==== 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/DNA 31-OCT-12 4HT4 . COMPND 2 MOLECULE: NICKING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.S.EDWARDS . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 1 2 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 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 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 2 A A 0 0 50 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.000 360.0 360.0 360.0 19.0 0.4 22.4 153.1 2 3 A X - 0 0 126 87,-0.1 2,-0.5 2,-0.1 187,-0.1 -0.956 360.0-123.0-165.1 144.4 -2.9 21.5 151.4 3 4 A Y + 0 0 37 -2,-0.3 2,-0.3 187,-0.1 87,-0.1 -0.794 33.9 157.3 -97.3 130.4 -4.3 18.9 149.1 4 5 A H + 0 0 72 -2,-0.5 85,-2.3 85,-0.3 2,-0.4 -0.873 4.6 166.8-151.4 119.4 -6.0 19.7 145.8 5 6 A F E -A 88 0A 14 -2,-0.3 2,-0.4 83,-0.2 83,-0.2 -0.970 7.6-177.7-135.0 118.8 -6.4 17.4 142.8 6 7 A Q E -A 87 0A 95 81,-2.4 81,-1.3 -2,-0.4 2,-0.5 -0.963 6.5-169.8-120.8 132.5 -8.6 18.1 139.8 7 8 A N E +A 86 0A 44 -2,-0.4 2,-0.3 79,-0.2 79,-0.2 -0.968 22.3 155.4-122.0 115.8 -9.2 15.8 136.9 8 9 A K E -A 85 0A 33 77,-2.3 77,-2.4 -2,-0.5 2,-0.3 -0.950 35.7-120.8-141.3 158.0 -11.1 17.3 133.9 9 10 A F E -A 84 0A 82 -2,-0.3 2,-0.8 75,-0.2 75,-0.2 -0.746 14.5-139.7 -98.5 146.5 -11.6 16.8 130.1 10 11 A V E -A 83 0A 1 73,-3.3 72,-2.2 -2,-0.3 73,-1.2 -0.885 33.4-177.7-104.2 102.1 -10.9 19.5 127.5 11 12 A S E > > -A 81 0A 13 -2,-0.8 5,-1.5 70,-0.3 3,-1.0 -0.818 35.8-149.9-111.4 140.5 -13.8 19.1 125.0 12 13 A K G > 5S+ 0 0 62 68,-2.0 3,-1.5 -2,-0.4 68,-0.2 0.622 94.5 77.1 -76.3 -13.9 -14.5 20.9 121.7 13 14 A A G 3 5S+ 0 0 62 66,-0.4 -1,-0.2 1,-0.3 66,-0.1 0.662 98.7 44.5 -69.5 -15.8 -18.2 20.4 122.5 14 15 A N G < 5S- 0 0 130 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.048 126.9 -98.2-115.0 22.1 -17.8 23.3 124.9 15 16 A G T < 5S+ 0 0 72 -3,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.673 76.6 143.6 74.6 19.1 -15.8 25.5 122.7 16 17 A Q < - 0 0 65 -5,-1.5 2,-0.3 4,-0.0 -1,-0.2 -0.434 31.7-158.7 -89.1 164.8 -12.4 24.5 124.2 17 18 A S > - 0 0 18 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.999 24.2-145.1-145.9 143.3 -9.1 24.1 122.4 18 19 A A H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.832 107.9 50.2 -72.9 -34.0 -5.8 22.3 123.0 19 20 A T H > S+ 0 0 0 49,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.843 111.9 48.0 -72.3 -34.8 -3.9 25.1 121.3 20 21 A A H > S+ 0 0 19 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.923 114.4 45.0 -70.0 -46.3 -5.7 27.7 123.4 21 22 