==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 01-NOV-12 4HTU . COMPND 2 MOLECULE: RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.PATRA,M.EGLI . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 2 0.7 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 0 0 0 0 2 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 . 0 0 0 0 0 2 0 1 1 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 1 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 61 A E 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.4 -4.6 14.8 15.2 2 62 A E - 0 0 168 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.755 360.0 -89.4-118.5 162.9 -4.1 18.3 13.8 3 63 A I - 0 0 37 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 -0.451 26.4-145.0 -69.4 135.5 -1.6 20.0 11.5 4 64 A I - 0 0 79 -2,-0.2 24,-0.1 1,-0.2 -1,-0.1 -0.897 14.0-170.1 -96.9 104.2 1.4 21.6 13.2 5 65 A W S S+ 0 0 141 -2,-0.8 2,-1.9 1,-0.2 24,-0.7 0.826 74.4 73.5 -68.1 -31.4 1.9 24.7 10.9 6 66 A E S S+ 0 0 91 22,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.587 86.8 94.2 -82.1 79.3 5.3 25.5 12.5 7 67 A S S S- 0 0 1 -2,-1.9 21,-2.2 60,-0.2 22,-0.4 -0.914 74.0-106.5-157.3 175.3 7.0 22.6 10.7 8 68 A L E -Ab 27 69A 1 60,-2.6 62,-3.0 -2,-0.3 2,-0.4 -0.946 27.0-159.3-118.2 137.9 9.0 21.6 7.7 9 69 A S E -Ab 26 70A 0 17,-2.9 17,-2.8 -2,-0.4 2,-0.3 -0.960 7.2-167.3-118.7 138.9 7.5 19.5 4.9 10 70 A V E +Ab 25 71A 0 60,-2.3 62,-0.5 -2,-0.4 2,-0.3 -0.884 11.4 162.4-121.8 156.5 9.5 17.4 2.4 11 71 A D E -A 24 0A 11 13,-1.6 13,-1.9 -2,-0.3 2,-0.3 -0.977 28.1-119.9-164.7 163.4 8.6 15.7 -0.9 12 72 A V E -A 23 0A 9 -2,-0.3 2,-0.6 11,-0.2 121,-0.4 -0.807 8.4-148.8-109.8 143.6 10.2 14.2 -4.0 13 73 A G E -A 22 0A 1 9,-2.6 9,-1.8 -2,-0.3 2,-0.3 -0.975 26.8-170.2-108.7 116.9 9.8 15.1 -7.6 14 74 A S E -A 21 0A 3 -2,-0.6 235,-2.4 7,-0.2 2,-0.3 -0.741 28.5-162.3-104.5 152.7 10.3 12.0 -9.7 15 75 A Q E >S-Ac 20 249A 18 5,-1.9 5,-1.3 1,-0.6 235,-0.2 -0.766 82.9 -26.0-123.9 82.9 10.6 11.5 -13.4 16 76 A G T 5S- 0 0 7 233,-3.0 -1,-0.6 -2,-0.3 3,-0.2 0.047 83.1 -82.5 90.5 155.7 9.8 7.8 -13.4 17 77 A N T 5S+ 0 0 72 1,-0.4 2,-0.2 233,-0.3 27,-0.1 -0.888 130.3 22.5-135.3 103.9 10.2 5.2 -10.6 18 78 A P T 5S+ 0 0 74 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.598 118.2 94.1 -68.7 160.8 13.0 4.3 -10.8 19 79 A G E 5S- D 0 43A 9 24,-2.5 24,-1.7 -3,-0.2 -3,-0.2 -0.961 78.4 -19.3 175.5-165.0 14.0 7.5 -12.5 20 80 A I E < -A 15 0A 30 -5,-1.3 -5,-1.9 -2,-0.3 2,-0.4 -0.426 62.2-158.8 -66.1 137.4 15.4 11.0 -11.9 21 81 A V E +AD 14 40A 0 19,-2.2 19,-3.1 -7,-0.2 2,-0.3 -0.980 20.6 160.2-123.7 128.2 15.0 12.0 -8.3 22 82 A E E -A 13 0A 38 -9,-1.8 -9,-2.6 -2,-0.4 2,-0.3 -0.932 11.6-176.8-132.9 164.6 14.9 15.5 -6.8 23 83 A Y E -AD 12 37A 0 14,-1.1 14,-2.7 -2,-0.3 2,-0.3 -0.986 6.9-169.0-151.5 166.9 13.6 16.7 -3.5 24 84 A K E -AD 11 36A 25 -13,-1.9 -13,-1.6 -2,-0.3 2,-0.4 -0.987 16.4-137.6-153.8 161.2 13.0 19.8 -1.4 25 85 A G E -AD 10 35A 0 10,-2.4 9,-2.8 -2,-0.3 10,-1.5 -0.984 27.0-178.5-121.5 133.0 12.1 20.9 2.1 26 86 A V E -AD 9 33A 3 -17,-2.8 -17,-2.9 -2,-0.4 