==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-12 4FL3 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE SYK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.GRAEDLER,D.SCHWARZ,V.DRESING,M.MUSIL,J.BOMKE,M.FRECH,S.JAE . 538 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 1 2 2 2 0 0 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 2 3 0 1 4 1 2 0 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 2 1 2 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 9 A S 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 10.0 13.3 37.9 2 10 A A > + 0 0 1 75,-0.1 3,-2.2 3,-0.1 6,-0.2 0.159 360.0 117.8-137.7 11.2 8.9 10.3 40.1 3 11 A N T 3 S+ 0 0 72 1,-0.3 5,-0.1 106,-0.1 106,-0.0 0.706 70.6 62.6 -55.4 -27.6 12.2 9.7 42.0 4 12 A H T 3 S+ 0 0 142 3,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.661 81.4 95.3 -75.1 -17.9 10.5 10.5 45.3 5 13 A L X - 0 0 18 -3,-2.2 3,-1.5 1,-0.1 -3,-0.1 -0.624 69.0-149.4 -76.7 123.5 8.0 7.5 44.9 6 14 A P T 3 S+ 0 0 66 0, 0.0 95,-3.0 0, 0.0 -1,-0.1 0.692 97.7 51.8 -68.1 -17.0 9.5 4.5 46.8 7 15 A F T 3 S+ 0 0 21 93,-0.3 26,-2.5 25,-0.0 2,-0.5 0.207 86.3 106.5 -99.2 8.5 7.8 2.0 44.2 8 16 A F B < +a 33 0A 2 -3,-1.5 26,-0.2 -6,-0.2 93,-0.1 -0.824 42.0 177.9 -92.7 126.5 9.4 3.9 41.2 9 17 A F - 0 0 2 24,-2.7 99,-2.5 -2,-0.5 25,-0.2 0.466 24.9-145.0-108.7 -6.0 12.3 2.0 39.6 10 18 A G B -e 108 0B 0 97,-0.3 25,-2.6 23,-0.2 2,-1.7 -0.425 65.4 -3.5 74.3-148.1 13.3 4.2 36.6 11 19 A N S S+ 0 0 12 97,-2.5 2,-0.2 23,-0.2 -1,-0.1 -0.485 84.7 142.5 -83.9 69.0 14.5 2.7 33.3 12 20 A I - 0 0 2 -2,-1.7 2,-0.2 23,-0.1 23,-0.1 -0.499 53.9 -97.6 -96.2 172.4 14.5 -1.1 34.1 13 21 A T > - 0 0 22 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.490 28.7-112.3 -86.6 165.5 13.5 -3.8 31.6 14 22 A R H > S+ 0 0 31 523,-0.7 4,-2.3 1,-0.2 5,-0.1 0.904 120.2 51.6 -60.6 -41.4 10.0 -5.4 31.5 15 23 A E H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 107.8 50.4 -64.8 -40.4 11.6 -8.7 32.6 16 24 A E H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 109.9 51.7 -62.7 -40.9 13.4 -7.1 35.6 17 25 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 111.6 46.7 -59.9 -44.7 10.0 -5.5 36.6 18 26 A E H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 109.1 54.2 -64.9 -42.3 8.4 -9.0 36.4 19 27 A D H X S+ 0 0 110 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 109.2 49.3 -57.0 -40.6 11.3 -10.5 38.4 20 28 A Y H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.871 109.2 50.9 -66.2 -40.8 10.6 -7.8 41.2 21 29 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 6,-0.2 0.892 111.5 47.9 -64.5 -37.8 6.9 -8.6 41.2 22 30 A V H ><5S+ 0 0 93 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.940 110.4 52.5 -65.4 -43.8 7.8 -12.4 41.7 23 31 A Q H 