==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 03-MAY-12 2LSN . COMPND 2 MOLECULE: RNASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SPUMARETROVIRUS; . AUTHOR B.LEO,K.SCHWEIMER,B.WOEHRL . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 12.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 0 1 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 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 1 A G > 0 0 108 0, 0.0 3,-0.8 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-102.6 -27.8 -26.0 -15.6 2 2 A A T 3 + 0 0 115 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.833 360.0 64.3 -62.9 -27.8 -28.7 -24.8 -12.1 3 3 A M T 3 S- 0 0 91 1,-0.2 -1,-0.2 3,-0.0 2,-0.1 0.875 94.9-159.0 -64.5 -33.6 -25.4 -22.9 -12.2 4 4 A G < - 0 0 36 -3,-0.8 2,-0.5 1,-0.1 -1,-0.2 -0.436 29.7 -60.1 85.3-164.3 -26.7 -20.7 -15.1 5 5 A Q + 0 0 186 -2,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.958 53.8 178.6-125.0 119.5 -24.5 -18.8 -17.4 6 6 A Y - 0 0 65 -2,-0.5 31,-0.4 1,-0.1 72,-0.2 -0.821 42.7-112.6-116.2 158.2 -22.1 -16.1 -16.1 7 7 A E S S- 0 0 96 70,-2.5 30,-0.3 -2,-0.3 2,-0.3 0.897 87.2 -54.7 -55.5 -36.9 -19.6 -13.9 -18.0 8 8 A G E -a 78 0A 2 69,-0.5 71,-1.9 28,-0.2 2,-0.4 -0.966 57.2 -92.6-178.8-167.7 -16.9 -15.8 -16.2 9 9 A V E -aB 79 35A 1 26,-2.0 26,-2.5 -2,-0.3 2,-0.5 -0.982 22.0-150.1-132.9 144.5 -15.6 -16.7 -12.7 10 10 A F E -aB 80 34A 16 69,-4.2 71,-3.3 -2,-0.4 2,-0.5 -0.942 8.9-167.6-118.2 121.4 -13.1 -15.0 -10.4 11 11 A Y E -aB 81 33A 3 22,-3.2 22,-3.0 -2,-0.5 2,-0.3 -0.901 8.0-169.1-107.8 126.7 -11.0 -17.0 -8.0 12 12 A T E - B 0 32A 0 69,-2.3 71,-0.4 -2,-0.5 2,-0.3 -0.864 5.0-177.5-115.1 150.3 -9.1 -15.1 -5.2 13 13 A D E - B 0 31A 9 18,-1.2 18,-1.7 -2,-0.3 2,-0.4 -0.980 8.4-159.1-142.2 154.5 -6.3 -16.3 -2.9 14 14 A G E + B 0 30A 10 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.997 13.6 169.4-138.1 138.3 -4.3 -14.8 -0.0 15 15 A S E - B 0 29A 33 14,-1.8 14,-1.5 -2,-0.4 2,-0.3 -0.961 10.8-163.5-143.1 160.9 -1.0 -15.8 1.5 16 16 A A E - B 0 28A 39 -2,-0.3 2,-0.4 12,-0.3 12,-0.3 -0.997 6.0-152.2-146.3 150.4 1.5 -14.4 4.0 17 17 A I E - B 0 27A 73 10,-2.9 10,-2.5 -2,-0.3 2,-0.4 -0.974 8.2-150.7-126.5 138.0 5.2 -15.1 4.9 18 18 A K E - B 0 26A 168 -2,-0.4 8,-0.1 8,-0.2 5,-0.1 -0.868 14.7-170.0-108.1 139.3 6.9 -14.4 8.3 19 19 A S - 0 0 54 6,-0.6 6,-0.2 3,-0.5 146,-0.0 -0.829 33.4-117.7-124.3 165.0 10.6 -13.7 8.6 20 20 A P S S+ 0 0 121 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.810 112.8 47.2 -70.5 -30.8 13.1 -13.4 11.5 21 21 A D S S+ 