==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JUL-12 4B4L . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TEMMERMAN,V.POGENBERG,W.JONKO,M.WILMANNS . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 0 0 1 3 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 5 A R 0 0 130 0, 0.0 78,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 135.4 20.6 -41.6 -0.9 2 6 A Q B -a 79 0A 88 76,-0.7 78,-2.3 1,-0.1 3,-0.1 -0.133 360.0-161.3 -59.8 157.3 24.3 -41.3 -0.1 3 7 A E + 0 0 51 76,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.903 60.5 49.7-112.0 -64.0 25.9 -43.7 2.4 4 8 A N > + 0 0 104 1,-0.2 3,-1.3 75,-0.1 4,-0.4 -0.741 45.6 176.6 -98.4 92.2 29.2 -43.0 4.2 5 9 A V G >> S+ 0 0 10 -2,-0.9 4,-1.8 1,-0.3 3,-1.3 0.795 77.8 65.6 -63.7 -30.7 29.3 -39.6 5.7 6 10 A D G 34 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.721 95.4 57.5 -64.9 -22.3 32.8 -40.2 7.2 7 11 A D G <4 S+ 0 0 103 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.692 117.9 32.3 -77.2 -19.5 34.3 -40.4 3.8 8 12 A Y T <4 S+ 0 0 124 -3,-1.3 21,-2.8 -4,-0.4 22,-0.5 0.613 119.4 43.4-112.3 -16.5 33.1 -36.9 3.0 9 13 A Y E < -B 28 0A 3 -4,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.971 60.6-140.7-135.5 143.1 33.2 -35.1 6.3 10 14 A D E -B 27 0A 91 17,-2.4 17,-2.0 -2,-0.3 2,-0.4 -0.931 33.5-144.0 -96.1 122.2 35.5 -34.6 9.3 11 15 A T E +B 26 0A 59 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.770 24.5 172.9 -97.0 136.8 33.2 -34.6 12.3 12 16 A G E - 0 0 42 13,-3.4 -1,-0.1 -2,-0.4 14,-0.1 -0.009 35.8 -9.5-116.1-140.6 33.9 -32.4 15.3 13 17 A E E - 0 0 160 11,-0.1 12,-2.5 1,-0.1 -1,-0.3 -0.189 66.5-101.6 -72.9 148.1 32.4 -31.2 18.6 14 18 A E E -B 24 0A 110 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.431 29.6-175.7 -63.9 132.7 28.8 -31.7 19.8 15 19 A L E - 0 0 93 8,-3.7 2,-0.3 1,-0.4 9,-0.2 0.650 63.8 -33.3-101.3 -25.6 26.6 -28.7 19.4 16 20 A G E -B 23 0A 31 7,-1.4 7,-2.9 2,-0.0 -1,-0.4 -0.950 50.1-136.4 173.9 172.4 23.5 -30.1 21.1 17 21 A S E +B 22 0A 90 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 23.4 164.0-153.8 128.4 21.4 -33.2 21.8 18 22 A G - 0 0 54 3,-3.3 2,-0.8 -2,-0.3 3,-0.5 -0.428 54.9 -38.1-126.2-158.5 17.7 -33.8 21.7 19 23 A Q S S- 0 0 159 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 -0.653 126.3 -20.9 -70.7 109.0 15.2 -36.7 21.6 20 24 A F S S+ 0 0 64 -2,-0.8 21,-2.2 1,-0.1 2,-0.3 0.666 124.2 91.7 63.3 18.5 16.8 -39.3 19.3 21 25 A A E - C 0 40A 20 -3,-0.5 -3,-3.3 19,-0.2 2,-0.4 -0.999 48.4-173.6-142.4 141.3 19.1 -36.7 17.7 22 26 A V E -BC 17 39A 36 17,-1.8 17,-3.2 -2,-0.3 2,-0.5 -0.985 13.1-151.9-127.0 143.2 22.6 -35.3 18.2 23 27 A V E +BC 16 38A 37 -7,-2.9 -8,-3.7 -2,-0.4 -7,-1.4 -0.967 16.6 176.6-118.5 