3<5S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.879 107.0 53.3 -56.2 -39.5 10.2 -11.2 44.4 24 32 A G T 3<5S- 0 0 27 -4,-2.2 3,-0.3 -5,-0.1 -1,-0.3 0.384 127.9 -99.1 -77.0 -1.5 7.2 -9.3 46.0 25 33 A G T < 5 - 0 0 48 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.350 40.4-103.9 100.8 -1.6 5.1 -12.6 46.0 26 34 A M < + 0 0 19 -5,-2.4 25,-0.5 1,-0.2 -1,-0.2 0.745 60.5 169.1 55.0 29.8 3.0 -12.1 42.9 27 35 A S > - 0 0 59 -3,-0.3 3,-2.2 -6,-0.2 21,-0.3 -0.469 46.5 -89.1 -72.5 143.6 -0.2 -11.2 45.0 28 36 A D T 3 S+ 0 0 76 1,-0.3 21,-0.2 -2,-0.1 69,-0.1 -0.238 114.8 16.4 -53.8 130.2 -3.2 -9.8 43.0 29 37 A G T 3 S+ 0 0 0 19,-2.5 67,-2.3 1,-0.3 68,-1.0 0.470 86.0 142.4 81.2 4.1 -2.9 -6.0 42.8 30 38 A L E < +b 97 0A 6 -3,-2.2 18,-2.7 18,-0.3 2,-0.3 -0.595 31.5 173.7 -72.8 134.6 0.8 -5.9 43.7 31 39 A Y E -bC 98 47A 16 66,-2.0 68,-3.1 -2,-0.2 2,-0.3 -0.978 29.0-168.8-147.5 162.6 2.4 -3.1 41.5 32 40 A L E - C 0 46A 0 14,-2.3 14,-2.5 -2,-0.3 2,-0.4 -0.961 18.8-132.6-145.9 160.2 5.4 -1.0 40.6 33 41 A L E +aC 8 45A 0 -26,-2.5 -24,-2.7 -2,-0.3 2,-0.3 -0.912 28.6 164.9-113.9 143.8 6.1 2.1 38.5 34 42 A R E - C 0 44A 0 10,-2.7 10,-2.3 -2,-0.4 2,-0.3 -0.860 40.2 -82.5-146.3 177.8 8.9 2.4 36.0 35 43 A Q E - C 0 43A 58 -25,-2.6 8,-0.3 8,-0.3 -23,-0.1 -0.650 45.0-108.2 -89.1 143.1 10.0 4.7 33.1 36 44 A S > - 0 0 6 6,-1.6 3,-0.6 -2,-0.3 2,-0.4 -0.469 25.7-132.1 -67.7 139.4 8.6 4.1 29.6 37 45 A R T 3 S+ 0 0 20 496,-0.2 -1,-0.1 1,-0.2 6,-0.0 -0.149 87.5 83.1 -87.1 38.5 11.4 2.7 27.4 38 46 A N T 3 S- 0 0 10 -2,-0.4 -1,-0.2 4,-0.1 -2,-0.0 0.280 95.6-117.1-126.1 2.2 10.8 5.2 24.5 39 47 A Y S < S+ 0 0 69 -3,-0.6 -2,-0.1 1,-0.1 -4,-0.0 0.690 84.2 116.8 64.2 19.3 12.6 8.5 25.4 40 48 A L S S- 0 0 86 -4,-0.1 20,-0.3 3,-0.0 -1,-0.1 0.233 88.0-111.5-101.7 12.2 9.2 10.2 25.5 41 49 A G S S+ 0 0 45 -5,-0.2 2,-0.1 1,-0.2 -4,-0.1 0.705 76.0 128.7 66.6 24.6 9.2 11.2 29.2 42 50 A G - 0 0 2 -6,-0.1 -6,-1.6 18,-0.1 2,-0.2 -0.254 47.9-131.4 -97.6-171.5 6.5 8.7 30.0 43 51 A F E -CD 35 58A 10 15,-2.6 15,-2.9 -8,-0.3 2,-0.3 -0.745 3.9-141.4-133.6 173.1 6.0 5.9 32.5 44 52 A A E -CD 34 57A 1 -10,-2.3 -10,-2.7 13,-0.3 2,-0.5 -0.984 9.3-148.8-142.9 137.4 4.9 2.2 32.7 45 53 A L E -CD 33 56A 0 11,-2.3 11,-2.3 -2,-0.3 2,-0.5 -0.954 9.7-162.6-111.1 124.3 2.8 0.5 35.4 46 54 A S E -CD 32 55A 0 -14,-2.5 -14,-2.3 -2,-0.5 2,-0.4 -0.973 13.4-178.5-113.8 119.4 3.5 -3.2 36.1 47 55 A V E -CD 31 54A 1 7,-2.9 7,-2.9 -2,-0.5 2,-0.3 -0.974 23.1-135.8-126.1 137.1 0.7 -5.1 38.0 48 56 A A E + D 0 53A 0 -18,-2.7 -19,-2.5 -2,-0.4 -18,-0.3 -0.695 35.6 154.7 -87.8 135.0 0.4 -8.7 39.2 49 57 A H E > - D 0 52A 58 3,-2.2 3,-0.8 -2,-0.3 -22,-0.1 -0.791 66.7 -5.4-164.2 123.5 -3.0 -10.4 38.6 50 58 A G T 3 S- 0 0 42 -2,-0.2 3,-0.1 1,-0.2 -23,-0.1 0.884 126.9 -57.5 58.6 42.9 -3.9 -14.1 38.3 