==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-APR-05 1ZBF . COMPND 2 MOLECULE: RIBONUCLEASE H-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR M.NOWOTNY,S.A.GAIDAMAKOV,R.J.CROUCH,W.YANG . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 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 . 6 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 31.1 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 1 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 62 A E 0 0 130 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.2 -14.2 10.9 19.8 2 63 A I - 0 0 36 1,-0.0 2,-0.9 118,-0.0 3,-0.1 -0.571 360.0-146.3 -80.0 135.1 -13.5 12.9 22.9 3 64 A I - 0 0 78 -2,-0.3 24,-0.1 1,-0.2 -1,-0.0 -0.869 14.2-171.1-100.6 101.3 -10.0 14.3 23.4 4 65 A W S S+ 0 0 127 -2,-0.9 2,-1.8 1,-0.2 24,-0.7 0.816 73.5 72.6 -64.3 -33.0 -9.7 14.2 27.2 5 66 A E S S+ 0 0 92 22,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.642 86.1 100.4 -84.9 83.0 -6.5 16.1 27.4 6 67 A S S S- 0 0 0 -2,-1.8 21,-2.2 60,-0.2 2,-0.5 -0.927 74.2-105.1-156.1 173.4 -8.2 19.4 26.5 7 68 A L E -Ab 26 68A 2 60,-2.5 62,-2.7 -2,-0.3 2,-0.5 -0.950 27.9-161.0-112.3 126.8 -9.6 22.6 27.9 8 69 A S E -Ab 25 69A 0 17,-2.9 17,-3.2 -2,-0.5 2,-0.3 -0.932 9.3-170.3-110.1 132.5 -13.4 23.0 28.2 9 70 A V E +A 24 0A 0 60,-2.4 62,-0.4 -2,-0.5 2,-0.3 -0.897 8.8 167.8-120.9 150.6 -14.9 26.5 28.5 10 71 A D E -A 23 0A 9 13,-2.0 13,-2.1 -2,-0.3 2,-0.3 -0.986 24.6-125.1-158.1 159.2 -18.4 27.7 29.3 11 72 A V E -A 22 0A 11 -2,-0.3 2,-0.5 11,-0.2 121,-0.4 -0.751 6.7-155.1-108.4 148.8 -20.4 30.7 30.2 12 73 A G E +A 21 0A 13 9,-2.9 9,-2.5 -2,-0.3 2,-0.3 -0.997 27.7 172.0-120.8 123.8 -22.7 31.4 33.1 13 74 A S E -A 20 0A 48 -2,-0.5 2,-0.3 7,-0.2 7,-0.2 -0.955 21.9-165.4-138.4 157.4 -25.3 34.1 32.4 14 75 A Q - 0 0 120 5,-1.5 28,-0.2 -2,-0.3 -2,-0.0 -0.979 61.4 -8.9-135.5 146.6 -28.4 35.8 33.9 15 76 A G S S- 0 0 68 -2,-0.3 3,-0.4 3,-0.2 26,-0.0 -0.061 92.5 -71.8 60.5-166.7 -30.9 38.0 32.2 16 77 A N S S+ 0 0 137 1,-1.2 -1,-0.2 27,-0.1 2,-0.1 -0.472 131.3 8.8-165.7 85.6 -30.4 39.4 28.7 17 78 A P S S+ 0 0 52 0, 0.0 -1,-1.2 0, 0.0 2,-0.3 0.549 111.7 116.4 -80.7 164.6 -28.3 41.3 29.2 18 79 A G E - C 0 42A 11 24,-2.2 24,-2.0 -3,-0.4 -3,-0.2 -0.881 68.1 -26.1-166.2-166.7 -27.4 40.6 32.8 19 80 A I E - 0 0 72 -2,-0.3 -5,-1.5 22,-0.2 2,-0.4 -0.353 62.0-173.0 -62.4 132.0 -24.5 39.3 34.9 20 81 A V E +AC 13 39A 0 19,-2.3 19,-3.2 -7,-0.2 2,-0.3 -0.974 13.3 160.8-131.6 142.2 -22.1 37.1 32.9 21 82 A E E -A 12 0A 61 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.3 -0.912 11.6-168.8-145.5 170.6 -19.1 35.0 33.9 22 83 A Y E -A 11 0A 16 14,-0.5 14,-3.0 -2,-0.3 2,-0.3 -0.981 0.9-167.1-157.2 166.2 -17.1 32.2 32.3 23 84 A K E -AD 10 35A 23 -13,-2.1 -13,-2.0 -2,-0.3 2,-0.4 -0.979 15.3-137.4-154.4 164.1 -14.5 29.6 33.2 24 85 A G E -AD 9 34A 0 10,-2.3 9,-2.8 -2,-0.3 10,-1.5 -0.988 25.8-178.8-125.6 134.4 -12.1 27.1 31.7 25 86 A V E -AD 8 32A 2 -17,-3.2 -17,-2.9 -2,-0.4 2,-0.4 -0.916 37.6 -96.3-133.3 161.5 -11.6 23.6 33.2 26 87 A D E > -A 7 0A 17 5,-2.5 4,-2.5 -2,-0.3 -19,-0.2 -0.616 