==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUL-07 2QQ0 . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.SEGURA-PENA,J.LICHTER,M.TRANI,M.KONRAD,A.LAVIE,S.LUTZ . 339 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 3 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 PARALLEL BRIDGES PER LADDER . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 S 0 0 38 0, 0.0 90,-0.2 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 160.7 0.1 76.1 10.1 2 3 A G - 0 0 0 88,-2.6 2,-0.4 87,-0.2 93,-0.2 -0.435 360.0-136.3 -74.0 153.9 2.9 73.6 10.6 3 4 A K - 0 0 79 90,-0.1 93,-2.4 -2,-0.1 2,-0.5 -0.926 6.8-138.8-112.0 146.0 2.1 70.0 9.8 4 5 A L E -a 96 0A 0 -2,-0.4 117,-2.4 115,-0.2 118,-1.9 -0.900 16.6-173.5-105.7 127.2 3.1 67.0 11.9 5 6 A T E -ab 97 122A 17 91,-2.5 93,-2.6 -2,-0.5 2,-0.5 -0.972 6.6-162.0-116.5 124.4 4.4 63.8 10.1 6 7 A V E -ab 98 123A 0 116,-2.6 118,-2.9 -2,-0.5 2,-0.6 -0.961 2.2-162.9-109.6 128.5 5.0 60.8 12.3 7 8 A I E +ab 99 124A 0 91,-3.1 93,-2.2 -2,-0.5 2,-0.3 -0.927 26.4 159.9-109.5 118.2 7.2 58.0 11.0 8 9 A T E +ab 100 125A 0 116,-2.9 118,-3.3 -2,-0.6 93,-0.2 -0.850 9.3 108.5-141.1 172.1 6.7 54.8 12.9 9 10 A G E -a 101 0A 1 91,-0.6 93,-0.6 -2,-0.3 94,-0.2 -0.882 64.7 -49.2 144.3-176.7 7.2 51.0 12.8 10 11 A P S > S- 0 0 3 0, 0.0 3,-1.1 0, 0.0 5,-0.3 -0.111 76.8 -63.5 -80.8-178.5 9.4 48.3 14.3 11 12 A M T 3 S+ 0 0 20 1,-0.2 129,-0.1 149,-0.2 144,-0.0 -0.371 119.9 21.1 -63.3 149.4 13.2 48.5 14.6 12 13 A Y T 3 S+ 0 0 46 -3,-0.1 117,-0.3 1,-0.1 -1,-0.2 0.630 84.0 121.3 71.1 21.5 15.2 48.5 11.3 13 14 A S S < S- 0 0 7 -3,-1.1 114,-0.3 115,-0.1 -2,-0.1 0.437 88.3-101.2 -97.3 1.9 12.2 49.7 9.3 14 15 A G S > S+ 0 0 25 112,-0.1 4,-2.5 -4,-0.1 5,-0.2 0.666 75.6 139.1 92.1 23.8 14.0 52.8 8.0 15 16 A K H > S+ 0 0 18 -5,-0.3 4,-2.6 2,-0.2 5,-0.1 0.934 76.0 41.8 -68.7 -48.6 12.5 55.4 10.3 16 17 A T H > S+ 0 0 17 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.923 112.5 55.5 -64.5 -40.1 15.7 57.3 11.0 17 18 A T H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 111.2 44.6 -55.9 -45.5 16.7 57.1 7.3 18 19 A E H X S+ 0 0 43 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.916 111.4 52.8 -66.7 -44.0 13.3 58.7 6.4 19 20 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.928 109.7 48.5 -56.2 -46.4 13.6 61.3 9.1 20 21 A L H X S+ 0 0 39 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.833 105.8 58.6 -63.0 -34.7 17.1 62.2 7.8 21 22 A S H X S+ 0 0 54 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.918 106.9 47.5 -60.6 -41.3 15.8 62.4 4.2 22 23 A F