127.0 24.1 -32.4 16.3 24 28 A K E -BC 14 37A 76 13,-2.3 13,-3.3 -2,-0.5 -10,-0.2 -0.960 33.4-111.0-127.3 148.2 27.9 -32.0 15.8 25 29 A K E - C 0 36A 79 -12,-2.5 -13,-3.4 -2,-0.3 2,-0.3 -0.446 43.4-178.9 -70.1 147.5 29.9 -29.5 13.8 26 30 A C E -BC 11 35A 2 9,-2.6 9,-2.7 -15,-0.2 2,-0.4 -0.965 23.7-139.3-146.6 163.9 31.5 -30.9 10.7 27 31 A R E -BC 10 34A 115 -17,-2.0 -17,-2.4 -2,-0.3 2,-0.4 -0.995 21.6-128.9-128.2 122.6 33.8 -29.9 7.8 28 32 A E E > -B 9 0A 18 5,-2.9 4,-2.4 -2,-0.4 3,-0.3 -0.574 15.0-147.1 -69.3 124.3 33.2 -31.0 4.2 29 33 A K T 4 S+ 0 0 99 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.854 92.2 49.5 -63.8 -36.4 36.5 -32.5 2.9 30 34 A S T 4 S+ 0 0 98 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.783 127.2 21.6 -76.3 -29.5 36.0 -31.4 -0.8 31 35 A T T 4 S- 0 0 73 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.567 90.9-133.6-110.9 -18.2 35.1 -27.7 -0.1 32 36 A G < + 0 0 21 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.629 58.7 142.1 63.6 16.9 36.6 -27.2 3.4 33 37 A L - 0 0 96 -5,-0.3 -5,-2.9 1,-0.0 2,-0.3 -0.619 50.5-117.2 -91.3 151.0 33.4 -25.5 4.4 34 38 A Q E +C 27 0A 87 -7,-0.2 57,-0.6 -2,-0.2 -7,-0.2 -0.684 37.6 161.9 -92.6 138.3 31.7 -25.9 7.8 35 39 A Y E -CD 26 90A 35 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.5 -0.781 37.6-110.5-139.3 176.7 28.3 -27.5 8.5 36 40 A A E -CD 25 89A 9 53,-2.9 53,-3.2 -2,-0.2 2,-0.6 -0.986 25.4-150.9-114.8 125.7 26.2 -29.0 11.3 37 41 A A E -CD 24 88A 0 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.7 -0.866 5.9-161.5 -98.4 122.8 25.5 -32.7 11.1 38 42 A K E -CD 23 87A 25 49,-2.8 49,-2.5 -2,-0.6 2,-0.7 -0.922 6.7-158.8-106.7 110.0 22.2 -33.8 12.7 39 43 A F E -CD 22 86A 33 -17,-3.2 -17,-1.8 -2,-0.7 2,-0.5 -0.852 7.7-168.8 -97.5 117.5 22.2 -37.5 13.4 40 44 A I E -CD 21 85A 5 45,-2.9 45,-2.2 -2,-0.7 2,-0.4 -0.924 17.9-132.9-110.7 120.9 18.7 -39.0 13.7 41 45 A K E - D 0 84A 86 -21,-2.2 11,-2.7 -2,-0.5 43,-0.2 -0.569 21.1-134.5 -75.7 126.7 18.4 -42.5 15.1 42 46 A K B -f 52 0B 36 41,-2.7 2,-0.5 -2,-0.4 11,-0.2 -0.555 23.6-107.3 -78.3 144.5 16.0 -44.6 13.0 43 47 A R - 0 0 87 9,-1.9 8,-0.2 -2,-0.2 11,-0.1 -0.622 29.8-154.7 -69.2 120.9 13.4 -46.8 14.8 44 48 A R S S+ 0 0 83 6,-0.5 2,-0.3 -2,-0.5 -1,-0.2 0.858 70.6 9.5 -74.5 -37.1 14.8 -50.3 14.3 45 49 A T S > S- 0 0 79 1,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.953 78.9-108.0-139.1 159.9 11.4 -52.2 14.6 46 50 A K T 3 S+ 0 0 175 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.838 120.0 50.1 -54.9 -37.2 7.8 -51.2 14.7 47 51 A S T 3 S+ 0 0 103 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.577 86.8 108.6 -80.9 -12.5 7.6 -52.1 18.4 48 52 A S < - 0 0 34 -3,-1.4 -5,-0.1 1,-0.1 0, 0.0 -0.357 52.5-160.8 -68.3 145.5 10.7 -50.1 19.4 49 53 A R S S+ 0 0 202 -2,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.033 71.0 80.5-114.6 21.4 10.3 -46.9 21.4 50 54 A R S S+ 0 0 146 -8,-0.0 -6,-0.5 2,-0.0 2,-0.1 -0.989 81.9 27.9-122.5 137.4 13.7 -45.5 20.6 51 55 A G S S- 0 0 10 -2,-0.4 2,-0.4 -8,-0.2 -9,-0.3 -0.206 84.2 -79.9 102.8 167.0 14.3 -43.8 17.2 52 56 A V B -f 42 0B 33 -11,-2.7 -9,-1.9 -32,-0.2 -2,-0.0 -0.852 46.4-108.2-107.1 141.2 12.1 -41.8 14.8 53 57 A S > - 0 0 13 -2,-0.4 4,-2.4 -11,-0.2 5,-0.2 -0.260 24.6-115.1 -63.2 154.4 9.8 -43.4 12.3 54 58 A R H > S+ 0 0 127 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.910 116.5 53.6 -48.8 -51.1 10.5 -43.5 8.5 55 59 A E H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 109.6 46.3 -57.5 -47.0 7.5 -41.3 7.9 56 60 A D H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 114.2 47.4 -67.2 -39.9 8.6 -38.6 10.4 57 61 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 112.7 48.9 -65.4 -44.2 12.2 -38.5 9.1 58 62 A E H X S+ 0 0 56 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.845 108.3 54.5 -67.6 -33.1 11.1 -38.3 5.5 59 63 A R H X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.927 109.7 46.6 -60.8 -48.9 8.6 -35.5 6.2 60 64 A E H X S+ 0 0 18 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.930 114.7 47.6 -58.9 -46.2 11.4 -33.4 7.8 61 65 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 110.3 51.8 -60.5 -46.6 13.7 -34.1 4.9 62 66 A S H X S+ 0 0 58 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.867 113.0 44.6 -59.5 -42.6 11.0 -33.3 2.3 63 67 A I H >X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 3,-0.5 0.913 112.5 51.1 -69.0 -46.4 10.3 -29.9 3.9 64 68 A L H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 11,-0.6 0.885 104.8 57.6 -57.7 -41.4 14.0 -29.0 4.3 65 69 A K H 3< S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 107.1 50.9 -57.6 -33.3 14.6 -29.8 0.6 66 70 A E H << S+ 0 0 78 -4,-0.8 2,-0.4 -3,-0.5 -1,-0.2 0.755 90.5 95.2 -71.0 -32.8 12.0 -27.2 -0.2 67 71 A I << + 0 0 1 -4,-1.0 8,-0.4 -3,-0.6 2,-0.3 -0.542 33.1 154.5 -88.1 124.5 13.3 -24.4 1.9 68 72 A Q + 0 0 144 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.803 27.6 118.8-140.6 95.6 15.6 -21.6 0.5 69 73 A H > - 0 0 43 3,-0.5 3,-1.6 -2,-0.3 53,-0.0 -0.967 65.4-119.0-157.3 143.7 15.4 -18.3 2.4 70 74 A P T 3 S+ 0 0 62 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.683 111.3 50.5 -63.7 -16.5 18.0 -16.3 4.3 71 75 A N T 3 S+ 0 0 13 83,-0.1 84,-2.3 2,-0.1 2,-0.4 0.260 102.3 69.2-106.5 12.5 16.1 -16.6 7.6 72 76 A V B < S-g 155 0C 0 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.989 91.0-103.1-128.6 138.7 15.5 -20.3 7.6 73 77 A I - 0 0 14 