==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-09 3GUB . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.K.MCNAMARA,A.M.SCHUMACHER,J.S.SCHAVOCKY,D.M.WATTERSON, . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.7 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 0.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 0 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 1 1 2 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 . 1 0 1 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 2 A T 0 0 121 0, 0.0 2,-0.2 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 143.8 -15.2 -2.0 10.1 2 3 A V - 0 0 99 81,-0.0 2,-0.2 59,-0.0 3,-0.0 -0.670 360.0-150.9-105.0 156.9 -18.6 -3.6 10.0 3 4 A F - 0 0 17 -2,-0.2 79,-0.2 1,-0.1 2,-0.2 -0.678 42.1 -61.1-119.9 173.4 -21.8 -2.6 8.1 4 5 A R B -a 82 0A 84 77,-1.8 79,-2.7 -2,-0.2 4,-0.1 -0.377 43.9-169.5 -59.5 122.3 -25.6 -2.9 8.7 5 6 A Q + 0 0 131 77,-0.2 -1,-0.1 -2,-0.2 77,-0.1 0.389 47.7 110.4-104.6 7.4 -26.4 -6.6 8.8 6 7 A E S S- 0 0 89 1,-0.1 2,-0.3 2,-0.1 77,-0.3 -0.397 87.8 -84.8 -67.8 156.8 -30.2 -6.4 8.6 7 8 A N > - 0 0 91 1,-0.2 3,-1.9 -2,-0.1 4,-0.4 -0.500 32.5-141.9 -66.7 125.9 -31.7 -7.7 5.3 8 9 A V G >> S+ 0 0 13 -2,-0.3 4,-1.9 1,-0.3 3,-1.3 0.797 99.0 65.3 -61.4 -27.3 -31.7 -4.8 2.8 9 10 A D G 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.615 90.3 65.2 -71.5 -13.5 -35.1 -5.9 1.5 10 11 A D G <4 S+ 0 0 102 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.719 117.5 25.4 -73.7 -21.8 -36.6 -5.1 4.9 11 12 A Y T <4 S+ 0 0 79 -3,-1.3 21,-3.0 -4,-0.4 22,-0.4 0.554 125.4 38.8-120.7 -18.9 -35.8 -1.4 4.3 12 13 A Y E < -B 31 0A 2 -4,-1.9 2,-0.4 19,-0.2 19,-0.2 -0.982 58.2-145.7-137.3 147.6 -35.7 -1.1 0.5 13 14 A D E -B 30 0A 84 17,-2.2 17,-2.2 -2,-0.3 2,-0.3 -0.936 25.0-143.9-103.3 137.6 -37.4 -2.3 -2.6 14 15 A T E +B 29 0A 68 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.708 22.7 169.7 -99.4 154.3 -35.2 -2.8 -5.7 15 16 A G E + 0 0 46 13,-3.3 -1,-0.1 1,-0.4 14,-0.0 -0.093 45.1 5.4-127.4-131.8 -36.2 -2.2 -9.3 16 17 A E E S- 0 0 120 11,-0.1 12,-3.0 1,-0.1 2,-0.5 -0.166 70.5-110.6 -59.2 148.4 -34.5 -2.0 -12.7 17 18 A E E -B 27 0A 109 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.721 27.5-169.6 -77.7 128.4 -30.9 -2.9 -13.1 18 19 A L E - 0 0 69 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.746 54.3 -61.3 -94.3 -26.6 -28.9 0.3 -13.9 19 20 A G E -B 26 0A 25 7,-1.5 7,-3.1 2,-0.0 -1,-0.3 -0.981 49.9-121.3 165.9-168.8 -25.6 -1.4 -14.9 20 21 A S E -B 25 0A 93 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.986 7.1-157.8-158.8 160.1 -22.6 -3.5 -13.8 21 22 A G - 0 0 32 3,-4.4 3,-0.1 -2,-0.3 5,-0.0 -0.405 47.5 -87.9-119.8-155.1 -18.9 -4.1 -13.1 22 23 A Q S S+ 0 0 197 1,-0.3 3,-0.0 -2,-0.2 -2,-0.0 0.904 129.3 21.0 -54.6 -63.2 -17.0 -7.4 -12.9 23 24 A F S S+ 0 0 67 21,-0.1 21,-1.4 19,-0.0 2,-0.3 -0.614 123.1 49.4 127.5 -53.9 -17.6 -7.6 -10.0 24 25 A A E - C 0 43A 8 19,-0.2 -3,-4.4 -3,-0.1 2,-0.4 -0.969 48.4-152.6-168.4 139.8 -20.6 -5.5 -9.1 25 26 A V E -BC 20 42A 39 17,-1.6 17,-3.1 -2,-0.3 2,-0.5 -0.982 13.0-148.1-125.3 141.5 -24.2 -4.9 -10.2 26 27 A V E -BC 19 41A 37 -7,-3.1 -8,-2.6 -2,-0.4 -7,-1.5 -0.939 17.4-177.7-115.1 127.2 -26.1 -1.6 -9.7 27 28 A K E -BC 17 40A 54 13,-2.4 13,-3.1 -2,-0.5 -10,-0.2 -0.958 29.6-114.5-122.4 143.9 -29.9 -1.6 -9.1 28 29 A K E + C 0 39A 61 -12,-3.0 -13,-3.3 -2,-0.4 2,-0.3 -0.473 43.5 178.1 -64.7 140.8 -32.4 1.1 -8.7 29 30 A C E -BC 14 38A 4 9,-2.4 9,-2.4 -15,-0.3 2,-0.4 -0.953 24.3-143.5-144.7 168.1 -34.0 1.0 -5.2 30 31 A R E -BC 13 37A 117 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.4 -0.999 21.6-127.2-134.6 126.8 -36.5 2.9 -3.0 31 32 A E E > -B 12 0A 22 5,-3.1 4,-2.4 -2,-0.4 3,-0.5 -0.621 15.7-146.9 -75.8 127.2 -36.2 3.5 0.8 32 33 A K T 4 S+ 0 0 96 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.873 93.0 49.5 -63.2 -39.9 -39.4 2.3 2.4 33 34 A S T 4 S+ 0 0 102 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.705 126.9 21.2 -75.4 -24.6 -39.4 4.9 5.2 34 35 A T T 4 S- 0 0 77 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.571 89.9-129.7-116.3 -19.7 -38.8 8.0 3.1 35 36 A G < + 0 0 22 -4,-2.4 2,-0.2 1,-0.3 -3,-0.1 0.477 60.3 143.4 73.6 3.3 -40.0 7.0 -0.4 36 37 A L - 0 0 97 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.3 -0.474 45.3-129.7 -79.3 148.2 -36.6 8.3 -1.7 37 38 A Q E +C 30 0A 107 -7,-0.2 57,-0.5 -2,-0.2 -7,-0.2 -0.721 30.4 164.7-104.6 146.9 -34.8 6.6 -4.5 38 39 A Y E -CD 29 93A 32 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.4 -0.776 36.6-110.5-140.0 175.3 -31.2 5.5 -4.7 39 40 A A E -CD 28 92A 18 53,-2.9 53,-2.9 -2,-0.2 2,-0.5 -0.997 28.6-152.8-116.0 129.8 -28.8 3.3 -6.6 40 41 A A E -CD 27 91A 1 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.7 -0.899 1.2-157.2-105.6 122.7 -27.5 0.2 -4.8 41 42 A K E -CD 26 90A 24 49,-3.3 49,-2.7 -2,-0.5 2,-0.7 -0.886 7.4-157.4 -99.3 113.3 -24.2 -1.2 -5.8 42 43 A F E -CD 25 89A 29 -17,-3.1 -17,-1.6 -2,-0.7 2,-0.5 -0.841 10.6-167.6 -93.2 113.6 -23.9 -5.0 -4.8 43 44 A I E -CD 24 88A 1 45,-3.2 45,-2.1 -2,-0.7 2,-0.4 -0.901 19.6-125.9-107.0 124.4 -20.3 -5.9 -4.5 44 45 A K E - D 0 87A 105 -21,-1.4 11,-3.1 -2,-0.5 43,-0.2 -0.542 24.4-136.4 -69.6 126.1 -19.4 -9.6 -4.3 45 46 A K B -f 55 0B 45 41,-2.8 2,-0.2 -2,-0.4 11,-0.2 -0.419 25.1 -97.8 -74.3 152.4 -17.2 -10.5 -1.3 46 47 A R - 0 0 94 9,-1.3 8,-0.2 8,-0.1 -1,-0.1 -0.538 25.7-153.5 -64.8 136.8 -14.2 -12.9 -1.4 47 48 A R S S+ 0 0 91 6,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.628 76.9 13.4 -90.4 -21.4 -15.2 -16.3 -0.3 48 49 A T S S- 0 0 76 5,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.929 77.8-112.7-142.2 170.2 -11.7 -17.3 0.9 49 50 A K S S+ 0 0 209 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.869 117.2 47.0 -71.7 -35.5 -8.4 -15.4 1.7 50 51 A S S S+ 0 0 107 -3,-0.0 -1,-0.2 2,-0.0 2,-0.0 0.504 89.5 114.6 -82.8 -6.8 -6.6 -17.0 -1.2 51 52 A S - 0 0 28 -3,-0.4 -5,-0.1 1,-0.1 0, 0.0 -0.304 51.6-160.4 -71.8 148.7 -9.4 -16.5 -3.8 52 53 A R S S+ 0 0 209 3,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.411 70.1 88.1-103.4 -3.8 -9.0 -14.2 -6.8 53 54 A R S S+ 0 0 186 2,-0.1 -6,-0.3 -5,-0.0 -5,-0.3 -0.704 80.7 18.3 -93.7 153.1 -12.8 -13.8 -7.2 54 55 A G S S- 0 0 29 -2,-0.3 2,-0.4 -8,-0.2 -9,-0.2 -0.040 96.1 -66.9 75.6 174.6 -14.8 -11.1 -5.4 55 56 A V B -f 45 0B 26 -11,-3.1 -9,-1.3 -32,-0.2 -2,-0.1 -0.866 49.9-117.7-103.3 132.6 -13.5 -8.0 -3.8 56 57 A S > - 0 0 23 -2,-0.4 4,-2.3 -11,-0.2 5,-0.2 -0.267 21.7-118.5 -62.8 150.9 -11.3 -8.2 -0.7 57 58 A R H > S+ 0 0 89 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 115.3 57.1 -57.9 -38.3 -12.5 -6.6 2.5 58 59 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 108.9 46.1 -56.6 -48.8 -9.6 -4.2 2.5 59 60 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.881 113.4 49.0 -63.5 -40.3 -10.6 -3.0 -0.9 60 61 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 111.6 48.6 -63.9 -46.2 -14.3 -2.7 0.1 61 62 A E H X S+ 0 0 52 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.858 109.1 53.5 -65.0 -36.8 -13.4 -0.8 3.3 62 63 A R H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.940 109.5 48.0 -59.6 -50.8 -11.2 1.7 1.4 63 64 A E H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.928 113.9 46.8 -58.5 -46.3 -14.0 2.5 -1.1 64 65 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 111.0 51.7 -62.2 -41.6 -16.5 3.0 1.7 65 66 A S H X S+ 0 0 71 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.904 112.8 45.3 -61.6 -42.8 -14.0 5.2 3.7 66 67 A I H >X S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 4,-0.7 0.945 111.6 52.0 -67.3 -48.6 -13.3 7.4 0.7 67 68 A L H >< S+ 0 0 11 -4,-2.7 3,-1.0 1,-0.3 11,-0.5 0.867 102.2 60.1 -58.4 -37.4 -17.0 7.7 -0.2 68 69 A K H 3< S+ 0 0 134 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.767 102.1 54.8 -62.7 -21.4 -17.9 8.8 3.4 69 70 A E H << S+ 0 0 78 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.704 92.8 92.4 -79.6 -22.7 -15.6 11.8 3.0 70 71 A I << + 0 0 8 -3,-1.0 8,-0.4 -4,-0.7 2,-0.2 -0.595 30.0 146.5-100.3 140.7 -17.2 13.3 -0.1 71 72 A Q + 0 0 157 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.757 25.2 126.5-160.5 108.8 -19.9 15.8 -0.8 72 73 A H > - 0 0 45 3,-0.5 3,-1.9 -2,-0.2 53,-0.0 -0.956 65.0-110.2-161.4 146.6 -19.7 18.1 -3.9 73 74 A P T 3 S+ 