A K H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.903 112.4 50.7 -64.6 -43.5 -5.2 25.9 126.7 22 23 A S H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.832 115.6 43.6 -64.8 -32.5 -1.5 25.2 125.9 23 24 A A H X>S+ 0 0 0 -4,-1.3 5,-1.4 2,-0.2 4,-0.9 0.869 113.9 49.7 -78.4 -39.8 -1.0 28.9 125.1 24 25 A F H <5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.864 117.4 40.4 -66.7 -37.4 -3.0 30.1 128.1 25 26 A N H <5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 121.1 40.4 -82.8 -33.9 -1.1 27.9 130.5 26 27 A S H <5S- 0 0 10 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.474 102.2-128.8 -93.4 -3.5 2.4 28.3 129.0 27 28 A A T <5 + 0 0 21 -4,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.930 66.3 122.7 53.7 51.4 2.0 32.0 128.4 28 29 A S < - 0 0 26 -5,-1.4 13,-1.8 -6,-0.1 2,-0.6 -0.809 67.8-103.4-135.1 173.3 3.1 31.6 124.8 29 30 A R E +E 40 0B 137 -2,-0.2 2,-0.4 11,-0.2 11,-0.2 -0.904 39.6 176.5-106.1 116.0 1.9 32.2 121.2 30 31 A I E -E 39 0B 13 9,-2.3 9,-2.6 -2,-0.6 2,-0.4 -0.972 22.3-134.5-125.5 131.8 0.8 29.1 119.4 31 32 A K E -E 38 0B 7 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.689 7.0-150.3 -88.4 129.7 -0.7 28.9 115.9 32 33 A D E >> -E 37 0B 6 5,-1.9 5,-1.0 -2,-0.4 4,-0.5 -0.879 10.2-168.1 -93.8 125.3 -3.7 26.8 115.1 33 34 A F T 45S+ 0 0 126 -2,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.900 79.7 55.2 -84.1 -43.5 -3.5 25.6 111.5 34 35 A K T 45S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.658 123.7 29.2 -67.7 -15.4 -7.0 24.2 110.8 35 36 A E T 45S- 0 0 115 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.447 99.6-134.6-118.7 -8.0 -8.4 27.6 111.9 36 37 A N T <5 + 0 0 140 -4,-0.5 2,-0.2 1,-0.2 -3,-0.2 0.851 59.9 129.7 52.4 41.2 -5.5 29.8 110.8 37 38 A E E < -E 32 0B 101 -5,-1.0 -5,-1.9 -7,-0.0 2,-0.5 -0.689 57.9-125.1-111.2 171.1 -5.6 31.8 114.1 38 39 A F E -E 31 0B 103 -2,-0.2 2,-1.5 -7,-0.2 -7,-0.2 -0.940 11.5-151.1-120.5 108.9 -2.9 32.7 116.5 39 40 A K E +E 30 0B 29 -9,-2.6 -9,-2.3 -2,-0.5 2,-0.8 -0.619 25.6 179.9 -76.7 90.9 -3.5 31.7 120.1 40 41 A D E +E 29 0B 76 -2,-1.5 -11,-0.2 -11,-0.2 3,-0.1 -0.816 26.2 143.5-104.6 99.8 -1.5 34.5 121.8 41 42 A Y > + 0 0 78 -13,-1.8 3,-1.6 -2,-0.8 -12,-0.1 -0.110 28.9 125.4-119.1 33.0 -1.6 34.4 125.6 42 43 A S T 3 + 0 0 69 1,-0.3 -1,-0.1 -15,-0.1 -13,-0.1 0.594 64.3 68.9 -69.5 -10.6 2.0 35.6 126.0 43 44 A N T 3 S+ 0 0 129 -3,-0.1 -1,-0.3 -15,-0.1 2,-0.1 0.262 87.4 89.8 -89.9 11.2 0.8 38.4 128.2 44 45 A K S < S- 0 0 102 -3,-1.6 2,-0.4 1,-0.0 -19,-0.1 -0.371 83.6 -95.7 -97.2-179.4 -0.1 35.8 130.9 45 46 A Q + 0 0 74 -21,-0.1 2,-0.3 -2,-0.1 -18,-0.2 -0.814 44.1 154.4-106.3 141.0 2.0 34.4 133.7 46 47 A C - 0 0 36 -2,-0.4 76,-0.2 -20,-0.1 3,-0.1 -0.829 18.1-176.1-164.0 122.0 4.0 31.2 133.7 47 48 A D S S+ 0 0 84 74,-2.0 2,-0.3 1,-0.3 75,-0.1 0.670 76.0 18.0 -98.1 -20.3 7.1 30.4 135.8 48 49 A Y E +B 121 0A 54 73,-0.9 73,-2.5 2,-0.0 2,-0.4 -0.954 60.0 178.7-154.6 134.8 7.9 26.9 134.4 49 50 A S E +B 120 0A 43 -2,-0.3 2,-0.3 71,-0.2 71,-0.2 -1.000 11.5 152.8-138.0 137.8 7.0 25.0 131.3 50 51 A E E -B 119 0A 42 69,-2.4 69,-2.6 -2,-0.4 2,-0.5 -0.970 31.5-140.8-160.6 145.2 8.0 21.6 130.0 51 52 A I E -B 118 0A 5 -2,-0.3 2,-0.5 67,-0.2 67,-0.2 -0.956 20.8-159.1-110.9 121.3 6.7 18.8 127.8 52 53 A L E -B 117 0A 7 65,-2.7 65,-2.3 -2,-0.5 -2,-0.0 -0.856 7.6-160.0-105.9 131.2 7.4 15.3 129.0 53 54 A L - 0 0 33 -2,-0.5 63,-0.1 63,-0.2 62,-0.1 -0.726 15.5-118.0-110.0 154.5 7.4 12.3 126.6 54 55 A P > - 0 0 25 0, 0.0 3,-0.7 0, 0.0 58,-0.1 -0.096 45.0 -87.9 -73.3-175.7 7.0 8.5 127.1 55 56 A N T 3 S+ 0 0 108 56,-0.3 2,-1.1 1,-0.3 57,-0.1 0.958 121.7 43.2 -63.1 -57.4 9.7 6.0 126.1 56 57 A N T 3 S+ 0 0 82 84,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.317 89.9 121.3 -89.5 52.8 8.9 5.4 122.4 57 58 A A < - 0 0 20 -2,-1.1 2,-0.1 -3,-0.7 -4,-0.1 -0.917 60.1-122.1-118.9 144.1 8.2 9.1 121.5 58 59 A D > - 0 0 65 -2,-0.4 3,-1.4 1,-0.1 4,-0.1 -0.479 24.4-117.7 -81.1 153.3 9.9 11.3 118.9 59 60 A D G > S+ 0 0 130 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.586 104.3 81.9 -66.7 -9.9 11.6 14.5 119.9 60 61 A K G > S+ 0 0 79 1,-0.2 3,-1.7 2,-0.1 -1,-0.3 0.856 80.1 63.8 -61.2 -36.7 9.1 16.3 117.7 61 62 A F G < S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.547 82.0 77.3 -73.0 -6.7 6.5 16.3 120.4 62 63 A K G < S+ 0 0 105 -3,-1.2 2,-0.6 -4,-0.1 -1,-0.3 0.501 77.6 88.9 -79.4 -3.3 8.6 18.4 122.7 63 64 A D S <> S- 0 0 81 -3,-1.7 4,-2.0 1,-0.1 -3,-0.0 -0.870 72.1-152.6 -93.2 122.6 7.5 21.3 120.5 64 65 A R H > S+ 0 0 46 -2,-0.6 4,-1.4 1,-0.2 5,-0.2 0.820 91.4 51.7 -66.9 -32.2 4.2 22.7 121.9 65 66 A E H > S+ 0 0 60 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.919 112.1 43.6 -72.6 -45.2 2.9 24.0 118.6 66 67 A Y H > S+ 0 0 67 -6,-0.2 4,-2.2 1,-0.2 5,-0.2 0.900 110.5 58.0 -65.3 -42.4 3.4 20.7 116.7 67 68 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 -7,-0.2 -2,-0.2 0.940 108.6 39.2 -55.9 -58.6 2.0 18.6 119.5 68 69 A W H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.651 115.5 52.7 -76.9 -15.6 -1.5 20.1 119.9 69 70 A N H X S+ 0 0 17 