82,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.257 39.2-140.8 -54.9 142.7 18.1 -23.1 8.0 74 78 A T - 0 0 42 -4,-0.1 16,-2.8 -6,-0.1 2,-0.4 -0.846 6.1-125.2-112.9 147.4 19.1 -24.8 4.7 75 79 A L E + E 0 89A 31 -11,-0.6 14,-0.2 -8,-0.4 3,-0.1 -0.752 23.7 178.5 -88.7 131.2 19.7 -28.5 4.0 76 80 A H E - 0 0 72 12,-3.5 2,-0.3 -2,-0.4 13,-0.2 0.875 63.1 -18.2 -96.4 -48.8 23.1 -29.2 2.4 77 81 A E E - E 0 88A 40 11,-1.6 11,-3.4 2,-0.0 -1,-0.4 -0.978 52.3-140.8-153.5 160.1 23.1 -33.0 2.0 78 82 A V E - E 0 87A 15 -2,-0.3 -76,-0.7 9,-0.2 2,-0.3 -0.996 18.3-178.7-128.7 133.9 21.3 -36.2 3.4 79 83 A Y E -aE 2 86A 0 7,-2.7 7,-2.9 -2,-0.4 2,-0.3 -0.884 3.5-169.8-122.6 153.3 23.0 -39.5 4.2 80 84 A E E + E 0 85A 31 -78,-2.3 5,-0.2 -2,-0.3 2,-0.2 -0.958 10.2 165.2-146.6 138.2 21.5 -42.7 5.4 81 85 A N - 0 0 65 3,-2.4 -77,-0.0 -2,-0.3 -78,-0.0 -0.505 58.0 -71.5-127.5-165.2 23.0 -45.9 6.8 82 86 A K S S+ 0 0 191 -2,-0.2 3,-0.1 1,-0.2 -40,-0.0 0.826 127.5 25.4 -62.1 -35.0 21.6 -48.8 8.7 83 87 A T S S+ 0 0 90 1,-0.1 -41,-2.7 -42,-0.1 2,-0.3 0.749 120.6 29.8-103.6 -32.7 21.1 -47.0 12.0 84 88 A D E -D 41 0A 33 -43,-0.2 -3,-2.4 -33,-0.1 2,-0.4 -0.899 52.6-139.7-132.1 157.3 20.8 -43.3 11.2 85 89 A V E -DE 40 80A 0 -45,-2.2 -45,-2.9 -2,-0.3 2,-0.5 -0.973 30.7-155.3-105.8 133.0 19.6 -40.7 8.8 86 90 A I E -DE 39 79A 2 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.6 -0.951 5.7-161.3-118.1 116.7 22.2 -37.8 8.8 87 91 A L E -DE 38 78A 0 -49,-2.5 -49,-2.8 -2,-0.5 2,-0.8 -0.862 7.6-152.8 -96.9 118.6 21.2 -34.3 7.7 88 92 A I E -DE 37 77A 0 -11,-3.4 -12,-3.5 -2,-0.6 -11,-1.6 -0.863 30.5-179.6 -92.1 111.1 24.0 -32.0 6.7 89 93 A L E -DE 36 75A 15 -53,-3.2 -53,-2.9 -2,-0.8 -14,-0.2 -0.745 36.2 -81.3-113.9 155.5 22.6 -28.6 7.6 90 94 A E E -D 35 0A 33 -16,-2.8 2,-0.5 -2,-0.3 -55,-0.2 -0.264 53.1-113.7 -46.5 132.6 23.8 -25.0 7.3 91 95 A L - 0 0 28 -57,-0.6 2,-0.8 -3,-0.1 -1,-0.1 -0.682 26.1-164.9 -75.9 122.7 26.0 -24.2 10.4 92 96 A V + 0 0 18 -2,-0.5 3,-0.4 1,-0.1 52,-0.2 -0.896 17.3 169.5-110.7 99.2 24.3 -21.7 12.6 93 97 A A + 0 0 71 51,-1.5 51,-0.2 -2,-0.8 52,-0.2 0.517 52.0 78.5 -94.1 -11.2 27.2 -20.6 14.8 94 98 A G S S- 0 0 5 49,-2.3 -1,-0.2 1,-0.2 50,-0.2 0.336 86.8-130.6 -90.4 5.1 25.9 -17.6 16.6 95 99 A G - 0 0 33 -3,-0.4 48,-2.3 48,-0.3 -1,-0.2 -0.178 50.7 -24.7 77.1-174.0 23.8 -19.2 19.4 96 100 A E B > -H 142 0C 64 46,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.507 56.2-126.3 -74.9 141.2 20.2 -18.5 20.5 97 101 A L H > S+ 0 0 2 44,-3.1 4,-2.6 41,-0.4 5,-0.2 0.887 108.9 54.2 -53.4 -46.1 18.9 -15.0 19.8 98 102 A F H > S+ 0 0 5 43,-0.4 4,-2.1 40,-0.3 -1,-0.2 0.839 105.2 52.8 -63.2 -34.6 17.9 -14.5 23.4 99 103 A D H 4 S+ 0 0 75 -3,-0.4 -1,-0.2 2,-0.2 4,-0.2 0.914 111.2 