-0.2 -29,-0.2 0.933 75.8 42.8 -56.6 -51.8 2.0 -18.5 -2.6 45 56 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.854 115.5 51.7 -66.8 -28.8 2.3 -16.1 0.3 46 57 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.871 109.6 46.9 -75.7 -44.8 6.1 -16.1 -0.0 47 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.936 112.5 52.4 -63.0 -39.2 6.1 -15.4 -3.8 48 59 A S H X S+ 0 0 15 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.935 111.8 45.6 -56.0 -47.2 3.6 -12.6 -3.1 49 60 A A H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.862 111.5 52.3 -67.5 -37.5 5.9 -11.1 -0.5 50 61 A F H X S+ 0 0 68 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.957 113.4 41.3 -65.0 -48.0 9.0 -11.5 -2.6 51 62 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.942 115.2 52.3 -65.3 -48.9 7.6 -9.7 -5.7 52 63 A K H X S+ 0 0 88 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.926 115.1 39.5 -51.7 -52.1 5.9 -7.0 -3.6 53 64 A K H X S+ 0 0 130 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 113.1 55.1 -72.0 -38.9 9.1 -6.1 -1.6 54 65 A M H < S+ 0 0 38 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.934 116.2 38.0 -58.9 -41.9 11.4 -6.4 -4.6 55 66 A V H >< S+ 0 0 2 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.971 117.4 46.0 -74.9 -48.8 9.3 -3.9 -6.6 56 67 A E H 3< S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.819 110.5 54.6 -78.1 -22.0 8.3 -1.5 -3.8 57 68 A N T 3< S+ 0 0 115 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.3 0.634 90.3 95.5 -77.8 -12.3 11.9 -1.3 -2.5 58 69 A A < - 0 0 6 -3,-1.6 3,-0.1 -4,-0.4 24,-0.0 -0.604 63.3-152.3 -83.7 140.3 13.3 -0.3 -5.9 59 70 A K S S+ 0 0 195 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.835 87.5 45.1 -69.7 -34.8 13.9 3.3 -6.8 60 71 A K - 0 0 100 -52,-0.0 24,-2.7 -3,-0.0 2,-0.4 -0.954 67.3-172.6-123.4 119.3 13.5 2.6 -10.4 61 72 A K E + E 0 83A 43 -2,-0.5 -54,-1.6 -54,-0.5 2,-0.3 -0.920 11.4 176.0-111.0 134.2 10.7 0.4 -11.8 62 73 A E E -AE 6 82A 30 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.979 18.8-152.0-137.0 151.4 10.7 -0.6 -15.5 63 74 A V E -AE 5 81A 0 -58,-2.6 -58,-3.0 -2,-0.3 2,-0.4 -0.956 8.3-165.5-121.5 144.4 8.6 -2.8 -17.8 64 75 A E E -AE 4 80A 12 16,-2.3 16,-2.4 -2,-0.4 -60,-0.2 -0.967 8.0-153.1-133.2 112.3 9.9 -4.5 -20.9 65 76 A F E - E 0 79A 10 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.507 14.8-132.7 -80.3 158.8 7.5 -5.9 -23.5 66 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.124 33.8 -89.1 -92.3-159.3 8.6 -8.8 -25.7 67 78 A K S S+ 0 0 143 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.649 104.1 45.8 -89.6 -12.4 8.1 -9.1 -29.5 68 79 A G S S+ 0 0 29 1,-0.3 39,-0.1 38,-0.3 37,-0.0 0.272 107.5 0.2-105.8-136.7 4.7 -10.7 -29.6 69 80 A Q - 0 0 142 1,-0.1 -3,-0.3 -4,-0.0 -1,-0.3 -0.262 48.4-166.2 -59.2 135.9 1.4 -10.0 -27.7 70 81 A R S S+ 0 0 110 1,-0.2 8,-2.2 -3,-0.1 2,-0.3 0.580 73.7 32.1 -99.1 -12.8 1.6 -7.2 -25.3 71 82 A T B S-F 77 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.984 74.6-135.5-139.9 147.7 -1.7 -8.0 -23.4 72 83 A D > - 0 0 31 4,-1.9 3,-1.9 -2,-0.3 -2,-0.0 -0.308 45.1 -83.9 -91.1-177.6 -3.4 -11.2 -22.7 73 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.591 