51 59 A R T 3 S+ 0 0 198 -25,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.709 119.9 101.1 60.5 24.5 -0.2 -15.1 38.5 52 60 A K E < S-D 49 0A 134 -3,-0.8 -3,-2.2 -26,-0.1 2,-0.4 -0.963 70.8-123.5-134.8 150.6 0.6 -12.9 35.4 53 61 A A E -D 48 0A 25 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.805 20.8-158.2 -96.4 135.9 2.2 -9.5 35.1 54 62 A H E -D 47 0A 37 -7,-2.9 -7,-2.9 -2,-0.4 2,-0.4 -0.981 6.3-161.8-118.2 125.9 0.3 -6.8 33.3 55 63 A H E -D 46 0A 13 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.926 7.3-175.8-115.0 135.0 2.1 -3.8 31.8 56 64 A Y E -D 45 0A 48 -11,-2.3 -11,-2.3 -2,-0.4 2,-0.4 -0.992 22.2-131.3-133.3 128.4 0.6 -0.4 30.8 57 65 A T E -D 44 0A 36 -2,-0.4 2,-0.7 -13,-0.2 12,-0.5 -0.645 14.7-155.0 -81.0 124.7 2.2 2.6 29.1 58 66 A I E -D 43 0A 0 -15,-2.9 -15,-2.6 -2,-0.4 2,-0.3 -0.898 16.6-154.1 -99.0 113.1 1.6 6.0 30.7 59 67 A E E -F 67 0C 57 8,-2.9 8,-2.1 -2,-0.7 2,-0.4 -0.692 13.2-124.5 -95.3 140.1 2.0 8.7 28.1 60 68 A R E -F 66 0C 139 -20,-0.3 6,-0.2 -2,-0.3 2,-0.1 -0.716 28.7-139.8 -80.8 125.8 2.9 12.4 28.8 61 69 A E > - 0 0 69 4,-4.0 3,-2.2 -2,-0.4 -1,-0.0 -0.496 25.7-104.1 -82.0 161.3 0.3 14.8 27.4 62 70 A L T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.815 122.6 54.5 -52.7 -36.8 1.2 18.1 25.6 63 71 A N T 3 S- 0 0 120 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.310 125.4-101.5 -82.2 7.3 0.1 20.0 28.8 64 72 A G S < S+ 0 0 19 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.483 85.2 123.3 84.5 5.7 2.4 17.9 31.0 65 73 A T - 0 0 22 11,-0.1 -4,-4.0 -5,-0.0 2,-0.3 -0.381 54.8-123.2 -88.2 172.1 -0.4 15.7 32.3 66 74 A Y E +FG 60 74C 21 8,-3.1 8,-2.1 -6,-0.2 2,-0.3 -0.941 29.8 163.3-127.0 146.0 -0.5 11.8 32.1 67 75 A A E -F 59 0C 1 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.5 -0.993 31.2-126.1-154.5 157.1 -2.8 9.2 30.6 68 76 A I S > S- 0 0 32 4,-0.4 3,-1.9 -2,-0.3 -10,-0.1 -0.932 88.3 -17.0-106.6 127.4 -3.1 5.5 29.5 69 77 A A T 3 S- 0 0 52 -12,-0.5 -1,-0.2 -2,-0.5 -11,-0.1 0.803 125.4 -53.4 47.8 45.3 -4.5 4.7 25.9 70 78 A G T 3 S+ 0 0 68 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.549 108.7 136.3 70.1 11.3 -6.0 8.2 25.3 71 79 A G < - 0 0 39 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.324 60.0 -34.7 -68.8-161.3 -7.9 7.8 28.6 72 80 A R - 0 0 118 17,-0.1 -4,-0.4 1,-0.1 2,-0.2 -0.293 65.0-113.9 -65.7 147.1 -8.4 10.3 31.4 73 81 A T - 0 0 71 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.2 -0.561 27.2-164.3 -83.0 144.0 -5.7 12.8 32.3 74 82 A H B -G 66 0C 17 -8,-2.1 -8,-3.1 -2,-0.2 6,-0.1 -0.973 24.3-130.9-128.0 143.6 -3.8 12.7 35.6 75 83 A A S S- 0 0 70 -2,-0.3 -1,-0.1 -10,-0.2 3,-0.0 0.824 87.4 -7.4 -60.5 -37.3 -1.7 15.5 37.2 76 84 A S S > S- 0 0 33 -10,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.954 