47.7 -66.8 -39.9 21.4 -15.3 24.7 100 104 A F H >< S+ 0 0 33 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.941 112.5 48.0 -61.0 -48.1 22.8 -12.7 22.3 101 105 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.857 102.5 63.4 -65.1 -35.4 20.2 -10.1 23.4 102 106 A A T 3< S+ 0 0 20 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.510 95.4 61.0 -68.6 -4.7 20.9 -10.7 27.1 103 107 A E T < S+ 0 0 137 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.534 87.2 96.2 -96.8 -5.4 24.4 -9.5 26.6 104 108 A K S < S- 0 0 67 -3,-1.8 3,-0.1 -4,-0.3 -3,-0.0 -0.437 75.4-132.8 -80.0 153.6 23.4 -6.0 25.5 105 109 A E S S- 0 0 170 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.917 86.9 -10.4 -63.6 -43.6 23.1 -3.0 27.8 106 110 A S - 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0 0 94 -5,-2.8 -16,-0.3 1,-0.1 -1,-0.2 -0.626 59.6 -63.1-108.7 168.2 -8.5 -28.9 17.7 189 193 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.282 57.1-147.0 -60.1 137.8 -7.6 -28.7 13.9 190 194 A L + 0 0 15 -20,-2.6 -20,-0.5 -3,-0.1 2,-0.2 -0.747 29.5 141.8-108.8 151.3 -4.2 -27.1 13.4 191 195 A G > - 0 0 6 -2,-0.3 3,-1.1 -22,-0.1 4,-0.4 -0.797 67.7 -49.3-157.6-155.0 -2.9 -24.9 10.6 192 196 A L T >> S+ 0 0 34 -2,-0.2 3,-0.8 1,-0.2 4,-0.8 0.742 118.0 74.8 -61.9 -24.7 -0.7 -21.9 9.9 193 197 A E H >> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.809 82.0 66.8 -62.4 -32.3 -2.4 -19.9 12.7 194 198 A A H <> S+ 0 0 1 -3,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.882 96.7 55.0 -58.5 -38.2 -0.6 -21.8 15.5 195 199 A D H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.3 0.838 103.9 56.6 -59.9 -36.5 2.8 -20.3 14.4 196 200 A M H S- 0 0 70 1,-0.1 4,-2.2 0, 0.0 -2,-0.4 -0.850 85.9-111.1-125.1 160.8 2.3 -26.9 36.9 218 222 A K H > S+ 0 0 139 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 119.8 53.2 -51.3 -48.6 1.8 -28.2 33.4 219 223 A Q H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 107.7 49.9 -59.1 -43.7 -1.9 -28.4 34.0 220 224 A E H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.915 110.9 50.8 -58.6 -43.3 -2.0 -24.7 35.1 221 225 A T H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 109.7 49.1 -60.4 -49.1 -0.1 -23.7 32.0 222 226 A L H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.921 112.7 48.7 -55.9 -45.3 -2.5 -25.6 29.7 223 227 A A H X S+ 0 0 50 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.896 109.7 50.6 -65.1 -41.4 -5.4 -23.9 31.5 224 228 A N H X>S+ 0 0 37 -4,-2.7 5,-2.7 -11,-0.3 4,-0.5 0.923 112.4 47.7 -61.3 -45.6 -3.9 -20.4 31.2 225 229 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.3 -12,-0.2 -2,-0.2 0.949 111.9 48.5 -59.8 -52.0 -3.3 -20.9 27.4 226 230 A S H 3<5S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 