==== 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 28-MAR-09 3GU6 . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.K.MCNAMARA,J.S.SCHAVOCKY,D.M.WATTERSON,J.S.BRUNZELLE . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 15.4 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 . 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.1 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 1 0 2 1 0 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 0 110 0, 0.0 2,-0.3 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 131.0 15.3 -2.1 -9.7 2 3 A V - 0 0 116 81,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.732 360.0-153.8-102.6 148.3 18.7 -3.8 -10.0 3 4 A F - 0 0 16 -2,-0.3 79,-0.2 1,-0.1 2,-0.2 -0.590 39.1 -64.9-115.1 173.9 21.9 -2.7 -8.1 4 5 A R B -a 82 0A 87 77,-1.7 79,-2.5 -2,-0.2 -1,-0.1 -0.410 42.6-167.7 -63.4 127.5 25.6 -3.0 -8.8 5 6 A Q + 0 0 136 77,-0.2 -1,-0.1 -2,-0.2 77,-0.1 0.394 46.8 111.9-108.8 7.8 26.6 -6.7 -8.7 6 7 A E S S- 0 0 92 1,-0.1 2,-0.3 2,-0.1 77,-0.3 -0.352 87.0 -84.0 -64.8 155.5 30.4 -6.5 -8.5 7 8 A N > - 0 0 88 1,-0.2 3,-1.8 75,-0.1 4,-0.4 -0.517 31.7-143.3 -65.8 124.6 31.9 -7.7 -5.2 8 9 A V G >> S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.3 3,-1.9 0.832 99.1 67.1 -57.8 -31.0 31.8 -4.8 -2.8 9 10 A D G 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.698 89.6 63.8 -67.4 -17.2 35.1 -6.0 -1.4 10 11 A D G <4 S+ 0 0 102 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.695 118.4 25.6 -72.7 -18.2 36.7 -5.1 -4.8 11 12 A Y T <4 S+ 0 0 74 -3,-1.9 21,-2.8 -4,-0.4 22,-0.5 0.598 123.1 40.0-121.3 -18.9 35.9 -1.5 -4.0 12 13 A Y E < -B 31 0A 2 -4,-2.1 2,-0.4 19,-0.3 19,-0.2 -0.963 56.4-148.1-135.1 147.6 35.6 -1.1 -0.2 13 14 A D E -B 30 0A 86 17,-2.2 17,-2.4 -2,-0.3 2,-0.3 -0.945 24.3-146.2-107.8 143.0 37.4 -2.3 2.9 14 15 A T E +B 29 0A 67 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.732 24.8 157.3-108.2 158.2 35.3 -2.8 6.0 15 16 A G E + 0 0 49 13,-3.0 -1,-0.1 1,-0.4 14,-0.1 -0.149 46.1 24.2-138.1-125.4 36.1 -2.3 9.7 16 17 A E E S- 0 0 121 11,-0.1 12,-3.2 1,-0.1 2,-0.4 -0.170 71.2-118.3 -53.1 138.2 34.3 -1.6 12.9 17 18 A E E -B 27 0A 92 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.705 26.2-172.2 -80.2 130.4 30.7 -2.7 13.2 18 19 A L E - 0 0 56 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.726 62.9 -12.1 -96.2 -28.8 28.6 0.4 13.8 19 20 A G E -B 26 0A 25 7,-1.6 7,-2.8 2,-0.0 2,-0.4 -0.972 52.5-147.7-170.2 161.3 25.3 -1.3 14.5 20 21 A S E +B 25 0A 99 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 21.7 171.1-144.7 127.4 23.4 -4.6 14.3 21 22 A G - 0 0 46 3,-3.5 -2,-0.0 -2,-0.4 0, 0.0 -0.712 49.9 -75.7-130.8-178.4 19.7 -5.2 13.7 22 23 A V S S- 0 0 136 1,-0.2 32,-0.1 -2,-0.2 -1,-0.0 0.914 124.6 -5.6 -45.8 -60.6 17.1 -7.9 13.0 23 24 A F S S+ 0 0 68 30,-0.1 21,-3.1 31,-0.0 2,-0.4 0.185 125.8 74.4-125.0 17.0 18.1 -8.5 9.3 24 25 A A E - C 0 43A 22 19,-0.2 -3,-3.5 30,-0.1 2,-0.4 -0.978 50.3-171.4-130.4 144.2 20.7 -5.6 8.9 25 26 A V E -BC 20 42A 25 17,-1.7 17,-3.2 -2,-0.4 2,-0.5 -0.998 12.2-152.8-130.7 137.8 24.3 -5.1 10.0 26 27 A V E -BC 19 41A 35 -7,-2.8 -8,-2.8 -2,-0.4 -7,-1.6 -0.956 15.0-178.6-117.7 126.4 26.1 -1.8 9.5 27 28 A K E -BC 17 40A 56 13,-2.7 13,-3.3 -2,-0.5 -10,-0.2 -0.965 30.6-114.7-125.8 135.9 29.9 -1.7 9.2 28 29 A K E + C 0 39A 46 -12,-3.2 -13,-3.0 -2,-0.4 2,-0.3 -0.388 45.3 177.5 -58.7 142.9 32.3 1.2 8.8 29 30 A C E -BC 14 38A 3 9,-2.5 9,-2.2 -15,-0.3 2,-0.4 -0.954 25.7-141.4-147.6 167.9 34.0 1.1 5.4 30 31 A R E -BC 13 37A 112 -17,-2.4 -17,-2.2 -2,-0.3 2,-0.5 -0.999 20.9-128.3-136.2 129.0 36.5 2.9 3.2 31 32 A E E >> -B 12 0A 21 5,-2.9 4,-2.5 -2,-0.4 3,-0.9 -0.658 15.4-146.6 -77.2 125.2 36.2 3.3 -0.6 32 33 A K T 34 S+ 0 0 97 -21,-2.8 -1,-0.1 -2,-0.5 -20,-0.1 0.854 93.2 53.8 -61.2 -37.0 39.5 2.2 -2.1 33 34 A S T 34 S+ 0 0 96 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.660 126.4 17.5 -75.2 -19.6 39.4 4.8 -5.0 34 35 A T T <4 S- 0 0 76 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.528 88.9-127.5-127.2 -16.5 39.0 7.9 -2.8 35 36 A G < + 0 0 27 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.445 61.7 143.3 72.5 1.3 39.9 6.9 0.8 36 37 A L - 0 0 95 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.3 -0.468 45.7-129.2 -79.5 145.3 36.6 8.3 1.9 37 38 A Q E +C 30 0A 116 -7,-0.2 57,-0.6 -2,-0.2 -7,-0.2 -0.719 30.9 165.4-102.4 145.5 34.7 6.5 4.7 38 39 A Y E -CD 29 93A 29 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.5 -0.795 38.9-106.0-140.0 176.3 31.1 5.4 4.7 39 40 A A E -CD 28 92A 8 53,-2.9 53,-3.3 -2,-0.2 2,-0.7 -0.983 29.8-151.7-113.0 117.3 28.7 3.1 6.6 40 41 A A E -CD 27 91A 1 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.7 -0.826 7.2-161.7 -92.5 114.6 27.9 -0.1 4.7 41 42 A K E -CD 26 90A 20 49,-3.1 49,-2.7 -2,-0.7 2,-0.7 -0.885 3.1-159.7 -99.3 111.4 24.4 -1.4 5.6 42 43 A F E -CD 25 89A 31 -17,-3.2 -17,-1.7 -2,-0.7 2,-0.6 -0.825 7.4-166.6 -94.3 112.7 24.1 -5.1 4.7 43 44 A I E -CD 24 88A 5 45,-3.5 45,-2.2 -2,-0.7 2,-0.3 -0.894 19.4-127.5-105.5 121.6 20.4 -6.0 4.4 44 45 A K E - D 0 87A 61 -21,-3.1 11,-2.9 -2,-0.6 43,-0.2 -0.509 24.2-136.5 -70.9 127.2 19.5 -9.7 4.3 45 46 A K B -f 55 0B 33 41,-3.0 2,-0.3 -2,-0.3 11,-0.2 -0.413 22.6-100.2 -76.1 154.1 17.3 -10.7 1.3 