==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-05 1ZTF . COMPND 2 MOLECULE: RIO1 SERINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR A.WLODAWER,N.LARONDE-LEBLANC . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 0 0 1 1 0 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 2 0 0 0 0 1 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 1 0 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 K 0 0 260 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 123.5 44.6 37.6 -25.4 2 6 A K - 0 0 188 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.826 360.0-103.6-110.2 132.5 43.1 38.8 -22.1 3 7 A I - 0 0 105 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.246 26.7-136.3 -44.8 145.1 43.5 36.9 -18.9 4 8 A E S S- 0 0 207 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.843 74.2 -13.1 -73.6 -36.1 40.3 35.1 -18.0 5 9 A S - 0 0 41 27,-0.0 3,-0.4 24,-0.0 -1,-0.2 -0.949 63.5-106.4-158.8 172.6 40.1 36.0 -14.4 6 10 A Y S > S+ 0 0 153 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.145 72.6 122.9-101.1 27.0 42.1 37.5 -11.5 7 11 A L G > + 0 0 2 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.830 61.9 67.8 -59.1 -36.1 42.7 34.2 -9.7 8 12 A D G 3 S+ 0 0 83 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.543 84.7 72.1 -68.1 1.4 46.4 34.5 -9.8 9 13 A K G < S+ 0 0 131 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.647 82.5 86.7 -85.8 -15.4 46.3 37.4 -7.4 10 14 A L S < S- 0 0 8 -3,-2.0 2,-0.9 -4,-0.3 26,-0.1 -0.620 84.6-123.4 -80.7 151.9 45.3 35.0 -4.6 11 15 A R + 0 0 183 -2,-0.2 36,-3.2 33,-0.1 2,-0.5 -0.811 39.1 173.4 -95.0 103.7 48.1 33.3 -2.7 12 16 A I B > -a 47 0A 14 -2,-0.9 3,-0.6 34,-0.2 36,-0.2 -0.979 27.5-131.1-118.6 119.3 47.3 29.6 -3.1 13 17 A K T 3 S+ 0 0 55 34,-2.7 3,-0.2 -2,-0.5 33,-0.0 -0.374 88.5 9.9 -62.6 145.0 49.8 27.0 -1.7 14 18 A E T 3 S- 0 0 171 1,-0.2 2,-1.9 -2,-0.1 -1,-0.2 0.912 78.2-178.4 47.0 53.9 50.8 24.2 -4.1 15 19 A K < + 0 0 80 -3,-0.6 -1,-0.2 4,-0.1 2,-0.1 -0.532 19.9 149.5 -88.9 69.7 49.1 25.9 -7.0 16 20 A D > - 0 0 100 -2,-1.9 4,-2.7 -3,-0.2 5,-0.3 -0.215 65.6 -75.3 -75.6-173.4 49.8 23.3 -9.6 17 21 A G H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.925 129.8 40.1 -48.8 -61.7 47.6 22.5 -12.5 18 22 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.833 113.3 53.5 -67.8 -42.8 44.9 20.6 -10.7 19 23 A E H > S+ 0 0 33 1,-0.2 4,-2.0 -5,-0.2 -1,-0.2 0.930 109.7 48.7 -55.1 -51.7 44.8 22.9 -7.6 20 24 A R H X S+ 0 0 79 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.924 109.4 54.9 -54.4 -40.3 44.3 26.0 -9.8 21 25 A K H X S+ 0 0 99 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.898 