H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.872 108.5 53.6 -65.5 -40.0 13.3 65.0 5.4 23 24 A V H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.950 109.1 50.7 -57.0 -49.1 16.1 67.0 7.2 24 25 A E H X S+ 0 0 119 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.887 106.1 55.1 -56.4 -40.9 18.0 67.0 3.9 25 26 A I H X S+ 0 0 94 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.932 110.6 44.1 -60.0 -46.2 15.0 68.3 2.0 26 27 A Y H <>S+ 0 0 21 -4,-2.0 5,-2.5 2,-0.2 3,-0.4 0.929 114.0 50.6 -65.8 -43.8 14.6 71.3 4.4 27 28 A K H ><5S+ 0 0 101 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.899 107.7 52.9 -59.8 -43.1 18.4 72.0 4.3 28 29 A L H 3<5S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.1 52.6 -63.3 -28.4 18.5 71.9 0.5 29 30 A G T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.300 117.9-115.7 -87.0 7.0 15.7 74.5 0.5 30 31 A K T < 5 + 0 0 174 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.819 66.2 147.8 56.2 38.9 17.8 76.7 2.8 31 32 A K < - 0 0 72 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.873 51.8-114.8-101.6 134.4 15.2 76.4 5.5 32 33 A K E -c 67 0A 51 34,-0.7 36,-3.1 -2,-0.5 37,-1.4 -0.441 37.1-170.4 -70.4 139.2 16.5 76.4 9.1 33 34 A V E -c 69 0A 23 34,-0.2 2,-0.4 35,-0.2 37,-0.2 -0.841 19.2-152.8-126.4 156.7 16.0 73.2 11.0 34 35 A A E -c 70 0A 2 35,-1.8 37,-2.4 -2,-0.3 2,-0.4 -0.988 16.5-162.9-130.5 129.0 16.3 72.0 14.6 35 36 A V E -c 71 0A 9 -2,-0.4 16,-3.1 35,-0.2 2,-0.3 -0.934 8.7-173.7-120.5 134.0 17.1 68.3 15.2 36 37 A F E +cd 72 51A 0 35,-2.8 37,-2.4 -2,-0.4 16,-0.2 -0.938 13.4 175.9-132.8 146.0 16.6 66.5 18.5 37 38 A K E - d 0 52A 55 14,-2.2 16,-2.4 -2,-0.3 2,-0.1 -0.974 37.7-100.9-141.1 155.3 17.2 63.1 20.1 38 39 A P E d 0 53A 19 0, 0.0 16,-0.2 0, 0.0 40,-0.1 -0.456 360.0 360.0 -81.4 157.5 16.7 61.9 23.7 39 40 A K 0 0 184 14,-1.5 14,-0.0 -2,-0.1 13,-0.0 -0.244 360.0 360.0 -74.4 360.0 19.5 61.7 26.2 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 48 A T 0 0 107 0, 0.0 9,-1.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -16.5 25.2 63.3 19.6 42 49 A M B -F 49 0B 43 7,-0.2 2,-0.7 1,-0.0 7,-0.3 -0.527 360.0-129.8 -83.5 141.0 24.6 62.0 16.0 43 50 A I - 0 0 8 5,-3.9 2,-0.4 -2,-0.2 -1,-0.0 -0.849 39.4-169.3 -82.6 117.7 21.3 60.6 14.8 44 51 A V - 0 0 79 -2,-0.7 2,-0.2 2,-0.0 -28,-0.1 -0.953 14.8-148.7-122.5 131.2 22.5 57.4 13.2 45 52 A S 0 0 62 -2,-0.4 0, 0.0 -29,-0.1 0, 0.0 -0.535 360.0 360.0 -90.5 160.3 20.7 54.9 11.0 46 53 A H 0 0 163 -2,-0.2 -1,-0.1 109,-0.0 109,-0.0 0.641 360.0 360.0 -76.4 360.0 21.3 51.1 10.9 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 58 A V 0 0 61 0, 0.0 -5,-3.