46 47 A R - 0 0 96 9,-1.2 8,-0.1 8,-0.2 -1,-0.1 -0.577 23.2-154.5 -70.1 137.5 14.4 -13.0 1.5 47 48 A R S S+ 0 0 191 6,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.632 77.5 20.1 -89.7 -19.8 15.2 -16.5 0.2 48 49 A T S > S- 0 0 75 5,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.983 81.0-112.0-147.7 152.4 11.7 -17.4 -0.8 49 50 A K T 3 S+ 0 0 212 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.848 117.2 40.7 -48.0 -47.1 8.5 -15.4 -1.6 50 51 A S T 3 S+ 0 0 109 -3,-0.1 -1,-0.3 -4,-0.0 -4,-0.0 0.374 90.0 125.8 -90.0 3.3 6.6 -16.6 1.5 51 52 A S < - 0 0 11 -3,-1.7 -5,-0.1 1,-0.1 5,-0.1 -0.181 48.3-159.3 -66.0 153.5 9.6 -16.4 3.9 52 53 A R S S+ 0 0 156 3,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.504 72.2 84.3-106.5 -11.5 9.5 -14.4 7.2 53 54 A R S S+ 0 0 164 -5,-0.1 -6,-0.3 2,-0.1 -5,-0.2 -0.664 87.0 15.1 -85.7 149.0 13.3 -14.2 7.4 54 55 A G S S- 0 0 7 -2,-0.3 2,-0.4 -8,-0.1 -9,-0.2 0.043 95.4 -68.9 75.4 172.3 15.1 -11.4 5.5 55 56 A V B -f 45 0B 39 -11,-2.9 -9,-1.2 -32,-0.2 -2,-0.1 -0.849 48.7-112.5-106.0 134.0 13.6 -8.2 4.0 56 57 A S > - 0 0 21 -2,-0.4 4,-2.3 -11,-0.2 5,-0.2 -0.266 24.0-119.8 -60.3 149.4 11.3 -8.4 0.9 57 58 A R H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.898 114.8 57.8 -59.6 -38.4 12.7 -6.9 -2.2 58 59 A E H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 108.3 46.0 -54.3 -46.3 9.7 -4.4 -2.2 59 60 A D H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 112.8 49.1 -69.2 -38.0 10.8 -3.1 1.2 60 61 A I H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 111.1 49.8 -64.2 -46.8 14.4 -2.9 0.3 61 62 A E H X S+ 0 0 56 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.840 108.1 54.1 -63.3 -35.1 13.6 -1.0 -2.9 62 63 A R H X S+ 0 0 49 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.940 108.7 48.1 -61.9 -49.1 11.4 1.5 -1.0 63 64 A E H X S+ 0 0 14 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.938 115.0 45.5 -57.5 -49.0 14.2 2.3 1.5 64 65 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 111.7 52.1 -59.5 -44.4 16.7 2.8 -1.4 65 66 A S H X S+ 0 0 68 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.882 112.8 44.4 -63.0 -41.0 14.2 4.9 -3.4 66 67 A I H >X S+ 0 0 4 -4,-2.5 3,-1.0 2,-0.2 4,-0.8 0.939 112.2 52.0 -68.2 -45.3 13.5 7.2 -0.4 67 68 A L H >< S+ 0 0 4 -4,-2.6 3,-0.9 1,-0.3 11,-0.6 0.891 104.0 58.1 -58.5 -39.5 17.2 7.5 0.4 68 69 A K H 3< S+ 0 0 132 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.794 104.5 53.1 -61.6 -28.2 18.0 8.5 -3.2 69 70 A E H << S+ 0 0 70 -3,-1.0 2,-0.4 -4,-0.8 -1,-0.2 0.711 93.7 88.0 -75.4 -26.3 15.6 11.5 -2.9 70 71 A I << + 0 0 3 -3,-0.9 