34.0-142.4 -74.1 124.0 -9.5 20.5 32.5 27 88 A T T 4 S+ 0 0 0 -21,-2.2 -1,-0.2 -2,-0.4 -22,-0.1 0.838 95.3 42.4 -58.8 -34.3 -11.8 18.2 30.6 28 89 A K T 4 S+ 0 0 114 -24,-0.7 -1,-0.2 -22,-0.4 -23,-0.1 0.937 128.1 23.2 -79.5 -49.3 -10.6 15.1 32.3 29 90 A T T 4 S- 0 0 88 -25,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.731 90.5-128.7 -92.8 -24.9 -10.3 16.2 35.9 30 91 A G < + 0 0 29 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.460 51.5 157.4 87.7 -0.4 -12.7 19.1 36.1 31 92 A E - 0 0 122 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.5 -0.369 46.2-119.2 -60.9 134.3 -10.0 21.2 37.7 32 93 A V E +D 25 0A 58 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.644 33.3 176.8 -79.0 124.3 -10.7 24.9 37.2 33 94 A L E - 0 0 45 -9,-2.8 2,-0.3 -2,-0.5 -8,-0.2 0.737 66.8 -1.3 -98.6 -30.9 -7.9 26.6 35.2 34 95 A F E -D 24 0A 19 -10,-1.5 -10,-2.3 2,-0.0 -1,-0.4 -0.976 57.7-167.6-158.0 151.3 -9.3 30.1 34.9 35 96 A E E -D 23 0A 132 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.995 18.3-134.7-142.5 136.6 -12.4 32.0 36.0 36 97 A R - 0 0 66 -14,-3.0 -14,-0.5 -2,-0.3 3,-0.1 -0.810 27.9-116.6 -94.2 130.5 -13.7 35.4 34.9 37 98 A E - 0 0 146 -2,-0.5 -17,-0.1 1,-0.1 -1,-0.0 -0.388 51.3 -82.8 -61.1 137.0 -15.0 37.8 37.6 38 99 A P - 0 0 64 0, 0.0 -17,-0.2 0, 0.0 -1,-0.1 -0.151 39.6-146.1 -48.2 129.2 -18.7 38.5 37.1 39 100 A I E -C 20 0A 2 -19,-3.2 -19,-2.3 1,-0.1 3,-0.2 -0.889 11.8-138.1 -97.7 121.2 -19.3 41.3 34.5 40 101 A P E S+ 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.857 85.2 25.3 -49.1 -44.6 -22.4 43.2 35.6 41 102 A I E S+ 0 0 39 52,-0.2 56,-0.4 -22,-0.1 2,-0.3 -0.947 82.9 106.2-132.2 117.6 -23.9 43.5 32.1 42 103 A G E -C 18 0A 2 -24,-2.0 -24,-2.2 -2,-0.4 2,-0.3 -0.951 53.9-101.9-166.9 179.0 -23.3 41.2 29.1 43 104 A T > - 0 0 14 -2,-0.3 4,-2.4 -26,-0.2 5,-0.2 -0.803 28.1-116.3-115.6 159.8 -24.8 38.5 27.0 44 105 A N H > S+ 0 0 70 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.933 115.8 49.7 -58.0 -47.4 -24.4 34.8 27.0 45 106 A N H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 110.1 50.5 -61.5 -40.9 -22.9 34.8 23.4 46 107 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 111.0 49.8 -63.7 -39.9 -20.4 37.6 24.3 47 108 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.895 109.9 49.9 -64.0 -41.0 -19.3 35.6 27.4 48 109 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 110.0 50.8 -66.3 -36.4 -18.8 32.5 25.3 49 110 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.949 112.0 47.1 -64.0 -48.0 -16.8 34.4 22.8 50 111 A L H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.879 109.2 55.7 -60.7 -37.9 -14.6 35.8 25.6 51 112 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 108.6 45.8 -64.0 -43.6 -14.2 32.4 27.2 52 113 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.943 114.6 47.1 -65.0 -46.0 -12.9 30.8 24.0 53 114 A V H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 111.0 51.8 -63.8 -38.3 -10.4 33.7 23.4 54 115 A H H X S+ 0 0 63 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.931 109.7 51.3 -62.4 -41.8 -9.3 33.6 27.0 55 116 