2,-0.4 -0.915 37.8 -95.5-131.7 155.7 9.7 23.8 2.6 27 87 A D E > -A 8 0A 18 5,-2.4 4,-2.5 -2,-0.3 -19,-0.2 -0.588 33.7-142.6 -67.6 123.3 8.2 25.8 5.5 28 88 A T T 4 S+ 0 0 2 -21,-2.2 -1,-0.2 -2,-0.4 -22,-0.1 0.845 96.5 39.3 -60.9 -34.8 4.7 24.2 6.0 29 89 A K T 4 S+ 0 0 102 -24,-0.7 -1,-0.2 -22,-0.4 -23,-0.1 0.957 129.8 23.1 -78.8 -54.3 3.1 27.5 6.7 30 90 A T T 4 S- 0 0 84 -25,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.692 89.8-128.8 -95.2 -22.6 4.8 29.9 4.3 31 91 A G < + 0 0 25 -4,-2.5 -3,-0.1 1,-0.3 -1,-0.0 0.432 49.2 159.7 86.0 -1.7 6.0 27.6 1.5 32 92 A E - 0 0 119 -6,-0.1 -5,-2.4 1,-0.1 2,-0.6 -0.317 44.6-123.2 -55.1 126.8 9.5 29.1 1.7 33 93 A V E +D 26 0A 67 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.677 33.6 176.6 -76.7 120.9 12.0 26.7 0.1 34 94 A L E - 0 0 38 -9,-2.8 2,-0.3 -2,-0.6 -8,-0.2 0.772 63.8 -1.9 -98.6 -35.1 14.6 25.9 2.8 35 95 A F E -D 25 0A 16 -10,-1.5 -10,-2.4 2,-0.0 -1,-0.4 -0.982 59.1-170.7-152.8 156.2 16.6 23.3 1.0 36 96 A E E -D 24 0A 121 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.991 14.8-146.0-143.8 146.8 16.7 21.5 -2.4 37 97 A R E -D 23 0A 84 -14,-2.7 -14,-1.1 -2,-0.3 3,-0.1 -0.981 28.0-126.8-111.8 125.1 18.6 18.6 -3.9 38 98 A E E - 0 0 168 -2,-0.5 -17,-0.1 1,-0.2 -15,-0.0 -0.255 51.1 -61.8 -63.7 158.4 19.3 18.9 -7.6 39 99 A P E - 0 0 73 0, 0.0 -17,-0.2 0, 0.0 -1,-0.2 -0.113 45.0-151.4 -50.5 126.7 18.2 16.0 -9.9 40 100 A I E -D 21 0A 4 -19,-3.1 -19,-2.2 -3,-0.1 3,-0.1 -0.883 21.8-127.8 -97.7 128.0 19.9 12.7 -9.2 41 101 A P E S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.785 82.8 6.1 -60.1 -34.5 20.1 10.8 -12.4 42 102 A I E S+ 0 0 15 52,-0.2 56,-0.4 -22,-0.1 2,-0.3 -0.971 76.2 116.5-147.9 137.0 18.5 7.5 -11.2 43 103 A G E -D 19 0A 0 -24,-1.7 -24,-2.5 -2,-0.3 2,-0.3 -0.941 55.8 -89.8-171.4 176.1 16.9 6.4 -7.9 44 104 A T > - 0 0 16 -2,-0.3 4,-2.2 -26,-0.2 5,-0.2 -0.686 32.7-117.8 -96.1 158.7 13.6 5.2 -6.5 45 105 A N H > S+ 0 0 21 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.908 116.8 54.9 -59.7 -40.3 11.0 7.5 -5.1 46 106 A N H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 106.0 50.5 -58.6 -46.8 11.4 5.8 -1.8 47 107 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 110.8 50.1 -57.9 -43.2 15.1 6.5 -1.7 48 108 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.888 109.1 50.5 -62.7 -39.9 14.4 10.1 -2.5 49 109 A E H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.872 110.7 50.1 -67.0 -36.2 11.9 10.4 0.3 50 110 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 111.7 47.6 -63.5 -50.0 14.4 8.9 2.7 51 111 A L H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.876 109.1 55.3 -59.6 -39.1 17.1 11.3 1.6 52 112 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.8 46.2 -64.5 -42.6 14.7 14.2 2.0 53 113 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.945 114.3 47.3 -63.6 -47.2 13.8 13.4 5.6 54 114 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.921 110.4 52.1 -63.9 -39.9 17.5 12.9 6.6 55 115 A H H X S+ 0 0 47 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.944 109.9 50.9 -58.7 -44.0 18.4 16.2 4.8 