8,-0.4 -4,-0.8 2,-0.3 -0.640 33.8 155.0-100.4 135.8 17.1 13.0 0.2 71 72 A Q + 0 0 128 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.833 27.3 124.9-150.1 106.8 19.9 15.6 0.7 72 73 A H > - 0 0 45 3,-0.4 3,-2.0 -2,-0.3 53,-0.0 -0.955 65.7-112.1-161.4 143.7 19.8 17.7 3.8 73 74 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.757 115.3 51.1 -54.8 -26.5 22.3 18.3 6.6 74 75 A N T 3 S+ 0 0 18 83,-0.1 84,-3.0 2,-0.1 2,-0.3 0.248 105.3 61.3-101.9 16.4 20.1 16.5 9.2 75 76 A V B < S-g 158 0C 0 -3,-2.0 -3,-0.4 82,-0.3 84,-0.2 -0.964 89.4 -95.6-133.5 159.1 19.5 13.3 7.2 76 77 A I - 0 0 6 82,-1.7 2,-0.5 -2,-0.3 -6,-0.1 -0.312 30.8-134.6 -70.7 143.6 21.9 10.6 5.8 77 78 A T - 0 0 31 -6,-0.1 16,-2.2 -4,-0.1 2,-0.4 -0.914 13.6-135.6-100.0 127.4 23.2 10.7 2.2 78 79 A L E - E 0 92A 27 -11,-0.6 14,-0.2 -2,-0.5 3,-0.1 -0.691 22.9-180.0 -79.9 127.5 23.1 7.5 0.1 79 80 A H E - 0 0 75 12,-3.1 2,-0.3 -2,-0.4 13,-0.2 0.891 56.8 -24.4 -92.1 -51.5 26.3 7.0 -1.8 80 81 A E E - E 0 91A 36 11,-1.2 11,-3.1 2,-0.0 2,-0.4 -0.973 51.2-136.2-157.1 160.9 26.0 3.7 -3.7 81 82 A V E + E 0 90A 12 -2,-0.3 -77,-1.7 9,-0.2 2,-0.3 -0.997 19.9 177.3-130.1 132.5 24.1 0.4 -3.7 82 83 A Y E -aE 4 89A 2 7,-2.7 7,-3.1 -2,-0.4 2,-0.3 -0.785 5.8-171.3-118.6 164.6 25.5 -3.1 -4.3 83 84 A E E + E 0 88A 6 -79,-2.5 2,-0.2 -2,-0.3 5,-0.2 -0.994 11.0 172.7-153.3 155.9 23.8 -6.5 -4.2 84 85 A N - 0 0 72 3,-2.4 -78,-0.1 -2,-0.3 -81,-0.0 -0.810 58.1 -70.6-143.3-170.1 24.6 -10.2 -4.3 85 86 A K S S+ 0 0 191 -2,-0.2 3,-0.1 1,-0.2 -40,-0.0 0.834 129.6 28.2 -58.2 -32.9 22.6 -13.4 -3.8 86 87 A T S S+ 0 0 52 1,-0.1 -41,-3.0 -42,-0.1 2,-0.3 0.753 120.1 30.1-101.9 -26.3 22.2 -12.8 -0.0 87 88 A D E -D 44 0A 23 -43,-0.2 -3,-2.4 2,-0.0 2,-0.4 -0.938 51.0-142.3-137.7 150.7 22.3 -9.1 0.6 88 89 A V E -DE 43 83A 0 -45,-2.2 -45,-3.5 -2,-0.3 2,-0.6 -0.962 30.9-154.5-102.5 135.7 21.6 -5.6 -0.6 89 90 A I E -DE 42 82A 2 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.6 -0.941 5.9-162.5-118.5 109.6 24.5 -3.4 0.6 90 91 A L E -DE 41 81A 0 -49,-2.7 -49,-3.1 -2,-0.6 2,-0.9 -0.818 10.4-148.8 -94.0 125.3 23.8 0.3 1.0 91 92 A I E -DE 40 80A 0 -11,-3.1 -12,-3.1 -2,-0.6 -11,-1.2 -0.848 31.1-177.3 -92.5 105.6 26.8 2.5 1.1 92 93 A L E -DE 39 78A 19 -53,-3.3 -53,-2.9 -2,-0.9 -14,-0.2 -0.653 35.4 -86.3-104.7 155.9 25.6 5.3 3.4 93 94 A E E -D 38 0A 57 -16,-2.2 2,-0.4 -2,-0.2 -55,-0.2 -0.392 52.2-117.8 -52.7 133.2 27.1 8.5 4.7 94 95 A L - 0 0 35 -57,-0.6 2,-0.5 -2,-0.1 -1,-0.1 -0.632 25.1-169.1 -80.0 130.0 29.1 7.7 7.9 95 96 A V - 0 0 9 -2,-0.4 3,-0.5 1,-0.1 51,-0.1 -0.969 10.0-178.4-118.0 110.7 27.9 9.3 11.1 96 97 A A + 0 0 61 -2,-0.5 