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.899 108.1 50.9 -60.6 -39.3 -8.7 29.9 26.5 56 117 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.919 112.6 46.1 -64.7 -42.6 -6.6 30.5 23.4 57 118 A R H X S+ 0 0 104 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.893 112.0 52.0 -67.2 -37.0 -4.5 33.0 25.2 58 119 A Y H X S+ 0 0 34 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.930 113.4 42.7 -63.6 -48.5 -4.1 30.7 28.2 59 120 A L H <>S+ 0 0 4 -4,-2.5 5,-2.6 1,-0.2 4,-0.2 0.871 112.7 53.0 -68.8 -37.1 -3.0 27.8 26.1 60 121 A K H ><5S+ 0 0 86 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.923 106.9 52.0 -65.6 -41.6 -0.6 29.9 24.0 61 122 A E H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 113.4 45.0 -62.7 -31.7 1.1 31.3 27.0 62 123 A R T 3<5S- 0 0 133 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.337 110.5-122.1 -95.0 5.9 1.7 27.8 28.3 63 124 A N T < 5 + 0 0 141 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.836 56.4 161.0 57.0 37.1 2.9 26.5 24.9 64 125 A S < - 0 0 26 -5,-2.6 -1,-0.2 -6,-0.1 50,-0.2 -0.698 39.1-162.8 -94.2 142.6 0.1 23.9 25.0 65 126 A R + 0 0 194 -2,-0.3 -1,-0.1 50,-0.1 -5,-0.1 0.283 49.8 126.9-102.0 6.9 -1.2 22.0 22.0 66 127 A K - 0 0 65 -7,-0.1 -60,-0.2 49,-0.1 2,-0.1 -0.329 59.2-121.8 -64.4 144.5 -4.4 20.9 23.8 67 128 A P - 0 0 10 0, 0.0 -60,-2.5 0, 0.0 2,-0.4 -0.357 18.5-124.7 -82.5 168.7 -7.6 21.7 21.9 68 129 A I E -be 7 117A 0 48,-2.5 50,-3.3 -62,-0.2 2,-0.4 -0.941 16.2-151.7-113.9 137.3 -10.5 23.8 23.4 69 130 A Y E +be 8 118A 4 -62,-2.7 -60,-2.4 -2,-0.4 2,-0.3 -0.920 17.2 172.4-109.1 139.0 -14.1 22.5 23.6 70 131 A S E - e 0 119A 0 48,-2.1 50,-2.8 -2,-0.4 -60,-0.1 -0.976 28.9-148.8-137.4 146.3 -17.1 24.9 23.5 71 132 A N S S+ 0 0 44 -62,-0.4 2,-0.7 -2,-0.3 48,-0.1 0.277 74.7 94.7-100.2 14.3 -20.8 23.9 23.3 72 133 A S > - 0 0 14 1,-0.2 4,-2.3 -24,-0.1 5,-0.2 -0.873 48.6-175.4-112.6 104.3 -21.6 27.1 21.4 73 134 A Q H > S+ 0 0 144 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.881 89.9 54.8 -60.6 -37.9 -21.7 26.8 17.6 74 135 A T H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 109.9 43.3 -60.6 -52.5 -22.3 30.6 17.5 75 136 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 112.4 52.9 -64.2 -39.6 -19.2 31.5 19.5 76 137 A I H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.929 110.6 48.8 -60.3 -44.5 -17.0 29.1 17.7 77 138 A K H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 110.6 50.7 -60.5 -46.5 -18.1 30.7 14.4 78 139 A W H X>S+ 0 0 11 -4,-2.5 5,-2.2 1,-0.2 4,-0.6 0.897 110.9 48.4 -59.4 -43.6 -17.4 34.2 15.8 79 140 A V H ><5S+ 0 0 0 -4,-2.4 3,-0.9 2,-0.2 -1,-0.2 0.939 111.3 48.6 -65.3 -44.6 -13.9 33.2 16.9 80 141 A K H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 115.0 45.8 -64.0 -31.9 -13.0 31.6 13.6 81 142 A D H 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.519 107.1-131.7 -85.1 -7.8 -14.3 34.7 11.7 82 143 A K T <<5S+ 0 0 85 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.816 75.6 100.7 59.3 31.7 -12.4 36.9 14.2 83 144 A K < - 0 0 93 -5,-2.2 2,-0.5 -6,-0.2 -2,-0.2 -0.894 65.0-144.9-152.0 118.7 -15.6 38.9 