104.9 51.9 -68.1 -33.7 41.5 24.1 -11.7 22 26 A I H X S+ 0 0 63 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.945 113.7 42.4 -64.4 -48.0 39.7 23.4 -8.6 23 27 A Y H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.913 113.0 53.1 -60.8 -43.5 39.7 27.0 -7.5 24 28 A A H < S+ 0 0 47 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 110.6 49.6 -66.6 -34.0 38.9 28.3 -11.0 25 29 A E H < S+ 0 0 155 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.887 118.9 34.6 -68.7 -40.7 35.9 25.9 -11.0 26 30 A V H < S+ 0 0 25 -4,-2.1 2,-0.4 -5,-0.2 -2,-0.2 0.773 101.1 77.9 -90.1 -26.1 34.4 27.0 -7.6 27 31 A L < - 0 0 19 -4,-2.6 2,-0.2 -5,-0.2 -20,-0.1 -0.688 60.8-160.3 -85.3 129.5 35.2 30.7 -7.3 28 32 A D > - 0 0 50 -2,-0.4 4,-2.3 1,-0.0 5,-0.1 -0.525 38.5 -98.7 -89.5 171.1 33.0 33.1 -9.3 29 33 A G H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.795 122.2 53.2 -65.2 -30.5 34.5 36.7 -9.9 30 34 A R H > S+ 0 0 144 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 110.8 45.7 -76.7 -33.3 32.6 38.2 -7.1 31 35 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.905 108.3 56.8 -73.9 -42.7 33.9 35.7 -4.6 32 36 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.884 106.4 50.9 -48.7 -45.8 37.4 36.1 -6.0 33 37 A K H X S+ 0 0 142 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.932 108.7 50.9 -64.0 -44.7 37.2 39.8 -5.3 34 38 A T H X S+ 0 0 10 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.911 110.6 48.2 -58.4 -48.7 36.1 39.2 -1.7 35 39 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.908 111.0 51.8 -58.1 -42.7 38.9 36.7 -1.0 36 40 A Y H >X S+ 0 0 111 -4,-2.3 4,-3.1 1,-0.2 3,-0.5 0.965 109.7 50.3 -57.0 -50.6 41.4 39.2 -2.5 37 41 A K H 3X S+ 0 0 98 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.899 108.9 50.3 -57.7 -41.4 40.0 41.9 -0.2 38 42 A L H 3<>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 6,-1.3 0.761 110.2 51.5 -64.5 -32.4 40.3 39.7 2.9 39 43 A S H X<5S+ 0 0 33 -4,-1.6 3,-2.1 -3,-0.5 -2,-0.2 0.935 109.8 48.7 -69.9 -43.3 43.9 38.9 2.0 40 44 A A H 3<5S+ 0 0 72 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.758 105.6 57.2 -70.3 -23.6 44.8 42.6 1.6 41 45 A K T 3<5S- 0 0 130 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.434 121.6-109.0 -80.1 -4.0 43.2 43.5 4.9 42 46 A G T < 5S+ 0 0 40 -3,-2.1 23,-0.3 2,-0.2 -3,-0.2 0.464 90.4 107.5 93.5 3.2 45.5 41.0 6.5 43 47 A Y S S- C 0 69A 61 3,-2.1 3,-1.9 -2,-0.4 -2,-0.0 -0.987 72.8 -6.8-134.9 133.8 43.4 37.3 13.7 67 71 A D T 3 S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 67,-0.0 0.928 129.3 -56.4 55.2 44.6 43.9 39.7 16.7 68 72 A G T 3 