51,-0.2 51,-0.4 52,-0.1 0.394 58.5 78.5 -99.0 -1.0 30.8 8.6 13.5 97 98 A G S S- 0 0 6 49,-2.3 -1,-0.2 1,-0.2 50,-0.2 0.253 93.9-118.1 -97.9 13.0 29.7 10.1 16.8 98 99 A G - 0 0 24 -3,-0.5 48,-2.7 48,-0.2 -1,-0.2 0.041 44.4 -39.8 79.9 173.4 27.3 7.3 17.9 99 100 A E B > -H 145 0C 42 46,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.408 41.4-127.7 -72.3 145.2 23.6 7.1 18.6 100 101 A L H > S+ 0 0 0 44,-3.2 4,-2.4 41,-0.8 5,-0.2 0.860 113.0 64.6 -53.1 -37.0 21.8 9.8 20.5 101 102 A F H > S+ 0 0 93 40,-1.3 4,-1.5 43,-0.3 -1,-0.2 0.900 104.8 42.0 -52.0 -46.5 20.6 6.9 22.6 102 103 A D H > S+ 0 0 64 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.848 111.1 55.8 -74.3 -34.2 24.2 6.2 23.8 103 104 A F H X S+ 0 0 24 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.904 109.5 47.2 -60.7 -43.1 25.0 9.9 24.3 104 105 A L H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.865 109.5 53.3 -68.9 -37.1 22.0 10.2 26.6 105 106 A A H < S+ 0 0 73 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.829 110.8 47.1 -66.1 -33.1 23.0 7.1 28.5 106 107 A E H < S+ 0 0 128 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.729 118.9 38.6 -82.2 -24.7 26.5 8.4 29.2 107 108 A K H < S- 0 0 85 -4,-1.3 2,-0.2 -5,-0.1 -2,-0.2 0.726 83.2-158.0 -95.2 -29.5 25.3 11.9 30.3 108 109 A E < + 0 0 80 -4,-2.1 2,-0.2 -5,-0.2 -4,-0.1 0.074 69.1 30.4 70.7 -21.4 22.2 11.0 32.4 109 110 A S - 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0 0 21 -2,-0.4 102,-0.1 13,-0.0 -39,-0.0 -0.902 17.9-176.1-154.0 117.2 4.8 -0.9 13.1 178 179 A G - 0 0 7 -2,-0.3 -40,-0.1 1,-0.2 5,-0.1 0.105 52.1 -37.5 -91.6-149.8 7.9 0.5 14.9 179 180 A T >> - 0 0 44 1,-0.1 3,-2.4 -40,-0.1 4,-1.0 -0.628 54.9-129.4 -81.7 126.3 9.2 0.2 18.4 180 181 A P G >4 S+ 0 0 9 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.807 103.9 60.7 -45.7 -42.2 6.4 0.2 21.0 181 182 A E G 34 S+ 0 0 43 1,-0.2 35,-0.3 37,-0.0 36,-0.1 0.728 117.1 30.8 -55.2 -26.3 7.9 2.9 23.2 182 183 A F G <4 S+ 0 0 14 -3,-2.4 -1,-0.2 2,-0.1 22,-0.2 0.477 90.5 111.1-117.8 -8.3 7.8 5.4 20.3 183 184 A V << - 0 0 4 -4,-1.0 15,-0.0 -3,-0.6 -45,-0.0 -0.443 63.8-118.9 -79.3 146.3 4.8 4.5 18.1 184 185 A A >> - 0 0 0 -2,-0.1 4,-1.9 1,-0.1 3,-1.1 -0.358 29.6-105.2 -73.6 159.4 1.6 6.7 17.8 185 186 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 120.5 59.7 -52.9 -37.2 -1.8 5.4 18.9 186 187 A E H 34>S+ 0 0 3 1,-0.2 5,-2.9 2,-0.2 4,-0.2 0.807 105.2 49.0 -65.4 -29.5 -2.8 5.0 15.2 187 188 A I H X45S+ 0 0 3 -3,-1.1 3,-1.4 3,-0.2 -1,-0.2 0.941 111.5 48.9 -69.0 -47.6 0.1 2.5 14.8 188 189 A V H 3<5S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 