0 0 93 0, 0.0 52,-0.1 0, 0.0 48,-0.0 0.763 116.1 52.3 -57.3 -26.5 -22.2 18.7 -6.7 74 75 A N T 3 S+ 0 0 18 83,-0.1 84,-2.5 50,-0.1 2,-0.3 0.201 104.8 63.2-100.0 20.8 -20.0 16.9 -9.3 75 76 A V B < S-g 158 0C 0 -3,-1.9 -3,-0.5 82,-0.3 84,-0.2 -0.989 85.0-105.0-141.0 149.0 -19.6 13.7 -7.3 76 77 A I - 0 0 20 82,-2.0 2,-0.3 -2,-0.3 -6,-0.1 -0.316 30.8-138.0 -66.1 148.3 -21.9 10.9 -6.0 77 78 A T - 0 0 38 -6,-0.1 16,-2.5 -2,-0.0 2,-0.4 -0.852 11.5-128.1-105.1 151.2 -22.9 10.8 -2.3 78 79 A L E - E 0 92A 37 -11,-0.5 14,-0.3 -8,-0.4 3,-0.1 -0.824 23.2-179.3 -93.0 135.7 -23.0 7.6 -0.2 79 80 A H E - 0 0 73 12,-3.0 2,-0.3 -2,-0.4 13,-0.2 0.872 59.5 -20.2 -98.9 -51.5 -26.3 7.0 1.7 80 81 A E E - E 0 91A 34 11,-1.9 11,-2.9 2,-0.0 2,-0.4 -0.984 50.4-139.4-154.9 160.4 -26.0 3.7 3.6 81 82 A V E + E 0 90A 12 -2,-0.3 -77,-1.8 9,-0.2 2,-0.3 -0.991 20.2 177.5-130.6 127.4 -23.9 0.5 3.6 82 83 A Y E -aE 4 89A 1 7,-2.7 7,-3.0 -2,-0.4 2,-0.3 -0.777 5.7-172.0-115.7 164.1 -25.4 -3.0 4.2 83 84 A E E + E 0 88A 6 -79,-2.7 2,-0.2 -2,-0.3 5,-0.2 -0.996 12.0 169.8-152.8 155.8 -23.7 -6.4 4.2 84 85 A N - 0 0 74 3,-2.6 -78,-0.1 -2,-0.3 -81,-0.0 -0.815 58.5 -69.5-144.3-167.8 -24.3 -10.1 4.3 85 86 A K S S+ 0 0 195 -2,-0.2 3,-0.1 1,-0.2 -40,-0.0 0.843 129.5 26.8 -57.0 -33.4 -22.3 -13.3 3.8 86 87 A T S S+ 0 0 76 1,-0.1 -41,-2.8 -42,-0.1 2,-0.3 0.798 120.7 31.3-102.8 -30.8 -22.1 -12.7 -0.0 87 88 A D E -D 44 0A 18 -43,-0.2 -3,-2.6 2,-0.0 2,-0.4 -0.902 50.0-146.0-129.3 152.1 -22.3 -9.0 -0.7 88 89 A V E -DE 43 83A 0 -45,-2.1 -45,-3.2 -2,-0.3 2,-0.6 -0.968 29.2-153.1-105.3 139.2 -21.6 -5.5 0.6 89 90 A I E -DE 42 82A 2 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.7 -0.946 6.9-163.6-120.1 109.7 -24.3 -3.3 -0.6 90 91 A L E -DE 41 81A 8 -49,-2.7 -49,-3.3 -2,-0.6 2,-0.6 -0.866 6.1-160.3 -98.9 114.5 -23.5 0.4 -1.1 91 92 A I E +DE 40 80A 1 -11,-2.9 -12,-3.0 -2,-0.7 -11,-1.9 -0.856 28.8 148.4 -95.1 120.9 -26.6 2.5 -1.3 92 93 A G E -DE 39 78A 12 -53,-2.9 -53,-2.9 -2,-0.6 -14,-0.2 -0.784 45.6 -41.5-147.3-170.4 -25.9 5.9 -2.9 93 94 A E E -D 38 0A 59 -16,-2.5 2,-0.3 -2,-0.2 -55,-0.2 -0.306 50.8-133.6 -67.3 124.6 -27.1 8.8 -5.0 94 95 A L - 0 0 39 -57,-0.5 2,-0.5 -2,-0.1 -1,-0.1 -0.591 14.6-163.3 -72.4 133.3 -29.2 7.9 -8.0 95 96 A V > - 0 0 15 -2,-0.3 3,-0.5 1,-0.1 51,-0.2 -0.969 6.8-170.5-121.3 113.5 -28.1 9.7 -11.2 96 97 A A T 3 + 0 0 70 -2,-0.5 51,-0.2 51,-0.4 52,-0.1 0.447 62.8 73.3 -91.7 -6.9 -31.0 9.3 -13.6 97 98 A G T 3 S- 0 0 7 49,-2.5 -1,-0.2 1,-0.3 50,-0.2 0.229 93.0-119.2-101.6 10.3 -29.8 10.6 -17.0 98 99 A G < - 0 0 28 -3,-0.5 48,-3.2 48,-0.2 -1,-0.3 0.002 44.5 -37.8 82.9 176.9 -27.5 7.8 -18.0 99 100 A E B > -H 145 0C 49 46,-0.2 4,-1.7 1,-0.1 3,-0.4 -0.419 40.5-129.7 -73.3 145.4 -23.8 7.6 -18.8 100 101 A L H > S+ 0 0 0 