116.4 43.2 -57.5 -38.4 -6.9 -22.3 26.7 227 231 A A H 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.493 106.0-128.8 -84.2 -5.1 -8.4 -19.4 28.7 228 232 A V T <<5 + 0 0 32 -3,-1.3 2,-1.1 -4,-0.5 -3,-0.2 0.926 45.2 173.4 47.9 47.6 -6.0 -16.9 27.0 229 233 A N < + 0 0 92 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.731 20.3 116.5 -89.1 93.0 -5.3 -15.7 30.6 230 234 A Y - 0 0 43 -2,-1.1 2,-0.3 -3,-0.2 -17,-0.1 -0.938 36.6-166.2-144.2 169.2 -2.5 -13.2 30.5 231 235 A E - 0 0 119 -2,-0.3 2,-0.8 -19,-0.2 -2,-0.0 -0.973 31.3-114.7-149.0 168.7 -1.9 -9.6 31.2 232 236 A F - 0 0 36 -2,-0.3 2,-0.1 5,-0.0 5,-0.1 -0.822 39.7-155.0 -99.1 86.9 0.6 -6.8 30.7 233 237 A E >> - 0 0 62 -2,-0.8 4,-2.0 1,-0.1 3,-1.2 -0.418 16.2-131.8 -65.1 135.5 1.8 -6.2 34.3 234 238 A D H 3> S+ 0 0 127 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.846 105.6 61.8 -55.8 -39.8 3.1 -2.6 34.9 235 239 A E H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.822 116.3 31.5 -53.5 -36.2 6.2 -4.0 36.6 236 240 A Y H <4 S+ 0 0 79 -3,-1.2 52,-0.3 1,-0.1 -2,-0.2 0.691 126.1 38.7 -98.9 -22.6 7.2 -5.8 33.4 237 241 A F H >< S+ 0 0 5 -4,-2.0 3,-1.8 1,-0.1 -2,-0.2 0.081 70.2 124.4-119.9 23.9 5.8 -3.5 30.7 238 242 A S T 3< S+ 0 0 87 -4,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.721 85.9 33.1 -61.7 -27.4 6.5 0.0 32.1 239 243 A N T 3 S+ 0 0 113 47,-0.2 47,-1.5 -3,-0.2 2,-0.3 0.148 93.1 119.2-112.8 19.0 8.5 1.2 29.0 240 244 A T < - 0 0 16 -3,-1.8 -3,-0.1 45,-0.2 47,-0.1 -0.681 61.3-123.8 -90.2 133.9 6.5 -0.8 26.5 241 245 A S > - 0 0 7 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.320 14.8-120.8 -73.5 158.8 4.7 1.1 23.7 242 246 A A H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.825 114.6 57.5 -64.1 -32.3 0.9 0.8 22.9 243 247 A L H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.907 105.8 49.5 -64.3 -42.0 1.8 -0.4 19.4 244 248 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.2 47.8 -64.5 -47.1 3.8 -3.3 20.8 245 249 A K H X S+ 0 0 58 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.888 111.4 51.6 -60.3 -39.0 1.0 -4.3 23.2 246 250 A D H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 108.1 52.2 -65.1 -39.3 -1.4 -4.1 20.2 247 251 A F H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.964 114.6 41.9 -59.0 -51.8 0.8 -6.3 18.1 248 252 A I H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.1 0.921 112.5 54.5 -62.2 -45.5 1.0 -9.0 20.9 249 253 A R H 3< S+ 0 0 123 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.2 53.2 -57.9 -37.5 -2.8 -8.6 21.6 250 254 A R H 3< S+ 0 0 133 -4,-2.0 10,-2.2 1,-0.2 -1,-0.3 0.667 113.9 43.6 -72.2 -16.9 -3.6 -9.3 17.9 251 255 A L H << S+ 0 0 0 -3,-1.1 2,-1.8 -4,-0.7 -2,-0.2 