73.9-100.6-153.3 165.1 1.2 13.2 37.9 77 85 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.878 122.6 56.7 -63.4 -31.7 2.1 9.4 37.9 78 86 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.936 108.8 46.2 -59.9 -45.9 1.5 9.3 41.7 79 87 A D H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.859 110.1 53.1 -64.2 -37.9 -2.0 10.7 41.1 80 88 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.919 111.1 47.5 -63.3 -43.3 -2.6 8.2 38.3 81 89 A C H X S+ 0 0 2 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.902 111.5 50.3 -64.2 -41.4 -1.6 5.4 40.8 82 90 A H H >< S+ 0 0 123 -4,-2.4 3,-1.2 2,-0.2 4,-0.4 0.937 110.7 48.7 -62.1 -48.2 -3.9 6.8 43.5 83 91 A Y H >X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.3 3,-1.6 0.903 110.2 52.2 -55.6 -47.9 -6.9 6.9 41.1 84 92 A H H 3< S+ 0 0 5 -4,-2.1 11,-2.2 1,-0.3 -1,-0.3 0.560 97.0 67.0 -71.3 -7.9 -6.2 3.3 39.9 85 93 A S T << S+ 0 0 34 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.606 115.1 28.8 -82.0 -16.6 -6.2 2.1 43.6 86 94 A Q T <4 S+ 0 0 108 -3,-1.6 2,-0.4 -4,-0.4 -2,-0.2 0.683 130.3 29.0-110.5 -37.1 -10.0 3.0 43.8 87 95 A E < - 0 0 119 -4,-2.2 -1,-0.3 1,-0.1 8,-0.1 -0.998 60.3-149.5-134.4 131.0 -11.2 2.5 40.2 88 96 A S > - 0 0 49 -2,-0.4 3,-2.1 -3,-0.1 5,-0.1 0.857 20.8-171.7 -62.6 -42.2 -9.7 0.1 37.5 89 97 A D T 3 S- 0 0 62 1,-0.3 -17,-0.1 -6,-0.1 -1,-0.1 0.838 80.3 -32.5 46.5 43.8 -10.7 2.5 34.6 90 98 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 -19,-0.0 -2,-0.1 0.098 110.4 123.5 104.9 -21.4 -9.7 -0.2 32.0 91 99 A L S < S- 0 0 15 -3,-2.1 -1,-0.4 1,-0.1 -3,-0.1 -0.366 75.8-109.1 -72.2 154.8 -6.8 -1.9 33.9 92 100 A V S S- 0 0 56 -2,-0.1 2,-0.3 -45,-0.1 -1,-0.1 0.740 92.7 -19.8 -50.1 -34.3 -6.9 -5.7 34.7 93 101 A C S S- 0 0 21 -5,-0.1 2,-0.2 -6,-0.1 -2,-0.1 -0.925 84.2 -70.1-162.7 178.2 -7.5 -5.0 38.5 94 102 A L - 0 0 71 -2,-0.3 2,-0.7 -9,-0.1 -9,-0.2 -0.559 50.9-107.5 -81.1 151.3 -7.2 -2.3 41.2 95 103 A L + 0 0 3 -11,-2.2 -65,-0.1 -14,-0.2 -66,-0.1 -0.726 50.7 163.7 -80.3 110.9 -3.8 -1.2 42.4 96 104 A K + 0 0 152 -67,-2.3 -66,-0.2 -2,-0.7 -1,-0.2 0.903 54.9 12.9 -96.0 -66.6 -3.6 -2.8 45.9 97 105 A K E -b 30 0A 105 -68,-1.0 -66,-2.0 -70,-0.1 -1,-0.3 -0.964 68.5-135.1-122.1 124.6 -0.1 -3.0 47.3 98 106 A P E -b 31 0A 29 0, 0.0 2,-0.7 0, 0.0 -66,-0.2 -0.407 12.1-136.7 -74.0 149.5 3.1 -1.2 45.9 99 107 A F - 0 0 24 -68,-3.1 -66,-0.2 -92,-0.2 2,-0.1 -0.936 27.7-149.8-102.7 106.4 6.4 -3.1 45.6 100 108 A N - 0 0 68 -2,-0.7 -93,-0.3 1,-0.1 3,-0.1 -0.422 28.7 -86.8 -75.2 154.5 9.0 -0.7 46.9 101 109 A R - 0 0 48 -95,-3.0 -1,-0.1 -93,-0.1 3,-0.1 -0.383 55.3-109.1 -56.0 128.2 12.5 -0.6 45.6 102 110 A P > - 0 0 33 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.151 49.8 -71.9 -57.7 162.8 14.5 -3.2 47.8 103 111 A Q T 3 S+ 0 0 199 