114.9 45.8 -57.8 -37.6 -1.0 0.6 17.9 189 190 A N T 3<5S- 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.361 110.3-120.7 -92.6 4.0 -4.6 0.5 16.6 190 191 A Y T < 5 + 0 0 127 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.870 61.5 149.1 59.8 39.4 -3.7 -0.5 13.0 191 192 A E < - 0 0 91 -5,-2.9 -1,-0.2 1,-0.1 -19,-0.1 -0.504 58.6 -71.9 -95.0 165.3 -5.2 2.6 11.5 192 193 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -19,-0.2 -0.355 57.2-145.0 -56.3 142.6 -4.2 4.5 8.4 193 194 A L B +K 172 0E 7 -21,-2.8 -21,-2.8 -3,-0.1 2,-0.2 -0.881 25.6 159.8-120.3 146.3 -1.0 6.4 9.0 194 195 A G > - 0 0 1 -2,-0.4 3,-1.4 -23,-0.2 4,-0.5 -0.632 60.7 -60.2-142.8-160.8 0.4 9.7 7.9 195 196 A L T >> S+ 0 0 32 -25,-0.3 4,-0.8 1,-0.3 3,-0.8 0.742 118.2 75.5 -62.6 -21.9 3.0 12.3 8.7 196 197 A E H >> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.808 81.6 66.9 -63.2 -30.7 1.3 12.8 12.0 197 198 A A H <> S+ 0 0 1 -3,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.904 97.4 54.2 -58.7 -39.8 2.7 9.6 13.5 198 199 A D H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.5 -1,-0.3 0.835 103.0 56.9 -61.4 -33.7 6.2 11.1 13.3 199 200 A M H S- 0 0 35 1,-0.1 4,-2.1 61,-0.0 -2,-0.4 -0.928 87.2-112.0-136.3 160.2 6.1 -5.6 28.8 221 222 A K H > S+ 0 0 59 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 117.5 54.1 -59.5 -42.4 5.5 -4.5 25.2 222 223 A Q H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.0 49.7 -60.2 -39.5 1.7 -5.0 25.5 223 224 A E H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 110.8 49.4 -65.9 -43.2 1.6 -2.7 28.6 224 225 A T H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.945 112.8 47.6 -57.8 -48.2 3.6 -0.1 26.7 225 226 A L H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.882 110.9 50.5 -64.1 -39.0 1.2 -0.3 23.7 226 227 A A H X S+ 0 0 59 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.894 110.7 50.4 -64.1 -39.9 -1.9 -0.1 26.0 227 228 A N H <>S+ 0 0 39 -4,-2.3 5,-3.0 -11,-0.3 4,-0.5 0.903 110.3 50.0 -62.4 -44.3 -0.4 3.0 27.6 228 229 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.950 110.7 48.2 -58.9 -50.1 0.2 4.6 24.2 229 230 A S H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 116.0 43.9 -65.0 -33.5 -3.3 3.9 23.0 230 231 A A T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.443 108.6-123.1 -84.8 -1.6 -4.8 5.3 26.2 231 232 A V T < 5 + 0 0 41 -3,-1.5 2,-1.5 -4,-0.5 -3,-0.2 0.924 46.8 174.0 51.3 48.8 -2.4 8.3 26.2 232 233 A N < + 0 0 95 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.663 27.1 111.0 -91.3 79.9 -1.4 7.1 29.7 233 234 A Y + 0 0 42 -2,-1.5 2,-0.3 -3,-0.2 -17,-0.1 -0.975 36.2 179.2-144.7 