S+ 0 0 71 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.505 116.6 105.2 68.1 5.1 47.6 39.9 15.8 69 73 A K E < S-C 66 0A 143 -3,-1.9 -3,-2.1 0, 0.0 -1,-0.1 -0.936 74.7-107.7-119.2 145.2 48.3 36.1 16.0 70 74 A P E +C 65 0A 120 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.417 45.6 176.7 -65.1 134.5 48.8 33.5 13.4 71 75 A V E -C 64 0A 30 -7,-2.7 -7,-2.9 -2,-0.1 2,-0.5 -0.957 33.4-124.3-137.1 154.7 45.9 31.1 13.0 72 76 A A E -C 63 0A 35 -2,-0.3 73,-2.5 -9,-0.2 2,-0.3 -0.893 40.8-161.1 -95.9 134.8 44.7 28.2 10.9 73 77 A X E -CD 62 144A 0 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.5 -0.843 27.6-143.5-123.8 147.7 41.4 29.0 9.3 74 78 A A E -CD 61 143A 12 69,-3.0 69,-2.2 -2,-0.3 2,-0.7 -0.960 22.8-156.2-101.4 128.0 38.4 27.3 7.7 75 79 A V E -CD 60 142A 0 -15,-3.1 -15,-2.3 -2,-0.5 2,-0.5 -0.929 9.1-165.6-109.9 104.9 37.2 29.6 4.9 76 80 A K E -CD 59 141A 22 65,-3.0 65,-2.8 -2,-0.7 2,-0.6 -0.885 2.6-168.5 -99.1 122.7 33.6 28.8 4.2 77 81 A I E -CD 58 140A 11 -19,-3.1 -19,-2.2 -2,-0.5 2,-0.3 -0.958 10.8-147.8-119.2 108.0 32.2 30.2 1.0 78 82 A Y E -C 57 0A 7 61,-2.8 -21,-0.3 -2,-0.6 2,-0.2 -0.556 29.0-112.4 -67.2 132.5 28.4 30.2 0.4 79 83 A R - 0 0 98 -23,-2.2 -1,-0.1 -2,-0.3 -52,-0.1 -0.525 22.8-145.5 -66.3 132.3 27.4 29.8 -3.3 80 84 A I S S+ 0 0 25 -2,-0.2 2,-0.7 1,-0.0 29,-0.3 0.945 79.4 81.9 -75.3 -47.0 25.9 33.0 -4.4 81 85 A E + 0 0 98 -3,-0.1 2,-0.3 28,-0.0 -2,-0.1 -0.467 65.4 169.7 -48.6 104.1 23.4 31.6 -6.9 82 86 A T - 0 0 45 -2,-0.7 3,-0.1 1,-0.1 26,-0.1 -0.922 9.1-165.3-131.9 161.5 20.5 30.5 -4.5 83 87 A S + 0 0 57 1,-0.4 3,-0.4 -2,-0.3 2,-0.2 0.178 35.3 1.2 -96.3-170.9 16.9 29.3 -5.3 84 88 A E S S- 0 0 92 1,-0.2 -1,-0.4 0, 0.0 0, 0.0 -0.239 107.9 -45.5 35.6 70.0 13.7 28.5 -4.6 85 89 A F S S- 0 0 83 -2,-0.2 -1,-0.2 1,-0.1 5,-0.1 0.579 75.0-143.6 35.6 55.1 12.7 29.2 -1.1 86 90 A D >> - 0 0 15 -3,-0.4 4,-1.4 1,-0.1 3,-0.8 -0.056 21.9-114.7 -39.9 142.3 15.7 27.6 0.7 87 91 A K H 3> S+ 0 0 80 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.794 120.3 61.2 -41.0 -32.7 15.5 25.7 3.9 88 92 A X H 3> S+ 0 0 11 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.748 92.4 60.0 -84.9 -21.5 17.6 28.7 5.1 89 93 A D H X4 S+ 0 0 54 -3,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.904 108.6 47.2 -54.1 -44.6 14.9 31.3 4.3 90 94 A E H >< S+ 0 0 94 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.733 98.0 69.0 -70.6 -26.1 12.8 29.4 6.7 91 95 A Y H 3< S+ 0 0 20 -4,-0.8 123,-0.4 1,-0.3 -1,-0.2 0.715 91.8 64.3 -72.7 -15.1 15.5 29.3 9.3 92 96 A L T X< S+ 0 0 38 -3,-0.8 3,-2.3 -4,-0.6 -1,-0.3 0.618 71.4 122.7 -75.5 -12.2 15.1 33.0 9.7 