1,-0.3 3,-0.1 -3,-0.1 0, 0.0 -0.337 124.9 20.3 -57.1 130.8 17.0 -1.8 50.3 104 112 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 -3,-0.1 136,-0.5 0.380 95.9 116.4 89.0 -2.2 20.1 -0.5 48.4 105 113 A V < - 0 0 15 -3,-2.2 -1,-0.2 134,-0.1 134,-0.2 -0.899 42.4-172.7-102.8 120.7 18.2 -0.0 45.0 106 114 A Q - 0 0 96 132,-2.7 -103,-0.0 -2,-0.5 131,-0.0 -0.680 42.7 -77.0-101.4 163.3 17.9 3.6 43.7 107 115 A P - 0 0 15 0, 0.0 2,-2.0 0, 0.0 -97,-0.3 -0.337 42.0-122.0 -59.9 139.1 15.7 4.5 40.6 108 116 A K B S+e 10 0B 9 -99,-2.5 -97,-2.5 1,-0.2 130,-0.1 -0.504 81.8 106.2 -80.5 70.6 17.6 3.6 37.4 109 117 A T + 0 0 29 -2,-2.0 -1,-0.2 128,-0.3 129,-0.1 0.184 40.5 125.5-137.2 18.9 17.5 7.3 36.1 110 118 A G S > S- 0 0 19 127,-0.3 4,-1.8 -3,-0.3 3,-0.4 0.047 78.7 -80.6 -73.6-174.2 21.0 8.9 36.4 111 119 A P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 138,-0.1 0.839 126.2 62.3 -56.5 -34.4 23.2 10.6 33.8 112 120 A F H > S+ 0 0 6 136,-0.3 4,-0.7 1,-0.2 3,-0.4 0.928 106.7 45.2 -54.4 -49.7 24.4 7.2 32.4 113 121 A E H >4 S+ 0 0 14 -3,-0.4 3,-1.0 1,-0.2 4,-0.4 0.910 109.7 56.3 -60.3 -42.6 20.8 6.4 31.4 114 122 A D H 3< S+ 0 0 120 -4,-1.8 4,-0.5 1,-0.2 3,-0.4 0.765 99.6 59.4 -59.9 -34.0 20.4 10.0 29.9 115 123 A L H 3X S+ 0 0 57 -4,-1.7 4,-2.1 -3,-0.4 -1,-0.2 0.751 85.4 81.4 -66.9 -30.6 23.4 9.6 27.6 116 124 A K H S+ 0 0 88 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.942 114.5 42.7 -59.1 -47.8 19.5 8.4 23.3 118 126 A N H > S+ 0 0 95 -4,-0.5 4,-3.1 -3,-0.2 -1,-0.2 0.877 111.6 55.2 -66.8 -35.0 22.3 10.6 22.0 119 127 A L H X S+ 0 0 37 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.898 109.5 46.3 -62.7 -44.2 24.8 7.7 21.8 120 128 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.917 113.4 49.7 -63.4 -44.5 22.5 5.7 19.6 121 129 A R H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 113.8 45.2 -60.2 -48.4 21.8 8.8 17.4 122 130 A E H X S+ 0 0 65 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.903 110.1 55.6 -62.4 -40.8 25.6 9.5 17.1 123 131 A Y H X S+ 0 0 61 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.850 109.9 45.1 -59.6 -40.0 26.2 5.7 16.4 124 132 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 6,-0.7 0.937 113.0 50.4 -69.2 -47.9 23.7 5.7 13.4 125 133 A K H X S+ 0 0 75 -4,-2.1 4,-1.0 4,-0.2 -2,-0.2 0.872 118.8 38.7 -54.0 -44.9 25.2 9.1 12.0 126 134 A Q H < S+ 0 0 112 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.900 119.9 42.5 -76.3 -45.9 28.7 7.7 12.2 127 135 A T H < S+ 0 0 68 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.894 134.7 15.7 -70.9 -44.3 28.1 4.0 11.1 128 136 A W H < S- 0 0 36 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.434 91.2-127.0-113.9 -1.1 25.7 4.7 8.2 129 137 A N < + 0 0 123 -4,-1.0 2,-0.2 -5,-0.5 -4,-0.2 0.831 51.1 167.3 57.1 