0 0 148 1,-0.2 2,-2.8 2,-0.1 3,-0.3 0.989 106.9 53.5 -74.0 -64.1 13.8 -9.7 10.8 22 22 A P > + 0 0 34 0, 0.0 3,-1.8 0, 0.0 -3,-0.5 -0.342 65.5 160.3 -70.2 66.7 10.2 -8.4 10.4 23 23 A T T 3 S+ 0 0 116 -2,-2.8 -2,-0.1 -3,-0.3 -4,-0.0 0.960 81.8 32.8 -56.0 -50.4 9.0 -9.8 13.8 24 24 A K T 3 S+ 0 0 197 -3,-0.3 2,-0.3 2,-0.0 -1,-0.3 -0.012 119.9 66.2 -95.6 32.4 6.0 -7.4 13.8 25 25 A S < - 0 0 67 -3,-1.8 -6,-0.6 -6,-0.2 2,-0.3 -0.994 57.8-173.3-151.4 142.8 5.7 -7.5 10.0 26 26 A N E -B 18 0A 42 28,-0.4 2,-0.6 -2,-0.3 28,-0.4 -0.973 24.0-124.8-136.8 152.3 4.8 -10.1 7.4 27 27 A N E +B 17 0A 16 -10,-2.5 -10,-2.9 -2,-0.3 2,-0.3 -0.846 36.1 169.8 -99.9 122.0 4.8 -10.3 3.6 28 28 A A E -BC 16 51A 1 -2,-0.6 23,-2.6 23,-0.6 2,-0.3 -0.931 10.3-173.0-129.6 154.9 1.5 -11.2 2.0 29 29 A G E -BC 15 50A 0 -14,-1.5 -14,-1.8 -2,-0.3 2,-0.4 -0.943 16.0-133.6-141.7 163.7 0.2 -11.2 -1.6 30 30 A M E -BC 14 49A 6 19,-1.6 19,-3.5 -2,-0.3 2,-0.5 -0.952 12.6-163.8-122.6 140.8 -3.1 -11.8 -3.4 31 31 A G E -BC 13 48A 0 -18,-1.7 -18,-1.2 -2,-0.4 2,-0.4 -0.971 4.5-169.4-126.2 123.8 -3.7 -13.9 -6.5 32 32 A I E -BC 12 47A 0 15,-3.5 15,-2.8 -2,-0.5 2,-0.4 -0.905 2.7-164.2-113.0 138.3 -6.9 -13.6 -8.7 33 33 A V E -BC 11 46A 2 -22,-3.0 -22,-3.2 -2,-0.4 2,-0.4 -0.963 5.6-152.8-122.6 135.5 -7.8 -16.1 -11.4 34 34 A H E +BC 10 45A 15 11,-2.0 10,-1.5 -2,-0.4 11,-0.6 -0.878 17.4 177.3-108.0 136.0 -10.4 -15.5 -14.2 35 35 A A E -BC 9 43A 1 -26,-2.5 -26,-2.0 -2,-0.4 2,-0.3 -0.818 13.9-145.5-129.2 170.8 -12.2 -18.4 -15.8 36 36 A T - 0 0 17 6,-0.7 6,-0.3 -28,-0.3 -28,-0.2 -0.897 17.7-136.2-134.0 165.0 -15.0 -18.7 -18.4 37 37 A Y + 0 0 80 -31,-0.4 4,-0.1 -30,-0.3 -29,-0.1 0.276 60.3 131.2-104.4 11.5 -17.9 -21.1 -19.1 38 38 A K S S- 0 0 134 2,-0.2 -2,-0.1 1,-0.2 3,-0.0 0.103 84.2 -82.6 -51.5 179.5 -17.3 -21.3 -22.8 39 39 A P S S+ 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.566 124.5 51.8 -66.4 -5.2 -17.2 -24.9 -24.4 40 40 A E S S- 0 0 140 2,-0.1 -2,-0.2 0, 0.0 2,-0.1 -0.889 87.8-133.2-135.5 106.2 -13.5 -25.1 -23.2 41 41 A Y + 0 0 81 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.356 46.6 148.2 -57.8 123.7 -12.8 -24.3 -19.5 42 42 A Q - 0 0 126 -6,-0.3 -6,-0.7 -2,-0.1 2,-0.5 -0.989 52.4-104.2-158.1 148.5 -9.7 -22.0 -19.5 43 43 A V E -C 35 0A 45 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.626 22.1-156.1 -77.9 122.3 -8.4 -19.1 -17.4 44 44 A L E S- 0 0 88 -10,-1.5 2,-0.3 -2,-0.5 -1,-0.2 0.919 70.1 -35.1 -65.0 -40.0 -9.0 -15.8 -19.2 45 45 A N E -C 34 0A 111 -11,-0.6 -11,-2.0 -3,-0.1 2,-0.3 -0.975 57.8-118.0-173.2 