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.822 109.5 49.6 -79.3 -36.2 -2.0 20.5 116.1 70 71 A K H X S+ 0 0 37 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.842 113.4 47.7 -66.4 -34.3 -1.1 16.9 115.7 71 72 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 3,-0.5 0.934 109.1 51.2 -70.7 -48.3 -3.6 16.2 118.4 72 73 A H H < S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.811 104.7 60.8 -57.4 -31.1 -6.3 18.4 116.8 73 74 A D H < S+ 0 0 105 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.905 109.0 39.8 -62.3 -44.1 -5.6 16.5 113.6 74 75 A V H < S+ 0 0 42 -4,-1.1 2,-1.0 -3,-0.5 -2,-0.2 0.811 109.2 63.1 -76.1 -31.0 -6.7 13.2 115.2 75 76 A E < + 0 0 4 -4,-2.3 2,-2.1 1,-0.1 -1,-0.2 -0.304 66.3 154.9 -88.0 50.9 -9.5 14.9 117.1 76 77 A N + 0 0 80 -2,-1.0 2,-0.3 -3,-0.5 -1,-0.1 -0.294 36.6 101.1 -79.9 55.4 -11.2 15.8 113.8 77 78 A R S > S- 0 0 176 -2,-2.1 3,-0.7 -5,-0.1 -65,-0.1 -0.968 75.7-127.2-136.2 154.8 -14.7 16.1 115.3 78 79 A K T 3 S+ 0 0 191 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.598 115.5 32.9 -77.1 -10.1 -16.9 19.0 116.3 79 80 A N T 3 S+ 0 0 92 -66,-0.1 -66,-0.4 -65,-0.1 -1,-0.2 0.202 88.8 140.9-125.5 12.4 -17.4 17.4 119.8 80 81 A S < - 0 0 11 -3,-0.7 -68,-2.0 -5,-0.2 2,-0.6 -0.338 52.1-131.3 -65.5 130.8 -14.0 15.7 120.1 81 82 A Q E -A 11 0A 79 -70,-0.2 -70,-0.3 1,-0.2 56,-0.1 -0.746 24.9-174.1 -78.7 119.3 -12.3 15.7 123.5 82 83 A V E - 0 0 0 -72,-2.2 55,-0.5 -2,-0.6 2,-0.3 0.819 53.7 -12.7 -90.1 -33.0 -8.8 16.8 122.7 83 84 A A E -AC 10 136A 0 -73,-1.2 -73,-3.3 53,-0.2 2,-0.5 -0.955 56.8-111.8-158.7 173.0 -7.0 16.5 126.0 84 85 A R E -AC 9 135A 3 51,-2.9 51,-3.3 -2,-0.3 2,-0.5 -0.978 25.6-153.8-117.3 127.3 -7.2 15.9 129.8 85 86 A E E -AC 8 134A 27 -77,-2.4 -77,-2.3 -2,-0.5 2,-0.5 -0.890 10.8-176.2-104.3 126.1 -6.2 18.7 132.2 86 87 A I E -AC 7 133A 0 47,-2.2 47,-1.3 -2,-0.5 2,-0.4 -0.967 3.5-171.5-119.2 115.6 -5.0 17.8 135.7 87 88 A I E -AC 6 132A 29 -81,-1.3 -81,-2.4 -2,-0.5 2,-0.4 -0.875 5.0-169.8-106.0 140.5 -4.3 20.7 138.1 88 89 A I E -AC 5 131A 0 43,-1.6 43,-1.9 -2,-0.4 2,-0.4 -0.982 23.1-120.1-131.8 141.2 -2.6 20.1 141.4 89 90 A G E - C 0 130A 4 -85,-2.3 -85,-0.3 -2,-0.4 41,-0.2 -0.652 27.5-151.0 -79.4 128.1 -2.1 22.2 144.5 90 91 A L - 0 0 8 39,-3.3 2,-0.2 -2,-0.4 9,-0.1 -0.818 26.4-101.7-101.2 140.9 1.6 22.8 145.3 91 92 A P > - 0 0 1 0, 0.0 3,-1.4 0, 0.0 37,-0.1 -0.425 25.5-148.6 -61.3 122.7 2.8 23.4 148.9 92 93 A N T 3 S+ 0 0 79 1,-0.3 33,-0.1 35,-0.2 36,-0.1 0.470 91.3 68.3 -78.1 -2.1 3.5 27.1 149.3 93 94 A E T 3 S+ 