14.7 84 145 A A - 0 0 1 -2,-0.3 2,-0.3 17,-0.1 -9,-0.1 -0.695 11.5-159.7 -82.0 124.3 -18.2 38.9 17.4 85 146 A K + 0 0 123 -2,-0.5 2,-0.1 -40,-0.0 -1,-0.1 -0.271 29.9 155.3-102.2 47.9 -21.7 39.5 15.9 86 147 A S - 0 0 22 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.449 36.0-156.4 -72.8 146.4 -23.5 40.6 19.0 87 148 A T + 0 0 145 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.278 48.4 134.2-103.2 7.7 -26.6 42.8 18.6 88 149 A L - 0 0 23 1,-0.1 -2,-0.1 6,-0.0 -45,-0.0 -0.367 63.8-108.3 -61.2 131.5 -26.3 44.2 22.1 89 150 A V - 0 0 87 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.211 25.2-125.6 -57.7 148.3 -26.7 48.0 22.1 90 151 A R + 0 0 139 -3,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.876 55.9 126.8-102.4 103.8 -23.5 50.0 22.8 91 152 A N S > S- 0 0 76 -2,-0.8 4,-0.6 1,-0.0 3,-0.2 -0.768 75.1 -79.0-139.7-173.2 -24.1 52.4 25.8 92 153 A E T >4 S+ 0 0 184 -2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.896 127.3 52.2 -61.1 -40.9 -22.5 53.2 29.1 93 154 A E T 34 S+ 0 0 148 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.827 116.6 39.2 -66.0 -31.9 -24.0 50.2 30.8 94 155 A T T 3> S+ 0 0 3 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.362 87.3 101.2 -99.1 5.9 -22.7 47.8 28.1 95 156 A A H S+ 0 0 78 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.957 112.0 44.8 -66.0 -50.1 -17.2 47.1 29.7 97 158 A I H > S+ 0 0 0 -56,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.921 115.5 49.2 -61.5 -39.5 -18.5 44.0 27.9 98 159 A W H X S+ 0 0 14 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.888 109.0 52.4 -66.5 -36.6 -18.1 45.6 24.6 99 160 A K H X S+ 0 0 111 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.925 111.3 46.6 -63.7 -43.9 -14.6 46.8 25.4 100 161 A L H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 114.6 47.2 -64.8 -41.2 -13.6 43.2 26.4 101 162 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.935 112.0 49.4 -66.0 -44.9 -15.1 41.8 23.2 102 163 A D H X S+ 0 0 54 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.903 113.2 47.6 -60.8 -40.3 -13.5 44.4 21.0 103 164 A E H X S+ 0 0 91 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.845 108.8 53.4 -70.6 -32.4 -10.1 43.7 22.6 104 165 A A H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 109.4 49.3 -67.1 -40.3 -10.6 40.0 22.2 105 166 A E H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.928 109.5 52.3 -61.3 -44.9 -11.3 40.5 18.5 106 167 A E H X S+ 0 0 113 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.895 106.9 52.7 -59.8 -39.6 -8.2 42.6 18.3 107 168 A W H >X S+ 0 0 20 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.940 109.2 49.1 -61.0 -45.3 -6.1 39.8 19.9 108 169 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.873 109.9 52.3 -61.5 -37.1 -7.4 37.4 17.3 109 170 A N H 3< S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.589 116.4 39.0 -75.0 -10.7 -6.5 39.8 14.5 110 171 A T H << S+ 0 0 77 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.282 110.3 55.6-124.8 9.8 -3.0 40.2 15.7 111 172 A H << - 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