162.5 -6.1 -14.1 -17.3 46 46 A Q E -C 33 0A 96 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.817 19.6-158.9-112.8 154.7 -4.3 -14.1 -14.0 47 47 A W E -C 32 0A 106 -15,-2.8 -15,-3.5 -2,-0.3 2,-0.5 -0.992 3.8-168.8-135.3 132.5 -3.9 -11.2 -11.5 48 48 A S E -C 31 0A 44 -2,-0.4 -17,-0.2 -17,-0.2 109,-0.1 -0.969 5.0-179.2-122.9 128.1 -1.3 -10.8 -8.8 49 49 A I E -C 30 0A 33 -19,-3.5 -19,-1.6 -2,-0.5 2,-0.2 -0.780 12.4-160.5-129.4 91.6 -1.6 -8.1 -6.0 50 50 A P E -C 29 0A 43 0, 0.0 2,-0.3 0, 0.0 -21,-0.3 -0.472 11.1-144.3 -70.6 133.2 1.4 -8.1 -3.6 51 51 A L E -C 28 0A 13 -23,-2.6 -23,-0.6 -2,-0.2 3,-0.1 -0.751 14.8-171.5 -99.7 147.1 0.7 -6.4 -0.3 52 52 A G S S+ 0 0 34 -2,-0.3 2,-0.4 -25,-0.1 -1,-0.2 0.858 84.3 17.3-100.6 -62.2 3.4 -4.4 1.6 53 53 A N S S+ 0 0 159 -26,-0.1 2,-0.2 -28,-0.1 -1,-0.1 -0.400 105.8 101.2-108.4 57.5 2.0 -3.5 5.0 54 54 A H - 0 0 79 -2,-0.4 -28,-0.4 -28,-0.4 2,-0.3 -0.754 60.2-127.7-129.5 178.0 -0.9 -5.9 5.1 55 55 A T > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.794 32.3-101.7-124.2 169.1 -1.6 -9.3 6.8 56 56 A A H > S+ 0 0 32 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.921 123.8 53.3 -57.4 -41.1 -2.8 -12.7 5.6 57 57 A Q H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 110.5 46.5 -61.6 -40.6 -6.3 -11.9 6.9 58 58 A M H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 108.4 56.4 -70.8 -32.4 -6.3 -8.6 5.0 59 59 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.873 107.2 49.7 -67.6 -33.4 -5.1 -10.4 1.8 60 60 A E H X S+ 0 0 52 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.954 116.6 39.2 -70.8 -48.0 -8.1 -12.8 2.0 61 61 A I H X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.901 115.3 53.4 -69.4 -38.0 -10.7 -10.0 2.4 62 62 A A H X S+ 0 0 21 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.862 103.8 57.7 -65.8 -31.7 -8.8 -7.7 -0.1 63 63 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 5,-0.3 0.908 106.3 48.2 -66.0 -38.6 -8.9 -10.6 -2.7 64 64 A V H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.902 112.8 47.8 -69.6 -38.1 -12.7 -10.8 -2.5 65 65 A E H X S+ 0 0 37 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.904 108.0 57.3 -69.8 -38.0 -13.0 -7.0 -2.9 66 66 A F H X S+ 0 0 52 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.991 115.3 33.2 -55.7 -66.6 -10.6 -7.0 -5.8 67 67 A A H X S+ 0 0 0 -4,-1.7 4,-3.9 1,-0.2 5,-0.2 0.862 110.7 70.1 -59.9 -31.9 -12.5 -9.4 -8.0 68 68 A C H X S+ 0 0 4 -4,-1.8 4,-2.0 -5,-0.3 5,-0.3 0.965 106.2 35.8 -50.6 -56.9 -15.7 -8.0 -6.5 69 69 A K H X S+ 0 0 86 -4,-2.2 4,-2.4 -3,-0.3 -1,-0.2 0.934 119.6 50.1 -64.9 -42.9 -15.3 -4.7 -8.4 70 70 A K H X S+ 0 0 50 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.859 109.7 54.3 -64.6 -31.5 -13.8 -6.5 -11.4 71 71 A A H >< S+ 0 0 0 -4,-3.9 3,-0.9 -5,-0.2 5,-0.2 0.999 113.5 36.7 -66.2 -65.4 -16.8 -8.9 -11.4 72 72 A L H 3< S+ 0 0 39 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.905 106.6 71.0 -55.0 -38.7 -19.6 -6.3 -11.5 73 73 A K H 3< S+ 0 0 170 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.923 81.2 88.5 -44.4 -47.3 -17.4 -4.2 -13.8 74 74 A I S << S- 0 0 44 -4,-1.3 4,-0.1 -3,-0.9 -67,-0.1 -0.210 92.9-121.1 -52.3 143.1 -18.1 -6.8 -16.5 75 75 A P S S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.571 96.4 48.6 -65.5 -6.0 -21.3 -6.0 -18.5 76 76 A G S S- 0 0 8 -5,-0.2 2,-0.1 1,-0.0 -70,-0.1 -0.824 102.7 -79.7-129.3 170.1 -22.7 -9.4 -17.3 77 77 A P - 0 0 43 0, 0.0 -70,-2.5 0, 0.0 -69,-0.5 -0.421 47.0-168.7 -70.0 140.0 -22.9 -11.3 -13.9 78 78 A V E -a 8 0A 1 -72,-0.2 53,-2.1 -71,-0.2 2,-0.5 -0.872 18.2-124.9-127.6 162.6 -19.8 -13.0 -12.7 79 79 A L E -ad 9 131A 2 -71,-1.9 -69,-4.2 -2,-0.3 2,-0.5 -0.912 19.3-162.5-111.0 130.8 -19.0 -15.5 -9.9 80 80 A V E -ad 10 132A 0 51,-3.8 53,-2.1 -2,-0.5 2,-0.4 -0.932 5.8-170.4-114.0 126.4 -16.4 -14.8 -7.3 81 81 A I E -ad 11 133A 3 -71,-3.3 -69,-2.3 -2,-0.5 2,-0.3 -0.906 3.6-173.7-115.4 142.3 -14.9 -17.7 -5.2 82 82 A T E - d 0 134A 0 51,-3.4 53,-4.1 -2,-0.4 -69,-0.1 -0.900 33.7-127.1-130.5 161.3 -12.7 -17.2 -2.1 83 83 A D S S+ 0 0 38 -71,-0.4 2,-0.5 -2,-0.3 51,-0.1 0.407 94.1 72.7 -87.5 5.2 -10.8 -19.6 0.2 84 84 A S > - 0 0 21 49,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.964 59.8-165.8-123.3 124.0 -12.4 -18.0 3.2 85 85 A F H > S+ 0 0 113 -2,-0.5 4,-3.5 2,-0.2 5,-0.5 0.921 90.6 56.5 -72.7 -41.6 -16.1 -18.6 4.1 86 86 A Y H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.979 113.2 39.1 -54.0 -58.8 -16.2 -15.7 6.6 87 87 A V H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.951 119.4 48.9 -58.3 -46.8 -15.1 -13.1 4.0 88 88 A A H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.3 5,-0.2 0.992 115.0 41.5 -57.0 -63.6 -17.2 -14.8 1.3 89 89 A E H X>S+ 0 0 51 -4,-3.5 4,-2.8 1,-0.2 5,-1.7 0.753 109.8 67.7 -57.2 -17.9 -20.4 -15.0 3.4 90 90 A S H <>S+ 0 0 0 -4,-1.5 5,-4.1 -5,-0.5 7,-0.2 0.999 106.7 32.4 -66.4 -65.5 -19.4 -11.5 4.5 91 91 A A H <5S+ 0 0 2 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.659 121.8 56.4 -66.5 -10.6 -19.9 -9.7 1.2 92 92 A N H <5S- 0 0 79 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.881 137.3 -13.1 -88.3 -42.0 -22.7 -12.2 0.6 93 93 A K T X5S+ 0 0 96 -4,-2.8 4,-4.0 -5,-0.2 5,-0.4 0.642 132.7 58.2-126.4 -49.2 -24.8 -11.5 3.8 94 94 A E H > S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.859 124.3 52.7 -70.2 -36.6 -26.2 -6.2 3.2 97 97 A Y H X S+ 0 0 105 -4,-4.0 4,-1.2 -7,-0.2 -3,-0.2 0.929 109.3 49.0 -67.4 -42.4 -26.9 -7.3 6.7 98 98 A W H ><>S+ 0 0 3 -4,-3.5 5,-2.7 -5,-0.4 6,-1.2 0.929 105.0 58.6 -63.9 -42.3 -24.3 -4.9 8.2 99 99 A K H ><5S+ 0 0 123 -4,-1.7 3,-2.1 -5,-0.4 -1,-0.2 0.921 100.9 56.5 -54.3 -42.0 -25.8 -2.0 6.2 100 100 A S H 3<5S+ 0 0 97 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.897 110.6 43.9 -58.6 -37.1 -29.2 -2.6 7.8 101 101 A N T <<5S- 0 0 71 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.233 130.6 -96.8 -91.8 16.7 -27.5 -2.1 11.2 102 102 A G T < 5S- 0 0 46 -3,-2.1 -3,-0.3 1,-0.2 -2,-0.2 0.920 82.4 -48.7 72.5 41.5 -25.5 0.9 9.9 103 103 A F S S+ 0 0 73 -2,-0.3 4,-2.1 1,-0.1 -1,-0.2 0.903 74.1 156.6 60.9 37.7 -12.9 -3.6 8.8 114 114 A I H > + 0 0 59 -3,-0.5 4,-3.4 1,-0.2 5,-0.2 0.907 67.9 58.4 -63.4 -38.1 -15.8 -1.4 7.8 115 115 A S H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 107.2 46.8 -57.9 -45.5 -13.7 0.5 5.3 116 116 A K H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.941 116.4 43.8 -63.4 -44.3 -12.9 -2.7 3.5 117 117 A W H X S+ 0 0 11 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.875 106.8 62.0 -69.4 -34.0 -16.5 -3.7 3.4 118 118 A K H X S+ 0 0 131 -4,-3.4 4,-1.6 -5,-0.2 -1,-0.2 0.939 103.8 48.5 -58.0 -44.4 -17.6 -0.2 2.5 119 119 A S H X S+ 0 0 40 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.937 114.5 45.1 -62.7 -43.4 -15.6 -0.5 -0.8 120 120 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 3,-0.5 0.877 106.8 60.2 -68.9 -34.2 -17.2 -3.9 -1.5 121 121 A A H X S+ 0 0 17 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.879 98.7 58.3 -61.9 -33.9 -20.7 -2.5 -0.5 122 122 A E H X S+ 0 0 107 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.873 112.7 39.8 -64.8 -33.3 -20.4 0.1 -3.3 123 123 A C H >X S+ 0 0 6 -4,-0.9 3,-1.1 -3,-0.5 4,-1.0 0.948 118.3 44.2 -80.8 -52.1 -19.9 -2.8 -5.9 124 124 A L H 3< S+ 0 0 32 -4,-2.9 3,-0.2 1,-0.3 -2,-0.2 0.826 107.8 62.5 -62.5 -27.0 -22.5 -5.2 -4.4 125 125 A S H 3< S+ 0 0 75 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.817 96.3 58.7 -68.8 -26.6 -24.9 -2.2 -4.0 126 126 A M H << S- 0 0 109 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.862 131.4 -27.3 -71.2 -32.4 -24.8 -1.7 -7.8 127 127 A K >< - 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