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 155.5 23.3 64.0 11.3 49 59 A E B -F 42 0B 140 -7,-0.3 2,-0.3 -5,-0.0 -7,-0.2 -0.519 360.0-175.9 -75.2 138.8 24.1 66.0 14.4 50 60 A A - 0 0 7 -9,-1.9 2,-0.6 -2,-0.2 -14,-0.3 -0.881 32.7-106.5-129.4 157.9 21.3 66.5 16.9 51 61 A H E -d 36 0A 71 -16,-3.1 -14,-2.2 -2,-0.3 2,-0.6 -0.827 35.3-140.6 -80.1 122.9 20.6 68.4 20.2 52 62 A V E +d 37 0A 50 -2,-0.6 2,-0.3 -16,-0.2 -16,-0.0 -0.797 32.7 170.7 -87.0 120.8 20.5 65.7 22.9 53 63 A I E -d 38 0A 1 -16,-2.4 -14,-1.5 -2,-0.6 6,-0.0 -0.905 34.1-156.9-132.6 156.4 17.8 66.7 25.3 54 64 A E S S+ 0 0 136 -2,-0.3 25,-0.4 1,-0.2 -1,-0.1 0.882 82.0 37.8 -95.1 -57.5 16.0 65.1 28.3 55 65 A R S > S- 0 0 135 23,-0.1 3,-1.6 1,-0.1 4,-0.2 -0.751 77.4-128.1 -99.5 142.8 12.7 66.9 28.5 56 66 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.813 107.1 67.4 -55.8 -31.9 10.7 68.0 25.4 57 67 A E G > S+ 0 0 47 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.723 83.6 72.4 -63.5 -23.4 10.5 71.5 26.8 58 68 A E G X S+ 0 0 37 -3,-1.6 3,-1.3 1,-0.2 4,-0.4 0.644 79.1 79.2 -64.0 -16.3 14.3 71.9 26.3 59 69 A M G X S+ 0 0 2 -3,-1.8 3,-2.4 -4,-0.2 4,-0.4 0.897 78.4 68.2 -58.6 -35.9 13.5 72.1 22.6 60 70 A R G X S+ 0 0 125 -3,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.717 88.5 65.2 -61.5 -21.9 12.5 75.7 23.0 61 71 A K G < S+ 0 0 137 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 109.3 38.7 -66.1 -25.1 16.1 76.7 23.8 62 72 A Y G < S+ 0 0 76 -3,-2.4 2,-0.5 -4,-0.4 -1,-0.2 0.334 90.6 100.3-116.3 5.9 17.2 75.7 20.3 63 73 A I < - 0 0 36 -3,-0.5 2,-0.2 -4,-0.4 -29,-0.0 -0.831 55.2-160.1 -97.7 130.4 14.2 76.9 18.2 64 74 A E > - 0 0 109 -2,-0.5 3,-1.6 1,-0.1 -2,-0.1 -0.603 33.7-102.3-107.0 165.2 14.8 80.2 16.4 65 75 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.852 123.7 41.2 -48.8 -40.2 12.4 82.8 14.9 66 76 A D T 3 S+ 0 0 86 -33,-0.0 -34,-0.7 -35,-0.0 2,-0.3 0.239 79.3 129.4-102.3 12.7 13.2 81.4 11.4 67 77 A T E < +c 32 0A 5 -3,-1.6 -34,-0.2 1,-0.2 3,-0.1 -0.538 30.1 178.8 -61.2 126.2 13.2 77.7 12.2 68 78 A R E + 0 0 115 -36,-3.1 27,-2.3 -2,-0.3 2,-0.4 0.680 60.8 31.8-104.5 -26.4 10.9 76.0 9.6 69 79 A G E -ce 33 95A 0 -37,-1.4 -35,-1.8 25,-0.2 2,-0.4 -1.000 56.6-161.8-139.1 141.5 11.2 72.4 10.6 70 80 A V E -ce 34 96A 0 25,-2.6 27,-2.7 -2,-0.4 2,-0.4 -0.978 12.4-165.7-122.1 130.2 11.7 70.4 13.8 71 81 A F E -ce 35 97A 0 -37,-2.4 -35,-2.8 -2,-0.4 2,-0.5 -0.977 5.3-175.8-123.5 123.4 12.9 66.8 13.6 72 82 A I E -ce 36 98A 0 25,-2.8 27,-2.4 -2,-0.4 3,-0.3 -0.983 5.0-163.6-128.9 123.4 12.8 64.4 16.6 73 83 A D S S+ 0 0 6 -37,-2.4 27,-0.2 -2,-0.5 -57,-0.0 -0.708 70.1 19.2-101.1 158.8 14.1 60.9 16.6 74 84 A E > + 0 0 73 25,-0.3 3,-2.3 -2,-0.3 26,-0.3 0.880 69.0 170.8 56.9 46.0 13.3 58.1 19.1 75 85 A V G > + 0 0 0 24,-2.5 3,-1.9 -3,-0.3 25,-0.2 0.703 62.4 77.0 -65.4 -20.8 10.2 59.8 20.2 76 86 A Q G 3 S+ 0 0 7 1,-0.3 36,-0.3 23,-0.2 -1,-0.3 0.704 90.8 57.2 -60.2 -22.0 9.1 56.8 22.2 77 87 A F G < S+ 0 0 74 -3,-2.3 -1,-0.3 35,-0.1 2,-0.3 0.438 88.7 95.7 -87.3 -4.4 11.6 57.9 24.9 78 88 A F S < S- 0 0 4 -3,-1.9 34,-0.2 -4,-0.2 -23,-0.1 -0.607 85.3 -98.6 -89.0 147.9 10.2 61.4 25.5 79 89 A N > - 0 0 95 -25,-0.4 3,-2.4 -2,-0.3 4,-0.2 -0.319 38.0-112.2 -51.6 142.4 7.8 62.4 28.2 80 90 A P T > S+ 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.651 108.3 85.1 -62.2 -10.2 4.3 62.5 26.8 81 91 A S T 3> + 0 0 32 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.661 67.9 85.1 -60.3 -15.1 4.4 66.4 27.3 82 92 A L H <> S+ 0 0 1 -3,-2.4 4,-2.9 1,-0.2 -1,-0.3 0.846 78.2 66.0 -53.7 -32.8 6.0 66.2 23.9 83 93 A F H <> S+ 0 0 11 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.946 105.4 39.3 -53.9 -50.5 2.3 66.2 22.6 84 94 A E H > S+ 0 0 94 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.860 114.2 54.3 -74.2 -31.3 1.6 69.7 23.8 85 95 A V H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.949 111.5 45.2 -64.9 -46.8 5.1 71.0 22.8 86 96 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.915 109.0 55.9 -58.8 -46.3 4.6 69.7 19.3 87 97 A K H X S+ 0 0 17 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.925 107.4 50.2 -54.8 -42.1 1.0 71.2 19.1 88 98 A D H X S+ 0 0 39 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.912 108.8 51.4 -66.2 -40.6 2.5 74.6 20.0 89 99 A L H ><>S+ 0 0 6 -4,-1.9 5,-2.1 1,-0.2 3,-0.5 0.930 109.9 49.9 -58.5 -46.4 5.1 74.3 17.2 90 100 A L H ><5S+ 0 0 0 -4,-2.7 -88,-2.6 1,-0.2 3,-1.9 0.916 106.8 54.5 -60.5 -40.1 2.4 73.5 14.7 91 101 A D H 3<5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.7 54.7 -64.9 -26.5 0.3 76.5 15.8 92 102 A R T <<5S- 0 0 170 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.305 124.0-102.2 -89.5 4.5 3.4 78.7 15.2 93 103 A G T < 5S+ 0 0 36 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.540 76.9 137.5 89.3 9.3 3.8 77.5 11.6 94 104 A I < - 0 0 14 -5,-2.1 -1,-0.3 -92,-0.2 2,-0.2 -0.789 49.8-134.0 -94.2 125.7 6.7 75.1 12.2 95 105 A D E - e 0 69A 30 -27,-2.3 -25,-2.6 -2,-0.5 2,-0.4 -0.540 21.9-156.9 -76.9 141.3 6.6 71.7 10.5 96 106 A V E -ae 4 70A 0 -93,-2.4 -91,-2.5 -2,-0.2 