93 97 A Y T < S+ 0 0 127 -3,-1.4 121,-0.2 1,-0.3 3,-0.1 -0.308 84.0 5.7 -60.9 129.5 11.5 32.9 11.1 94 98 A G T 3 S+ 0 0 22 1,-0.2 2,-0.9 123,-0.1 -1,-0.3 0.418 90.0 139.5 83.7 1.2 11.2 34.5 14.4 95 99 A D X - 0 0 9 -3,-2.3 3,-1.9 1,-0.2 -1,-0.2 -0.707 34.1-168.9 -87.1 104.2 14.8 35.8 14.4 96 100 A E T 3 S+ 0 0 153 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.697 78.9 73.3 -66.9 -17.4 14.7 39.3 15.8 97 101 A R T 3 S+ 0 0 48 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.719 95.7 55.6 -70.1 -16.2 18.3 39.9 14.7 98 102 A F S < S- 0 0 25 -3,-1.9 2,-0.8 -6,-0.2 -1,-0.1 -0.972 70.8-151.8-134.7 124.3 17.3 40.1 11.2 99 103 A D > - 0 0 105 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.818 3.0-164.0-102.4 101.1 14.7 42.6 9.7 100 104 A X G > S+ 0 0 149 -2,-0.8 3,-3.5 1,-0.3 -1,-0.2 0.926 88.9 72.9 -44.0 -42.5 13.0 41.2 6.5 101 105 A R G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.638 103.3 41.8 -54.1 -6.0 11.8 44.8 6.0 102 106 A R G < S+ 0 0 83 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.454 102.5 83.3-115.5 -4.0 15.5 45.5 5.0 103 107 A I < - 0 0 41 -3,-3.5 5,-0.0 -4,-0.3 -5,-0.0 -0.886 52.5-161.9-130.2 144.8 16.3 42.5 3.0 104 108 A S > - 0 0 53 -2,-0.4 3,-1.6 1,-0.0 4,-0.3 -0.803 34.1-111.4-128.6 150.2 15.8 41.4 -0.6 105 109 A P G > S+ 0 0 113 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.770 112.2 62.7 -59.8 -23.4 15.9 38.1 -2.3 106 110 A K G 3 S+ 0 0 170 1,-0.2 3,-0.3 2,-0.1 -24,-0.1 0.849 106.7 40.4 -70.2 -30.8 19.1 39.0 -4.1 107 111 A E G X> S+ 0 0 82 -3,-1.6 3,-1.1 1,-0.2 4,-1.0 0.243 77.6 114.8-102.3 11.8 21.2 39.4 -1.0 108 112 A K H X> + 0 0 21 -3,-0.9 4,-1.6 -4,-0.3 3,-0.6 0.840 69.7 58.4 -63.0 -35.6 19.9 36.5 0.9 109 113 A V H 3> S+ 0 0 2 -3,-0.3 4,-1.8 -29,-0.3 -1,-0.3 0.815 102.7 57.8 -55.7 -30.5 23.2 34.4 0.9 110 114 A F H <> S+ 0 0 35 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.815 105.5 49.0 -71.6 -33.7 24.9 37.4 2.7 111 115 A I H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 3,-0.5 0.928 111.5 52.3 -63.0 -43.7 27.4 29.9 20.9 124 128 A K H ><5S+ 0 0 80 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.941 106.8 53.4 -57.0 -44.7 31.1 30.7 21.9 125 129 A E H 3<5S+ 0 0 169 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.2 53.5 -62.9 -23.0 29.9 33.2 24.5 126 130 A A T <<5S- 0 0 16 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.315 122.5-103.3 -94.0 3.2 27.7 30.5 26.0 127 131 A G T < 5 + 0 0 31 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.712 69.5 151.2 83.5 18.0 30.5 28.0 26.4 128 132 A V < - 0 0 4 -5,-2.5 2,-1.3 -6,-0.2 -1,-0.3 -0.686 53.3-119.1 -81.8 136.9 