0 0 67 2,-0.1 -1,-0.3 32,-0.0 2,-0.2 0.574 83.4 96.8 -87.9 -11.1 6.2 26.6 151.9 94 95 A F S < S- 0 0 10 -3,-1.4 31,-0.3 1,-0.1 86,-0.0 -0.497 78.3-122.0 -76.3 145.5 8.4 25.1 149.1 95 96 A D >> - 0 0 87 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.527 33.1-105.4 -77.7 155.2 10.9 27.1 147.2 96 97 A P H 3> S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.872 118.6 55.3 -49.4 -46.1 10.4 27.2 143.4 97 98 A N H 3> S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.864 113.9 39.3 -59.2 -40.2 13.3 24.8 142.7 98 99 A S H <> S+ 0 0 11 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.768 112.1 57.9 -80.7 -27.4 11.9 22.1 145.0 99 100 A N H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.813 106.1 50.8 -69.2 -31.1 8.3 22.9 143.8 100 101 A I H X S+ 0 0 30 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.948 108.2 49.3 -69.9 -50.7 9.4 22.2 140.2 101 102 A E H X S+ 0 0 99 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.822 110.5 53.0 -60.4 -33.1 11.0 18.8 141.0 102 103 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.957 114.3 39.4 -65.7 -52.4 7.9 17.8 142.9 103 104 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.817 113.8 57.0 -67.8 -31.6 5.5 18.6 140.0 104 105 A K H X S+ 0 0 44 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.883 105.3 50.6 -66.7 -39.0 8.1 17.2 137.5 105 106 A E H X S+ 0 0 65 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.921 110.3 46.9 -67.5 -45.7 8.1 13.8 139.2 106 107 A F H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.839 110.9 53.7 -65.6 -33.4 4.4 13.3 139.3 107 108 A A H >X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-0.9 0.856 105.4 53.4 -68.1 -35.7 4.1 14.3 135.6 108 109 A E H 3< S+ 0 0 84 -4,-1.6 4,-0.5 1,-0.3 -1,-0.2 0.717 99.8 62.1 -72.3 -21.4 6.7 11.7 134.7 109 110 A S T 3< S+ 0 0 27 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.644 106.3 47.1 -76.2 -15.0 4.6 9.1 136.4 110 111 A L T X4>S+ 0 0 0 -3,-0.9 5,-2.0 -4,-0.4 3,-1.5 0.803 107.8 52.6 -90.8 -37.4 2.0 10.0 133.9 111 112 A S T 3<5S+ 0 0 7 -4,-1.6 -56,-0.3 3,-0.3 3,-0.3 0.583 99.9 67.0 -73.6 -9.3 4.3 9.8 130.9 112 113 A N T 3 5S+ 0 0 137 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.415 100.9 47.3 -86.2 0.5 5.3 6.4 132.1 113 114 A E T < 5S- 0 0 38 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.618 133.5-107.4-106.0 -14.5 1.8 5.1 131.3 114 115 A G T 5S+ 0 0 15 -3,-0.3 26,-0.3 -4,-0.3 -3,-0.3 0.096 73.1 133.5-136.0 102.9 2.5 6.6 128.8 115 116 A X < - 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