35.3 26.1 8.5 7.5 130 138 A L + 0 0 8 -6,-0.7 2,-0.3 4,-0.1 -1,-0.2 -0.571 10.7 174.3 -84.1 146.5 22.4 8.9 7.8 131 139 A Q >> - 0 0 147 -2,-0.2 4,-1.0 -7,-0.0 3,-0.8 -0.929 43.5 -2.9-144.7 165.7 20.6 12.3 8.1 132 140 A G H 3> S- 0 0 48 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.208 125.9 -8.9 53.7-132.7 17.1 13.8 8.3 133 141 A Q H 3> S+ 0 0 133 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.841 134.2 58.2 -67.0 -36.3 14.2 11.3 7.9 134 142 A A H <> S+ 0 0 22 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.923 110.5 45.7 -56.7 -46.9 16.4 8.3 6.9 135 143 A L H X S+ 0 0 8 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.917 114.5 46.3 -59.2 -52.8 18.3 8.8 10.3 136 144 A E H X S+ 0 0 54 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.865 113.4 49.9 -60.0 -40.1 15.0 9.2 12.3 137 145 A Q H X S+ 0 0 21 -4,-2.7 4,-1.5 2,-0.2 5,-0.2 0.815 108.9 52.0 -70.3 -32.6 13.4 6.2 10.6 138 146 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.948 112.9 45.5 -64.1 -50.7 16.5 4.0 11.3 139 147 A I H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.897 109.4 54.2 -60.2 -49.2 16.4 4.9 15.0 140 148 A I H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 117.7 34.5 -58.8 -43.6 12.6 4.4 15.5 141 149 A S H < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 127.7 37.3 -77.2 -40.0 12.6 0.8 14.1 142 150 A Q H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 3,-0.3 0.365 74.6 116.0-100.1 7.1 16.0 -0.2 15.5 143 151 A K H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.851 81.9 46.4 -43.2 -52.2 16.2 1.5 18.9 144 152 A P H > S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.933 116.6 44.0 -62.0 -42.6 16.3 -1.9 20.9 145 153 A Q H > S+ 0 0 38 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.895 114.4 50.8 -65.5 -40.9 19.0 -3.4 18.5 146 154 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.820 106.4 54.3 -67.0 -34.0 21.0 -0.0 18.6 147 155 A E H X S+ 0 0 21 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.884 110.1 47.1 -68.0 -36.8 20.9 0.1 22.5 148 156 A K H < S+ 0 0 141 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.890 113.1 50.6 -66.5 -43.4 22.4 -3.4 22.5 149 157 A L H >< S+ 0 0 52 -4,-1.9 3,-1.6 1,-0.2 4,-0.2 0.895 105.4 52.7 -62.7 -49.3 25.1 -2.3 20.0 150 158 A I H >< S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.793 100.5 64.8 -60.7 -28.1 26.3 0.9 21.8 151 159 A A T 3< S+ 0 0 24 -4,-1.0 -1,-0.3 1,-0.2 79,-0.2 0.660 101.1 50.7 -67.5 -19.1 26.8 -1.3 25.0 152 160 A T T < S+ 0 0 111 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.351 84.3 116.2-100.2 1.1 29.6 -3.2 23.1 153 161 A T S < S- 0 0 51 -3,-1.3 77,-0.2 -4,-0.2 5,-0.1 -0.364 82.5 -79.2 -72.2 152.9 31.5 -0.1 21.9 154 162 A A > - 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