29.5 25.9 23.5 129 133 A S + 0 0 15 -2,-0.3 77,-2.9 75,-0.0 -5,-0.1 -0.647 63.8 131.7 -76.5 91.3 32.4 24.0 21.8 130 134 A V - 0 0 1 -2,-1.3 77,-0.2 75,-0.2 2,-0.0 -0.900 67.1 -75.2-129.7 162.7 32.2 25.6 18.2 131 135 A P - 0 0 3 0, 0.0 -7,-0.1 0, 0.0 14,-0.1 -0.299 53.6-108.4 -55.9 136.6 35.0 27.1 15.9 132 136 A Q - 0 0 67 13,-0.1 12,-2.4 1,-0.1 2,-0.3 -0.474 36.7-128.3 -64.6 127.8 36.0 30.5 17.1 133 137 A P E +E 143 0A 3 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.616 28.8 179.4 -81.8 142.2 34.6 32.9 14.5 134 138 A Y E - 0 0 25 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.867 52.4 -48.4-102.9 -67.9 37.1 35.4 13.0 135 139 A T E -E 142 0A 21 7,-1.2 7,-3.0 2,-0.0 -1,-0.4 -0.964 43.5-146.7-153.4 177.7 35.3 37.6 10.5 136 140 A Y E -E 141 0A 73 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.986 9.1-177.9-144.3 162.5 33.0 37.5 7.6 137 141 A X E > -E 140 0A 30 3,-2.4 3,-2.0 -2,-0.3 2,-0.1 -0.875 63.5 -41.4-155.6 124.0 32.4 39.5 4.3 138 142 A K T 3 S- 0 0 88 -2,-0.3 -24,-0.1 1,-0.2 -25,-0.1 -0.447 127.5 -15.3 62.0-130.8 29.7 39.0 1.7 139 143 A N T 3 S+ 0 0 2 -61,-0.1 -61,-2.8 -2,-0.1 2,-0.5 0.153 119.3 95.0 -89.5 15.6 29.4 35.1 1.2 140 144 A V E < -DE 77 137A 0 -3,-2.0 -3,-2.4 -63,-0.2 2,-0.4 -0.922 49.7-175.3-111.3 128.0 32.7 34.3 3.0 141 145 A L E -DE 76 136A 0 -65,-2.8 -65,-3.0 -2,-0.5 2,-0.5 -0.966 9.4-156.0-124.6 132.3 33.1 33.4 6.6 142 146 A L E +DE 75 135A 0 -7,-3.0 -8,-2.8 -2,-0.4 -7,-1.2 -0.935 26.3 152.3-111.0 122.3 36.5 32.9 8.3 143 147 A X E -DE 74 133A 11 -69,-2.2 -69,-3.0 -2,-0.5 -11,-0.1 -0.939 47.2 -62.2-141.5 176.6 36.7 30.8 11.3 144 148 A E E -D 73 0A 59 -12,-2.4 2,-0.3 -2,-0.3 -71,-0.3 -0.291 47.9-123.6 -61.8 130.8 39.0 28.5 13.4 145 149 A F - 0 0 16 -73,-2.5 2,-0.8 -83,-0.1 -73,-0.1 -0.595 17.7-152.1 -72.8 123.8 40.3 25.4 11.7 146 150 A I + 0 0 10 -2,-0.3 7,-2.3 7,-0.1 2,-0.3 -0.916 65.8 57.0-100.1 106.5 39.3 22.3 13.8 147 151 A G E S-F 152 0B 17 -2,-0.8 2,-0.3 5,-0.3 54,-0.0 -0.964 82.0 -94.5 164.1-167.4 42.1 19.8 12.9 148 152 A E E > S-F 151 0B 134 3,-2.3 3,-1.8 -2,-0.3 -2,-0.1 -0.987 88.7 -4.8-150.4 128.8 45.8 19.6 13.0 149 153 A D T 3 S- 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.891 131.0 -50.7 59.8 47.8 48.5 20.3 10.4 150 154 A E T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -88,-0.1 -101,-0.1 0.511 113.6 117.1 65.0 16.8 45.9 21.0 7.7 151 155 A L E < -F 148 0B 126 -3,-1.8 -3,-2.3 3,-0.0 -1,-0.2 -0.903 64.1-131.3-111.8 119.2 44.0 17.7 8.4 152 156 A P E -F 147 0B 53 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.267 28.9 -99.3 -68.2 147.8 40.5 18.4 9.6 153 157 A A - 0 0 4 -7,-2.3 2,-0.2 