56 116 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.894 108.4 51.0 -58.0 -43.1 15.7 17.8 6.9 57 117 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 112.4 46.2 -62.9 -42.0 17.0 16.4 10.1 58 118 A R H X S+ 0 0 117 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.921 113.0 49.9 -68.1 -40.9 20.5 17.6 9.3 59 119 A Y H X S+ 0 0 45 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.927 113.8 44.6 -60.1 -47.8 19.1 21.1 8.4 60 120 A L H <>S+ 0 0 3 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.875 112.1 51.8 -69.0 -37.7 17.1 21.4 11.5 61 121 A K H ><5S+ 0 0 90 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.915 107.4 53.2 -63.2 -42.8 19.9 20.2 13.8 62 122 A E H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.867 114.4 42.1 -59.3 -37.2 22.3 22.7 12.3 63 123 A R T 3<5S- 0 0 157 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.418 109.0-125.2 -88.7 -1.2 19.8 25.5 13.1 64 124 A N T < 5 + 0 0 139 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.849 54.1 162.2 54.3 38.4 19.0 24.0 16.5 65 125 A S < - 0 0 33 -5,-2.8 -1,-0.2 -6,-0.2 50,-0.2 -0.663 38.2-159.7 -89.7 143.0 15.3 24.0 15.5 66 126 A R + 0 0 181 -2,-0.3 -1,-0.1 50,-0.1 -5,-0.1 0.319 50.0 128.0-100.9 6.4 12.7 22.0 17.3 67 127 A K - 0 0 59 49,-0.1 -60,-0.2 -7,-0.1 2,-0.1 -0.306 58.5-120.9 -59.0 142.0 10.2 22.0 14.4 68 128 A P - 0 0 12 0, 0.0 -60,-2.6 0, 0.0 2,-0.4 -0.371 18.5-126.1 -79.1 166.3 8.8 18.7 13.3 69 129 A I E -be 8 118A 0 48,-2.6 50,-3.3 -62,-0.2 2,-0.4 -0.949 15.3-152.1-111.7 134.1 9.2 17.3 9.8 70 130 A Y E +be 9 119A 0 -62,-3.0 -60,-2.3 -2,-0.4 2,-0.3 -0.910 17.5 173.2-102.7 133.3 6.2 16.1 7.7 71 131 A S E -be 10 120A 0 48,-2.2 50,-2.7 -2,-0.4 -60,-0.1 -0.988 29.0-151.1-130.8 144.6 6.6 13.4 5.1 72 132 A N S S+ 0 0 44 -62,-0.5 2,-0.8 -2,-0.3 3,-0.1 0.331 74.9 94.9 -93.2 10.8 3.9 11.7 3.1 73 133 A S > - 0 0 13 1,-0.2 4,-2.4 -24,-0.1 5,-0.2 -0.823 48.1-177.4-108.1 99.1 6.0 8.6 2.8 74 134 A Q H > S+ 0 0 112 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.886 88.4 54.6 -58.5 -35.7 5.2 5.9 5.4 75 135 A T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 109.3 44.9 -63.5 -49.1 8.0 3.8 3.9 76 136 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 110.5 54.5 -65.9 -36.3 10.6 6.5 4.2 77 137 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.942 110.1 47.7 -60.0 -45.5 9.5 7.4 7.8 78 138 A K H X S+ 0 0 117 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.920 110.1 52.0 -62.0 -43.6 10.0 3.7 8.7 79 139 A W H X>S+ 0 0 19 -4,-2.4 5,-2.2 2,-0.2 4,-0.5 0.898 111.2 47.3 -60.5 -43.0 13.4 3.6 7.1 80 140 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.948 113.4 47.0 -63.9 -45.8 14.6 6.7 9.0 81 141 A K H 3<5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.863 115.4 46.3 -66.8 -32.4 13.3 5.4 12.3 82 142 A D H 3<5S- 0 0 86 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.560 104.5-133.5 -77.2 -11.1 14.9 2.0 11.6 83 143 A K T <<5S+ 0 0 72 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.838 76.6 100.7 53.2 37.5 18.1 3.7 10.6 84 144 A K < - 0 0 106 -5,-2.2 2,-1.0 -6,-0.2 -2,-0.2 -0.891 65.7-147.4-155.4 115.4 18.0 1.4 7.6 85 145 A A - 0 0 1 -2,-0.3 2,-2.0 17,-0.1 -9,-0.1 -0.751 13.2-161.2 -87.1 101.7 16.9 2.1 4.0 86 146 A K + 0 0 164 -2,-1.0 2,-0.3 2,-0.0 -1,-0.1 -0.334 31.2 155.5 -84.6 57.0 15.5 -1.2 2.8 87 147 A S - 0 0 24 -2,-2.0 -2,-0.0 1,-0.1 0, 0.0 -0.617 37.5-158.1 -86.4 145.5 15.7 -0.4 -0.9 88 148 A T + 0 0 142 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.320 46.3 134.0-100.9 2.1 16.0 -3.2 -3.5 89 149 A L - 0 0 22 1,-0.1 -2,-0.1 6,-0.0 -45,-0.0 -0.349 64.0-108.6 -60.5 130.2 17.5 -0.9 -6.2 90 150 A V - 0 0 86 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.207 25.0-127.5 -56.6 145.8 20.4 -2.7 -7.9 91 151 A R + 0 0 141 -3,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.903 54.3 128.7 -98.3 108.4 23.9 -1.3 -7.1 92 152 A N S S- 0 0 67 -2,-0.8 4,-0.4 1,-0.0 3,-0.1 -0.815 75.3 -80.8-140.8-173.5 25.7 -0.5 -10.3 93 153 A E S > S+ 0 0 186 -2,-0.2 3,-1.0 1,-0.2 4,-0.4 0.894 127.9 54.5 -59.0 -38.9 27.6 2.4 -11.9 94 154 A E T 3 S+ 0 0 102 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.896 115.1 37.3 -61.9 -41.5 24.3 3.9 -12.9 95 155 A T T 3> S+ 0 0 2 1,-0.2 4,-2.1 -3,-0.1 -1,-0.3 0.275 86.1 107.4 -96.9 10.8 22.9 3.9 -9.4 96 156 A A H <> S+ 0 0 55 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.879 76.6 49.7 -59.5 -41.7 26.1 4.8 -7.7 97 157 A L H > S+ 0 0 82 -3,-0.4 4,-2.4 -4,-0.4 5,-0.2 0.952 111.2 46.4 -66.4 -48.3 25.2 8.3 -6.8 98 158 A I H > S+ 0 0 1 -56,-0.4 4,-2.5 -4,-0.2 -1,-0.2 0.917 115.1 48.0 -63.5 -37.8 21.8 7.6 -5.2 99 159 A W H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.866 108.2 54.6 -71.2 -34.4 23.3 4.7 -3.2 100 160 A K H X S+ 0 0 108 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.931 111.5 45.4 -59.3 -45.5 26.2 6.9 -2.1 101 161 A L H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 114.3 47.6 -66.6 -41.4 23.7 9.4 -0.7 102 162 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 111.8 49.8 -65.2 -45.2 21.6 6.7 0.9 103 163 A D H X S+ 0 0 58 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.906 112.9 47.7 -59.2 -41.7 24.6 5.1 2.5 104 164 A E H X S+ 0 0 84 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.856 109.7 52.3 -68.5 -36.0 25.8 8.5 3.8 105 165 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 110.6 48.1 -65.4 -42.6 22.3 9.3 5.2 106 166 A E H X S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.906 110.0 52.5 -59.2 -43.7 22.3 6.0 7.0 107 167 A E H X S+ 0 0 113 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.915 108.8 50.4 -61.6 -40.4 25.8 6.7 8.3 108 168 A W H >X S+ 0 0 15 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.936 110.3 49.1 -61.3 -47.1 24.5 10.1 9.6 109 169 A L H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.890 110.3 51.3 -62.1 -36.8 21.6 8.5 11.4 110 170 A N H 3< S+ 0 0 94 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.621 116.5 40.0 -77.7 -9.1 23.8 5.9 13.0 111 171 A T H << S+ 0 0 76 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.239 111.0 56.5-123.3 9.5 26.2 8.5 14.3 112 172 A H << - 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