158.9 1.5 9.5 30.5 234 235 A E - 0 0 122 -2,-0.3 2,-0.9 -19,-0.3 -2,-0.0 -0.966 37.6-101.1-152.5 161.8 2.1 12.3 32.9 235 236 A F - 0 0 18 -2,-0.3 2,-0.2 5,-0.0 5,-0.1 -0.763 38.0-141.6 -89.2 102.0 4.9 14.7 33.9 236 237 A E >> - 0 0 79 -2,-0.9 4,-2.2 1,-0.2 3,-1.1 -0.415 4.3-141.4 -67.5 129.1 6.5 13.4 37.0 237 238 A D H 3> S+ 0 0 116 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.859 99.9 63.0 -57.4 -36.8 7.5 16.2 39.4 238 239 A E H 34 S+ 0 0 170 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.847 117.2 29.5 -56.8 -32.5 10.7 14.3 40.3 239 240 A Y H <4 S+ 0 0 111 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.717 129.9 34.5 -99.1 -27.0 11.9 14.6 36.7 240 241 A F H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.1 -3,-0.2 0.357 76.7 108.3-116.5 5.0 10.2 17.9 35.5 241 242 A S T 3< S+ 0 0 85 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.761 92.4 36.5 -59.5 -28.4 10.1 20.2 38.6 242 243 A N T 3 S+ 0 0 156 -3,-0.2 2,-0.4 -5,-0.2 -1,-0.3 0.126 96.5 103.7-109.3 19.1 12.8 22.4 37.0 243 244 A T S < S- 0 0 25 -3,-2.2 -3,-0.1 1,-0.1 5,-0.0 -0.813 79.4-104.8 -98.3 139.7 11.6 22.1 33.4 244 245 A S > - 0 0 40 -2,-0.4 4,-1.7 1,-0.1 3,-0.3 -0.237 15.3-126.7 -68.1 151.6 9.7 25.0 32.0 245 246 A A H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.847 111.0 59.7 -63.8 -31.6 5.9 25.0 31.6 246 247 A L H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 101.8 52.9 -62.1 -39.0 6.4 25.9 27.9 247 248 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.915 110.1 48.1 -61.7 -44.2 8.4 22.7 27.3 248 249 A K H X S+ 0 0 40 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.884 108.5 54.6 -62.3 -39.0 5.6 20.7 28.8 249 250 A D H X S+ 0 0 49 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 105.9 52.7 -59.4 -45.9 3.1 22.6 26.6 250 251 A F H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.937 112.3 44.3 -56.7 -49.3 5.1 21.6 23.5 251 252 A I H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.7 0.929 109.5 56.3 -62.1 -45.1 5.0 17.9 24.5 252 253 A R H 3< S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.0 54.0 -57.3 -33.1 1.3 18.0 25.4 253 254 A R T 3< S+ 0 0 128 -4,-1.8 10,-2.2 -3,-0.3 -1,-0.3 0.550 113.2 42.5 -81.7 -7.2 0.5 19.3 21.9 254 255 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.8 -4,-0.4 -2,-0.2 0.729 100.9 67.7-102.3 -37.2 2.3 16.3 20.3 255 256 A L S < S+ 0 0 5 -4,-2.5 2,-0.4 -52,-0.1 -1,-0.1 -0.432 72.9 132.7 -86.4 64.2 1.1 13.5 22.6 256 257 A V - 0 0 38 -2,-1.8 6,-0.1 -3,-0.2 -56,-0.1 -0.961 54.3-143.5-119.3 128.1 -2.5 13.8 21.3 257 258 A K S S+ 0 0 97 -2,-0.4 -71,-0.2 -72,-0.1 -1,-0.1 0.917 85.8 