128.7 58.1 -61.3 -12.3 -7.2 -12.0 -23.1 74 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.343 118.9-108.6 -99.0 -0.2 -7.8 -10.4 -19.6 75 86 A G S < S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -47,-0.2 0.597 71.0 144.9 80.5 12.1 -6.3 -7.1 -20.6 76 87 A R - 0 0 68 -49,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.637 54.2-115.2 -82.7 140.4 -3.2 -7.6 -18.5 77 88 A G E -dF 29 71A 0 -49,-2.4 -47,-3.5 -2,-0.3 2,-0.6 -0.483 22.7-143.1 -69.1 137.1 0.1 -6.3 -19.8 78 89 A L E +d 30 0A 27 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.945 44.2 136.0-104.0 111.5 2.6 -9.1 -20.5 79 90 A A E -dE 31 65A 0 -49,-1.5 -47,-2.3 -2,-0.6 2,-0.5 -0.926 59.3-112.3-149.5 163.8 6.1 -7.9 -19.5 80 91 A Y E - E 0 64A 0 -16,-2.4 -16,-2.3 -2,-0.3 2,-0.4 -0.906 40.8-148.6 -93.7 135.0 9.4 -8.5 -17.8 81 92 A I E - E 0 63A 3 -2,-0.5 7,-2.9 -18,-0.2 8,-0.5 -0.897 9.7-160.4-112.8 135.5 9.5 -6.2 -14.8 82 93 A Y E -GE 87 62A 16 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.5 -0.941 8.4-166.5-117.7 141.6 12.8 -4.7 -13.6 83 94 A A E > S-GE 86 61A 5 3,-2.6 3,-1.9 -2,-0.4 -22,-0.2 -0.972 84.1 -21.8-128.4 110.6 13.5 -3.3 -10.1 84 95 A D T 3 S- 0 0 80 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.901 129.2 -52.2 49.1 41.6 16.7 -1.3 -10.0 85 96 A G T 3 S+ 0 0 30 -25,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.393 114.1 117.1 84.0 -4.6 17.8 -3.2 -13.1 86 97 A K E < -G 83 0A 146 -3,-1.9 -3,-2.6 4,-0.0 2,-0.5 -0.832 67.4-123.6 -97.6 135.0 17.2 -6.7 -11.6 87 98 A M E > -G 82 0A 5 -2,-0.4 4,-2.4 -5,-0.2 -5,-0.3 -0.614 12.8-157.3 -82.5 126.3 14.5 -8.7 -13.4 88 99 A V H > S+ 0 0 0 -7,-2.9 4,-2.7 -2,-0.5 5,-0.3 0.907 93.0 56.0 -64.5 -42.4 11.7 -9.8 -11.1 89 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.934 112.1 43.4 -55.5 -45.4 10.7 -12.7 -13.3 90 101 A E H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.3 53.1 -67.2 -45.6 14.3 -14.1 -13.2 91 102 A A H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.918 108.2 50.7 -62.6 -41.2 14.7 -13.5 -9.4 92 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 6,-0.9 0.920 113.1 45.5 -59.2 -47.4 11.5 -15.4 -8.6 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 -2,-0.2 0.940 109.9 53.7 -62.3 -44.9 12.6 -18.4 -10.7 94 105 A R H 3<5S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.3 48.8 -57.4 -36.1 16.1 -18.3 -9.3 95 106 A Q T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.387 115.6-114.2 -87.1 4.8 14.7 -18.5 -5.7 96 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 2,-0.2 -3,-0.2 0.691 86.3 116.9 71.0 19.3 12.3 -21.4 -6.6 97 108 A L S - 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0 0 45 -5,-2.2 3,-2.6 3,-0.1 -1,-0.2 -0.631 46.1 -53.7 -86.7 131.7 14.6 -24.4 -3.2 127 138 A N G > S+ 0 0 53 -2,-0.3 3,-2.2 1,-0.3 -30,-0.2 -0.105 135.5 28.8 50.4-112.0 11.0 -23.9 -2.4 128 139 A I G 3 S+ 0 0 37 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.862 131.0 45.0 -47.3 -33.3 8.8 -25.3 -5.3 129 140 A W G < 0 0 60 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.3 0.358 360.0 360.0 -94.5 7.8 11.7 -27.8 -5.9 130 141 A S < 0 0 99 -3,-2.2 -4,-0.1 -4,-0.2 -5,-0.1 -0.248 360.0 360.0 -80.7 360.0 12.3 -28.8 -2.2