44,-3.0 4,-2.6 41,-0.9 5,-0.2 0.866 112.3 64.5 -55.5 -35.4 -21.9 10.2 -20.7 101 102 A F H > S+ 0 0 95 40,-1.2 4,-1.5 43,-0.3 -1,-0.2 0.890 105.3 42.1 -53.1 -43.1 -20.7 7.2 -22.8 102 103 A D H > S+ 0 0 79 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.937 110.6 56.0 -82.2 -46.4 -24.3 6.7 -23.9 103 104 A F H < S+ 0 0 36 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.840 108.1 48.7 3.9 -76.7 -24.9 10.3 -24.5 104 105 A L H < S+ 0 0 14 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.870 110.2 51.0 -66.9 -36.5 -21.9 10.5 -26.8 105 106 A A H < S+ 0 0 47 -4,-1.5 2,-0.3 1,-0.3 3,-0.3 0.834 106.7 61.2 -65.9 -32.1 -23.1 7.4 -28.7 106 107 A E S < S+ 0 0 162 -4,-1.7 -1,-0.3 1,-0.5 2,-0.1 -0.827 125.7 6.6-140.8 91.3 -26.6 9.0 -29.1 107 108 A K S S- 0 0 80 -3,-0.3 -1,-0.5 -2,-0.3 2,-0.3 0.620 83.6-161.5 -87.5 173.7 -26.0 11.5 -30.7 108 109 A E + 0 0 114 -3,-0.3 -4,-0.1 -2,-0.1 -3,-0.1 -0.623 58.8 79.2-125.1 73.6 -22.3 11.4 -31.7 109 110 A S - 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0 0 29 -2,-0.3 3,-0.5 1,-0.1 -9,-0.1 -0.783 20.2-145.8 -93.4 124.3 -10.3 6.9 -28.8 215 216 A P S S+ 0 0 15 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 0.768 90.0 25.6 -69.2 -29.0 -6.8 8.2 -29.1 216 217 A F S S+ 0 0 1 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.374 83.9 139.1-112.5 -0.3 -4.8 5.1 -28.1 217 218 A L + 0 0 97 -3,-0.5 2,-0.2 -36,-0.1 4,-0.1 -0.270 24.7 178.0 -63.0 124.6 -7.1 2.2 -29.0 218 219 A G - 0 0 18 2,-0.3 6,-0.1 -2,-0.1 -1,-0.1 -0.472 46.1 -95.6-107.2-174.4 -5.6 -0.9 -30.6 219 220 A D S S+ 0 0 158 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.672 109.2 30.6 -79.2 -17.8 -7.1 -4.1 -31.8 220 221 A T S > S- 0 0 46 1,-0.1 4,-2.1 0, 0.0 -2,-0.3 -0.927 84.6-114.5-134.3 161.7 -6.2 -5.9 -28.5 221 222 A K H > S+ 0 0 109 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.905 118.4 57.7 -60.9 -41.0 -5.8 -4.6 -24.9 222 223 A Q H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 107.7 45.5 -46.7 -55.3 -2.1 -5.4 -25.3 223 224 A E H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 110.6 53.6 -65.1 -39.7 -1.7 -3.1 -28.2 224 225 A T H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.951 109.9 47.8 -57.8 -50.2 -3.7 -0.3 -26.5 225 226 A L H X S+ 0 0 22 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.901 111.0 50.2 -62.4 -40.8 -1.4 -0.4 -23.5 226 227 A A H X S+ 0 0 59 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.895 109.9 51.8 -63.5 -38.4 1.7 -0.4 -25.7 227 228 A N H <>S+ 0 0 40 -4,-2.2 5,-2.9 -11,-0.2 4,-0.5 0.915 110.1 49.2 -59.6 -46.8 0.2 2.7 -27.6 228 229 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.945 109.9 50.3 -57.7 -51.0 -0.4 4.5 -24.2 229 230 A S H 3<5S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 114.9 43.5 -61.4 -34.7 3.2 3.8 -23.0 230 231 A A T 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.440 108.4-123.5 -86.7 -2.4 4.7 5.1 -26.2 231 232 A V T < 5 + 0 0 42 -3,-1.5 2,-1.4 -4,-0.5 -3,-0.2 0.931 46.4 174.2 53.3 48.8 2.3 8.1 -26.3 232 233 A N < + 0 0 97 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.668 27.5 110.2 -92.2 80.0 1.2 6.9 -29.8 233 234 A Y - 0 0 46 -2,-1.4 2,-0.3 -3,-0.2 -17,-0.1 -0.981 37.1-179.2-143.5 157.6 -1.7 9.3 -30.6 234 235 A E - 0 0 120 -2,-0.3 2,-1.1 -19,-0.3 -2,-0.0 -0.976 37.5-100.2-151.0 164.3 -2.2 12.1 -33.1 235 236 A F - 0 0 23 -2,-0.3 2,-0.2 5,-0.0 13,-0.0 -0.746 37.9-143.0 -90.1 101.1 -5.0 14.5 -34.0 236 237 A E >> - 0 0 80 -2,-1.1 4,-2.9 1,-0.2 3,-1.1 -0.381 5.2-141.4 -64.6 124.0 -6.6 13.1 -37.2 237 238 A D H 3> S+ 0 0 115 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.868 100.1 64.0 -55.2 -36.5 -7.6 16.0 -39.5 238 239 A E H 34 S+ 0 0 172 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.869 117.9 26.7 -56.5 -34.9 -10.8 14.2 -40.5 239 240 A Y H <4 S+ 0 0 110 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.795 134.0 32.4 -94.5 -32.4 -11.9 14.5 -36.8 240 241 A F H >< S+ 0 0 0 -4,-2.9 3,-2.6 1,-0.1 -3,-0.2 0.430 76.5 111.2-110.9 -1.2 -10.0 17.7 -35.7 241 242 A S T 3< S+ 0 0 76 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.751 94.2 30.9 -52.8 -33.9 -9.7 19.9 -38.8 242 243 A N T 3 S+ 0 0 153 -3,-0.2 2,-0.4 -5,-0.2 -1,-0.3 0.017 92.7 112.7-114.7 25.6 -12.1 22.5 -37.4 243 244 A T S < S- 0 0 24 -3,-2.6 -3,-0.0 1,-0.1 5,-0.0 -0.817 77.5-101.1 -90.1 140.4 -11.3 22.0 -33.7 244 245 A S > - 0 0 40 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.208 17.8-124.6 -65.8 149.5 -9.5 25.1 -32.2 245 246 A A H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.838 111.9 59.1 -59.9 -33.9 -5.8 25.0 -31.6 246 247 A L H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 102.4 52.1 -64.7 -35.9 -6.4 25.9 -27.9 247 248 A A H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.927 111.8 46.7 -62.8 -47.9 -8.4 22.7 -27.5 248 249 A K H X S+ 0 0 42 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.897 109.5 54.3 -58.8 -42.9 -5.6 20.7 -29.0 249 250 A D H X S+ 0 0 45 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.934 106.9 52.3 -54.9 -47.3 -3.1 22.6 -26.7 250 251 A F H X S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.931 112.1 43.7 -54.3 -51.6 -5.2 21.5 -23.7 251 252 A I H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.6 0.930 110.3 57.1 -64.1 -42.8 -5.1 17.8 -24.6 252 253 A R H 3< S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 104.3 52.2 -56.9 -34.4 -1.4 18.0 -25.5 253 254 A R H 3< S+ 0 0 133 -4,-1.8 10,-2.4 -3,-0.3 -1,-0.3 0.551 113.9 43.0 -83.9 -8.6 -0.5 19.2 -22.0 254 255 A L H << S+ 0 0 0 -3,-1.6 2,-1.9 -4,-0.5 -2,-0.2 0.737 101.0 67.4 -98.6 -35.9 -2.4 16.4 -20.4 255 256 A L S < S+ 0 0 5 -4,-2.5 2,-0.4 -52,-0.1 -1,-0.1 -0.413 73.3 133.2 -86.0 64.4 -1.2 13.5 -22.6 256 257 A V - 0 0 39 -2,-1.9 6,-0.1 -3,-0.2 -25,-0.1 -0.947 53.8-144.2-120.8 128.3 2.4 13.8 -21.4 257 258 A K S S+ 0 0 99 -2,-0.4 -71,-0.2 4,-0.1 -1,-0.1 0.922 85.6 70.9 -61.7 -47.6 4.4 10.6 -20.4 258 259 A D S >> S- 0 0 76 1,-0.2 3,-2.0 -73,-0.1 4,-0.6 -0.614 72.9-154.3 -75.6 112.0 6.3 12.2 -17.5 259 260 A P G >4 S+ 0 0 37 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.801 92.5 62.3 -61.3 -26.3 3.7 12.7 -14.8 260 261 A K G 34 S+ 0 0 93 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.734 106.4 44.6 -68.2 -21.7 5.8 15.5 -13.3 261 262 A K G <4 S+ 0 0 148 -3,-2.0 -1,-0.2 2,-0.1 2,-0.1 0.459 92.3 104.5-100.9 -3.3 5.5 17.5 -16.6 262 263 A R S << S- 0 0 8 -3,-0.7 -8,-0.2 -4,-0.6 -9,-0.1 -0.435 83.8 -94.9 -79.7 147.1 1.7 16.9 -17.0 263 264 A M - 0 0 19 -10,-2.4 -1,-0.1 -13,-0.1 2,-0.1 -0.407 39.3-137.2 -59.8 139.7 -0.8 19.7 -16.2 264 265 A T > - 0 0 67 1,-0.1 4,-2.5 -2,-0.1 5,-0.1 -0.396 29.2 -98.7 -84.1 171.8 -2.2 19.5 -12.7 265 266 A I H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.924 127.3 48.1 -58.5 -45.4 -5.9 20.0 -11.9 266 267 A Q H > S+ 0 0 112 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.928 110.4 51.7 -62.3 -41.0 -5.2 23.6 -10.9 267 268 A D H >> S+ 0 0 83 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.907 107.6 54.4 -56.4 -45.0 -3.2 24.2 -14.1 268 269 A S H 3< S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.3 6,-0.2 0.858 105.6 51.1 -63.3 -37.3 -6.1 22.8 -16.1 269 270 A L H 3< S+ 0 0 30 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.726 112.5 46.6 -71.5 -25.5 -8.6 25.2 -14.6 270 271 A Q H << S+ 0 0 108 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.519 83.6 118.3 -90.3 -10.2 -6.3 28.2 -15.5 271 272 A H S >X S- 0 0 11 -4,-0.9 4,-2.8 -3,-0.4 3,-2.2 -0.329 75.8-120.3 -61.9 135.9 -5.6 27.0 -19.0 272 273 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.724 111.8 59.2 -55.8 -20.3 -6.9 29.6 -21.6 273 274 A W T 34 S+ 0 0 28 -27,-0.2 -26,-0.1 1,-0.1 -2,-0.1 0.812 121.3 25.9 -73.4 -26.8 -9.3 27.1 -23.2 274 275 A I T <4 S+ 0 0 7 -3,-2.2 -1,-0.1 -6,-0.2 -5,-0.1 0.815 97.0 93.7-103.6 -45.7 -11.0 26.6 -19.8 275 276 A K < 0 0 112 -4,-2.8 -5,-0.1 -7,-0.1 -6,-0.0 -0.373 360.0 360.0 -61.1 125.8 -10.5 29.9 -17.8 276 277 A P 0 0 164 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 360.0 360.0 -76.2 360.0 -13.4 32.2 -18.4 277 ! 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 0.0 278 292 A Q 0 0 42 0, 0.0 -53,-0.1 0, 0.0 -100,-0.0 0.000 360.0 360.0 360.0 -31.3 -5.4 -5.4 -18.1 279 293 A F 0 0 217 -58,-0.1 0, 0.0 -57,-0.0 0, 0.0 -0.549 360.0 360.0-107.2 360.0 -5.4 -9.0 -19.6