1,-0.1 48,-0.1 -0.378 44.2-100.7 -62.7 148.3 39.3 16.5 12.6 154 158 A P - 0 0 44 0, 0.0 46,-2.8 0, 0.0 -1,-0.1 -0.466 30.7-126.5 -66.8 145.0 37.2 13.5 12.1 155 159 A T B > -G 199 0C 14 44,-0.3 4,-1.9 -2,-0.2 44,-0.3 -0.299 29.1-104.6 -76.8 166.7 33.5 13.6 12.5 156 160 A L H > S+ 0 0 0 42,-2.4 4,-2.0 39,-0.4 40,-0.1 0.896 122.6 52.5 -64.9 -41.0 31.7 11.2 14.7 157 161 A V H 4 S+ 0 0 51 38,-1.9 -1,-0.2 41,-0.3 39,-0.1 0.874 108.2 50.8 -63.7 -40.1 30.4 9.3 11.8 158 162 A E H 4 S+ 0 0 139 37,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 112.4 48.7 -56.9 -38.5 34.0 8.9 10.4 159 163 A L H >< S+ 0 0 33 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.928 79.2 146.0 -69.6 -41.1 35.2 7.7 13.9 160 164 A G G >< S+ 0 0 7 -4,-2.0 3,-3.4 1,-0.3 4,-0.4 -0.105 72.1 11.1 33.3-112.8 32.5 5.1 14.4 161 165 A R G > S+ 0 0 198 1,-0.4 3,-1.0 2,-0.2 -1,-0.3 0.692 118.1 74.5 -70.3 -15.9 33.6 2.0 16.2 162 166 A E G X S+ 0 0 99 -3,-2.3 3,-2.1 1,-0.3 -1,-0.4 0.666 77.7 74.8 -69.1 -17.8 36.7 3.8 17.1 163 167 A L G X S+ 0 0 0 -3,-3.4 3,-2.9 1,-0.3 4,-0.3 0.875 82.2 69.7 -65.8 -34.8 34.7 5.9 19.6 164 168 A K G < S+ 0 0 123 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.602 95.3 54.3 -55.1 -14.2 34.7 2.7 21.7 165 169 A E G < S+ 0 0 159 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.432 108.3 50.0 -98.1 1.4 38.5 3.4 22.2 166 170 A L S < S- 0 0 63 -3,-2.9 -2,-0.2 -4,-0.1 -1,-0.1 0.196 125.0 -85.0-125.1 13.1 37.8 7.0 23.5 167 171 A D >> - 0 0 89 -4,-0.3 4,-2.4 -3,-0.2 3,-0.7 0.956 43.9-164.0 84.9 67.1 35.1 6.6 26.2 168 172 A V H 3> S+ 0 0 11 1,-0.3 4,-2.1 -5,-0.2 5,-0.2 0.816 86.8 58.4 -61.9 -19.5 32.1 6.7 24.0 169 173 A E H 3> S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.907 106.6 44.8 -80.1 -35.1 30.0 7.3 27.1 170 174 A G H <> S+ 0 0 24 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.887 110.4 56.1 -73.1 -39.8 31.9 10.5 28.0 171 175 A I H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 3,-0.2 0.936 107.3 48.4 -52.2 -47.5 31.7 11.6 24.4 172 176 A F H X S+ 0 0 6 -4,-2.1 4,-3.5 1,-0.3 -2,-0.2 0.947 112.2 49.2 -61.6 -42.6 27.9 11.3 24.4 173 177 A N H X S+ 0 0 95 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.798 108.7 52.7 -64.8 -34.6 27.7 13.3 27.7 174 178 A D H X S+ 0 0 47 -4,-1.9 4,-2.0 -3,-0.2 -2,-0.2 0.927 109.7 49.7 -64.6 -49.2 30.0 16.0 26.1 175 179 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.950 112.2 49.2 -55.9 -46.1 27.5 16.2 23.1 176 180 A V H X S+ 0 0 13 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.879 107.4 51.1 -64.2 -39.9 24.7 16.5 25.7 177 181 A E H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.875 