2,-0.5 -0.976 11.9-170.7-124.8 136.0 7.4 68.8 12.8 97 107 A F E -ae 5 71A 11 -27,-2.7 -25,-2.8 -2,-0.4 2,-0.4 -0.995 9.8-176.0-126.7 122.6 8.7 65.3 11.9 98 108 A C E -ae 6 72A 0 -93,-2.6 -91,-3.1 -2,-0.5 2,-0.4 -0.969 6.8-169.7-120.3 138.7 8.9 62.6 14.5 99 109 A A E +a 7 0A 0 -27,-2.4 -24,-2.5 -2,-0.4 2,-0.3 -0.979 27.7 123.6-122.9 137.7 10.3 59.1 14.2 100 110 A G E -a 8 0A 0 -93,-2.2 -91,-0.6 -2,-0.4 2,-0.2 -0.984 57.6 -71.7-176.8 170.1 9.8 56.5 16.8 101 111 A L E -a 9 0A 19 -2,-0.3 12,-0.2 -93,-0.2 9,-0.1 -0.557 26.0-160.5 -75.2 140.3 8.6 53.0 17.7 102 112 A D S S+ 0 0 6 -93,-0.6 8,-2.1 -2,-0.2 2,-0.4 0.814 74.6 26.4 -84.9 -38.1 4.9 52.4 17.9 103 113 A L B S-G 109 0C 8 6,-0.2 -1,-0.2 -94,-0.2 38,-0.1 -0.967 73.9-123.7-130.6 147.0 5.1 49.2 20.0 104 114 A T > - 0 0 8 4,-3.1 3,-2.1 -2,-0.4 37,-0.3 -0.228 43.9 -96.3 -73.3 173.9 7.4 47.7 22.6 105 115 A H T 3 S+ 0 0 8 1,-0.3 38,-0.3 45,-0.2 -1,-0.1 0.684 129.5 57.5 -66.7 -16.3 8.8 44.3 22.2 106 116 A K T 3 S- 0 0 82 2,-0.1 -1,-0.3 36,-0.1 36,-0.1 0.319 120.8-111.8 -91.2 4.6 5.9 43.1 24.4 107 117 A Q S < S+ 0 0 7 -3,-2.1 -2,-0.1 1,-0.3 153,-0.1 0.856 73.5 137.9 65.5 30.6 3.5 44.6 21.8 108 118 A N - 0 0 59 1,-0.0 -4,-3.1 183,-0.0 -1,-0.3 -0.848 60.6 -99.7 -96.5 149.1 2.4 47.3 24.3 109 119 A P B -G 103 0C 31 0, 0.0 2,-0.8 0, 0.0 -6,-0.2 -0.391 20.7-128.8 -65.9 140.3 1.9 50.9 22.9 110 120 A F > - 0 0 13 -8,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.862 26.1-149.1 -77.2 113.2 4.7 53.4 23.4 111 121 A E H > S+ 0 0 98 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.853 88.7 51.6 -63.3 -36.8 2.4 56.1 24.8 112 122 A T H > S+ 0 0 1 -36,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.930 112.0 47.7 -65.6 -41.6 4.3 59.1 23.6 113 123 A T H > S+ 0 0 0 -12,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 110.5 53.1 -61.3 -43.0 4.3 57.8 20.0 114 124 A A H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.897 107.8 50.1 -61.0 -43.1 0.6 57.0 20.3 115 125 A L H X S+ 0 0 39 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.896 111.3 48.9 -62.0 -40.8 -0.2 60.5 21.4 116 126 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.877 105.7 56.8 -69.2 -32.0 1.8 61.9 18.4 117 127 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 105.7 53.2 -63.1 -37.6 0.0 59.5 16.0 118 128 A S H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.4 41.3 -60.8 -39.0 -3.2 61.1 17.3 119 129 A L H < S+ 0 0 5 -4,-1.3 -115,-0.2 -5,-0.1 -1,-0.2 0.672 92.1 118.5 -83.6 -20.0 -2.0 64.6 16.5 120 130 A A < - 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