0.760 99.9 68.4 -96.0 -34.3 -1.6 -12.5 18.0 252 256 A L S < S+ 0 0 5 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.2 -0.430 72.8 136.4 -87.2 64.6 -2.7 -13.9 21.4 253 257 A V - 0 0 37 -2,-1.8 6,-0.1 -3,-0.2 -25,-0.1 -0.944 51.9-143.5-120.4 130.4 -6.3 -14.6 20.1 254 258 A K S S+ 0 0 94 -2,-0.4 -71,-0.2 -27,-0.1 -1,-0.1 0.928 85.1 67.4 -60.1 -54.0 -8.2 -17.8 21.0 255 259 A D S >> S- 0 0 66 1,-0.2 3,-1.8 -73,-0.1 4,-0.7 -0.602 74.2-149.6 -74.6 115.3 -10.0 -18.3 17.7 256 260 A P G >4 S+ 0 0 33 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.826 96.0 60.1 -53.4 -33.3 -7.4 -19.1 14.9 257 261 A K G 34 S+ 0 0 84 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.677 107.8 44.2 -70.7 -19.4 -9.7 -17.5 12.3 258 262 A K G <4 S+ 0 0 156 -3,-1.8 -1,-0.2 2,-0.1 2,-0.1 0.487 90.9 106.3-102.7 -6.0 -9.5 -14.1 14.2 259 263 A R S << S- 0 0 11 -4,-0.7 -8,-0.2 -3,-0.7 2,-0.1 -0.395 83.8 -94.2 -73.8 147.5 -5.8 -14.2 14.9 260 264 A M - 0 0 20 -10,-2.2 -1,-0.1 -13,-0.1 2,-0.1 -0.410 41.7-134.6 -59.7 135.0 -3.5 -11.9 12.9 261 265 A T > - 0 0 51 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.422 24.1-104.1 -84.7 170.3 -1.9 -13.7 9.8 262 266 A I H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.916 121.3 51.2 -61.0 -42.3 1.8 -13.4 8.9 263 267 A Q H > S+ 0 0 96 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.930 111.5 46.8 -62.9 -44.8 1.1 -11.0 6.1 264 268 A D H >> S+ 0 0 92 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.888 105.9 59.5 -67.6 -31.3 -0.9 -8.7 8.4 265 269 A S H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 6,-0.3 0.872 102.9 52.8 -60.4 -37.7 1.8 -8.9 11.1 266 270 A L H 3< S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.740 111.4 46.8 -72.6 -19.6 4.3 -7.4 8.6 267 271 A Q H << S+ 0 0 107 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.473 83.3 117.4 -96.4 -5.1 1.9 -4.5 7.9 268 272 A H S XX S- 0 0 9 -3,-0.7 4,-3.0 -4,-0.7 3,-1.3 -0.377 75.4-121.5 -65.0 140.3 1.2 -3.8 11.6 269 273 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.684 110.0 63.1 -67.2 -14.0 2.4 -0.3 12.5 270 274 A W T 34 S+ 0 0 0 -27,-0.3 -157,-0.1 2,-0.1 -26,-0.1 0.853 117.0 31.1 -69.0 -33.6 4.7 -1.6 15.2 271 275 A I T <4 S+ 0 0 7 -3,-1.3 -1,-0.1 -6,-0.3 -5,-0.1 0.858 137.9 23.7 -87.2 -43.0 6.6 -3.4 12.5 272 276 A K S < S- 0 0 106 -4,-3.0 -1,-0.2 0, 0.0 -2,-0.1 -0.762 85.0-148.8-127.1 81.8 5.9 -0.9 9.6 273 277 A P - 0 0 38 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.216 6.3-157.3 -58.7 141.2 5.2 2.6 11.1 274 278 A K S S+ 0 0 176 1,-0.1 2,-0.3 -5,-0.0 3,-0.0 0.588 73.0 18.3 -93.0 -16.5 2.8 4.7 9.0 275 279 A D S > S- 0 0 70 -6,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.959 82.1-102.0-149.5 169.7 3.9 8.1 