70.8 -60.7 -49.6 -4.5 10.7 20.3 258 259 A D S >> S- 0 0 56 1,-0.2 3,-1.5 -73,-0.1 4,-0.7 -0.594 74.2-152.2 -72.1 114.0 -6.4 12.2 17.3 259 260 A P G >4 S+ 0 0 34 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.808 93.0 61.2 -60.3 -28.4 -3.7 12.8 14.6 260 261 A K G 34 S+ 0 0 167 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.728 105.8 47.1 -67.1 -23.6 -5.7 15.7 13.2 261 262 A K G <4 S+ 0 0 148 -3,-1.5 -1,-0.2 2,-0.1 2,-0.1 0.530 91.5 101.3 -96.9 -9.5 -5.4 17.6 16.5 262 263 A R S << S- 0 0 8 -4,-0.7 -8,-0.2 -3,-0.6 -9,-0.1 -0.401 85.4 -95.3 -72.9 148.7 -1.7 17.0 16.9 263 264 A M - 0 0 18 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.402 38.9-135.3 -58.5 139.8 0.9 19.8 16.0 264 265 A T > - 0 0 68 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.416 29.9 -98.6 -84.9 172.2 2.3 19.4 12.5 265 266 A I H > S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.911 127.9 50.7 -58.7 -39.9 6.0 19.9 11.8 266 267 A Q H > S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.925 109.5 50.7 -64.8 -41.8 5.3 23.5 10.7 267 268 A D H >> S+ 0 0 79 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.901 106.7 55.3 -55.9 -44.6 3.4 24.1 14.0 268 269 A S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 6,-0.2 0.828 106.2 50.3 -62.6 -33.4 6.3 22.7 16.0 269 270 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.734 113.6 45.8 -77.6 -22.7 8.7 25.1 14.5 270 271 A Q H << S+ 0 0 110 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.508 84.4 117.7 -94.3 -9.0 6.4 28.1 15.2 271 272 A H S >X S- 0 0 10 -4,-1.0 4,-3.0 -3,-0.2 3,-1.8 -0.345 76.7-119.6 -61.2 137.1 5.7 26.9 18.8 272 273 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.730 112.0 60.0 -54.7 -24.4 6.9 29.6 21.3 273 274 A W T 34 S+ 0 0 29 -27,-0.2 -26,-0.1 1,-0.1 -4,-0.1 0.811 121.2 25.1 -69.0 -28.6 9.3 27.0 23.0 274 275 A I T <4 S+ 0 0 6 -3,-1.8 -1,-0.1 -6,-0.2 -5,-0.1 0.821 94.4 98.7-103.3 -44.1 11.1 26.6 19.6 275 276 A K < 0 0 111 -4,-3.0 -5,-0.1 -7,-0.1 -6,-0.0 -0.289 360.0 360.0 -57.0 124.2 10.5 29.8 17.6 276 277 A P 0 0 159 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.736 360.0 360.0 -78.8 360.0 13.6 32.0 18.0 277 ! 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 0.0 278 291 A P 0 0 111 0, 0.0 -100,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -82.0 8.9 -6.0 16.7 279 292 A Q + 0 0 29 -100,-0.1 2,-0.3 -102,-0.1 -54,-0.1 0.475 360.0 84.0 -93.7 -3.2 5.7 -5.2 18.5 280 293 A F 0 0 138 -59,-0.1 0, 0.0 -58,-0.0 0, 0.0 -0.794 360.0 360.0-109.7 143.1 5.3 -8.8 19.8 281 294 A E 0 0 152 -2,-0.3 -2,-0.1 -61,-0.0 -61,-0.0 -0.595 360.0 360.0 -87.3 360.0 6.7 -10.6 22.9