10.4 276 280 A T H > S+ 0 0 116 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.784 115.5 58.0 -64.7 -29.7 6.8 9.7 12.3 277 281 A Q H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 107.5 46.6 -70.3 -47.0 5.0 9.7 15.7 278 282 A Q H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 112.5 51.3 -54.3 -45.7 4.5 6.0 15.6 279 283 A A H X S+ 0 0 30 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.925 109.1 49.7 -63.1 -42.5 8.2 5.5 14.6 280 284 A L H X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.856 105.9 57.1 -66.2 -33.0 9.4 7.7 17.4 281 285 A S H X S+ 0 0 40 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.912 109.2 46.2 -62.1 -38.7 7.3 5.8 19.9 282 286 A R H < S+ 0 0 33 -4,-1.8 -172,-1.4 1,-0.2 -173,-0.5 0.853 112.5 50.2 -72.1 -34.4 9.1 2.6 18.9 283 287 A K H < S+ 0 0 99 -4,-1.9 -2,-0.2 -174,-0.2 -1,-0.2 0.887 114.2 43.5 -70.9 -37.1 12.5 4.2 19.1 284 288 A A H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.765 98.8 85.5 -81.0 -27.7 12.0 5.6 22.6 285 289 A S < - 0 0 19 -4,-1.5 -176,-2.4 -5,-0.2 -175,-0.4 -0.397 61.2-171.8 -78.2 153.9 10.4 2.5 24.0 286 290 A A B -J 108 0D 27 -47,-1.5 -178,-0.2 -178,-0.3 -47,-0.2 -0.963 23.5 -97.9-147.9 161.5 12.6 -0.3 25.5 287 291 A V - 0 0 13 -180,-2.7 2,-1.9 -2,-0.3 -180,-0.3 -0.393 38.9-109.5 -74.6 154.5 12.7 -3.7 26.8 288 292 A N >> + 0 0 21 -81,-1.9 4,-2.4 -52,-0.3 3,-0.5 -0.578 46.6 176.5 -81.7 79.2 12.8 -4.6 30.5 289 293 A M H 3> + 0 0 17 -2,-1.9 4,-2.8 1,-0.2 5,-0.2 0.825 69.2 57.2 -62.1 -39.7 16.4 -5.7 30.3 290 294 A E H 3> S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 116.5 38.0 -59.4 -37.8 17.1 -6.5 33.9 291 295 A K H <> S+ 0 0 54 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.844 113.3 56.3 -81.8 -32.7 14.1 -8.9 33.8 292 296 A F H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 105.8 51.5 -59.9 -46.4 15.0 -10.2 30.3 293 297 A K H X S+ 0 0 74 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.892 108.3 52.7 -56.1 -43.5 18.5 -11.1 31.5 294 298 A K H X S+ 0 0 118 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.885 107.8 50.4 -60.2 -43.4 17.0 -13.1 34.4 295 299 A F H X S+ 0 0 45 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.931 113.4 45.1 -59.4 -48.1 14.7 -15.0 32.0 296 300 A A H < S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.9 47.4 -66.7 -40.3 17.6 -16.0 29.8 297 301 A A H < S+ 0 0 87 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.825 108.2 56.4 -68.7 -33.7 19.9 -16.9 32.6 298 302 A A H < 0 0 90 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.901 360.0 360.0 -69.1 -42.9 17.3 -19.0 34.4 299 303 A K < 0 0 115 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.837 360.0 360.0 -80.2 360.0 16.6 -21.3 31.4