110.4 52.4 -63.1 -38.6 26.3 19.2 27.7 178 182 A N H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 108.5 47.9 -66.1 -38.6 26.9 21.2 24.4 179 183 A V H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.896 112.3 51.6 -68.0 -34.2 23.3 21.0 23.4 180 184 A K H X S+ 0 0 49 -4,-1.9 4,-3.0 -5,-0.2 5,-0.4 0.937 110.9 45.7 -64.2 -50.0 22.3 22.1 26.9 181 185 A R H X>S+ 0 0 103 -4,-2.5 5,-2.0 1,-0.2 4,-1.8 0.898 113.3 51.6 -59.2 -39.6 24.5 25.1 26.9 182 186 A L H <5S+ 0 0 4 -4,-2.2 6,-2.6 -5,-0.2 5,-0.2 0.912 117.0 39.1 -66.6 -41.3 23.3 25.9 23.3 183 187 A Y H <5S+ 0 0 40 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.954 124.7 35.1 -72.0 -47.7 19.7 25.7 24.4 184 188 A Q H <5S+ 0 0 66 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.910 132.6 19.3 -87.2 -39.7 19.9 27.4 27.8 185 189 A E T <5S+ 0 0 135 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.829 133.2 36.2 -99.5 -40.9 22.6 30.1 27.5 186 190 A A S -I 212 0D 5 -2,-0.4 3,-0.5 22,-0.3 22,-0.3 -0.608 14.7-143.2 -70.2 129.5 20.4 23.2 15.8 191 195 A A T 3 S+ 0 0 5 20,-3.9 -1,-0.2 -2,-0.3 21,-0.1 0.758 92.2 10.4 -64.0 -25.7 18.0 22.4 12.9 192 196 A D T 3 S- 0 0 71 19,-0.4 2,-0.3 2,-0.1 -1,-0.2 -0.354 74.3-178.5-161.5 68.1 19.7 19.0 12.2 193 197 A L < + 0 0 2 -3,-0.5 2,-0.3 30,-0.2 37,-0.1 -0.583 25.1 138.2 -73.1 127.4 22.2 17.9 14.7 194 198 A S > - 0 0 12 -2,-0.3 3,-1.6 36,-0.1 4,-0.2 -0.953 69.4 -82.0-159.8 173.1 23.9 14.6 13.8 195 199 A E T 3 S+ 0 0 30 -2,-0.3 -38,-1.9 1,-0.2 -39,-0.4 0.600 119.9 66.2 -61.2 -12.8 27.0 12.4 13.6 196 200 A Y T 3 S+ 0 0 160 1,-0.2 -1,-0.2 -40,-0.1 -41,-0.1 0.689 107.0 34.4 -82.3 -20.4 27.7 14.3 10.3 197 201 A N S < S+ 0 0 16 -3,-1.6 10,-2.1 -5,-0.1 11,-0.5 0.035 98.7 89.4-126.0 24.2 28.2 17.8 11.8 198 202 A I E - H 0 206C 0 -3,-0.2 -42,-2.4 8,-0.2 -41,-0.3 -0.989 57.7-164.5-119.5 120.9 30.0 16.9 15.1 199 203 A X E -GH 155 205C 29 6,-2.7 6,-2.2 -2,-0.5 2,-0.3 -0.710 2.9-158.5 -99.6 164.6 33.7 16.6 15.1 200 204 A Y E + H 0 204C 32 -46,-2.8 4,-0.2 -2,-0.3 -2,-0.0 -0.984 32.1 141.0-146.9 125.1 36.1 15.1 17.7 201 205 A I S S- 0 0 51 2,-1.5 3,-0.1 -2,-0.3 -1,-0.1 0.526 99.3 -30.2-117.5 -73.2 39.8 15.5 18.5 202 206 A D S S+ 0 0 117 1,-0.4 2,-0.3 2,-0.0 -2,-0.1 0.219 138.5 12.9-126.3 11.9 40.0 15.4 22.3 203 207 A K S S- 0 0 92 -74,-0.0 -2,-1.5 -4,-0.0 -1,-0.4 -0.908 95.5 -78.2-166.2 165.1 36.5 16.8 22.9 204 208 A V E -H 200 0C 0 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.499 35.6-169.4 -74.6 146.8 33.4 17.5 20.8 205 209 A Y E -H 199 0C 30 -6,-2.2 -6,-2.7 -2,-0.2 2,-0.5 -0.996 16.2-145.3-131.5 134.2 33.0 20.4 18.5 206 210 A F E -H 198 0C 1 -77,-2.9 -8,-0.2 -2,-0.4 3,-0.2 -0.902 24.2-178.7 -94.6 122.6 29.7 21.4 16.7 207 211 A I + 0 0 45 -10,-2.1 2,-0.2 -2,-0.5 -9,-0.1 0.512 55.2 58.0-120.1 -1.1 30.8 22.7 13.4 208 212 A D > + 0 0 31 -11,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.477 48.0 162.3-126.1 81.2 27.9 24.0 11.2 209 213 A X G > + 0 0 0 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.420 56.2 86.7 -78.0 4.0 26.2 26.6 13.0 210 214 A G G 3 S+ 0 0 1 1,-0.2 2,-0.4 -91,-0.1 -1,-0.3 0.800 83.3 60.4 -72.0 -25.7 24.4 28.0 10.0 211 215 A Q G < S+ 0 0 32 -3,-1.5 -20,-3.9 -19,-0.1 -19,-0.4 -0.192 82.2 111.8 -92.1 36.4 21.6 25.6 10.4 212 216 A A E < -I 190 0D 0 -3,-0.7 2,-0.3 -2,-0.4 -22,-0.3 -0.916 48.5-161.0-115.4 138.2 20.6 26.8 13.9 213 217 A V E -I 189 0D 0 -24,-2.7 -24,-2.0 -2,-0.4 -121,-0.1 -0.840 22.0-110.7-115.5 154.3 17.3 28.7 14.7 214 218 A T E > -I 188 0D 11 -123,-0.4 3,-1.6 -2,-0.3 -26,-0.2 -0.339 37.1-102.6 -72.3 168.4 16.4 30.9 17.7 215 219 A L T 3 S+ 0 0 58 -28,-0.9 6,-0.2 1,-0.3 5,-0.1 0.659 118.1 67.0 -71.1 -15.2 13.8 29.7 20.3 216 220 A R T 3 S+ 0 0 155 -122,-0.2 -1,-0.3 4,-0.1 -121,-0.1 0.424 75.5 110.5 -75.5 -5.8 11.1 31.9 18.7 217 221 A H S X S- 0 0 9 -3,-1.6 3,-2.2 1,-0.1 4,-0.3 -0.557 77.7-127.0 -67.4 132.7 11.2 29.7 15.6 218 222 A P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.845 108.4 44.4 -50.0 -33.0 8.0 27.7 15.3 219 223 A X T 3> S+ 0 0 69 1,-0.2 4,-3.1 2,-0.1 5,-0.3 0.262 79.4 109.1 -99.6 11.8 9.9 24.5 14.9 220 224 A A H <> S+ 0 0 8 -3,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.951 83.7 43.4 -50.6 -51.2 12.5 25.0 17.8 221 225 A E H > S+ 0 0 65 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.929 115.1 48.4 -67.3 -42.4 11.0 22.5 20.0 222 226 A S H > S+ 0 0 51 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.893 111.9 49.2 -62.2 -45.7 10.5 19.9 17.3 223 227 A Y H X S+ 0 0 28 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.877 109.3 53.5 -63.3 -41.3 14.0 20.4 16.0 224 228 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.920 110.2 46.0 -57.2 -46.2 15.4 20.0 19.6 225 229 A E H X S+ 0 0 59 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.902 112.2 51.6 -69.1 -32.9 13.6 16.7 20.1 226 230 A R H X S+ 0 0 97 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.917 108.3 51.2 -64.4 -38.9 14.7 15.4 16.8 227 231 A D H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.896 109.3 51.2 -64.0 -42.9 18.3 16.3 17.6 228 232 A V H X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.888 112.1 47.1 -63.5 -38.2 18.0 14.4 20.9 229 233 A R H X S+ 0 0 110 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.879 110.4 51.4 -68.4 -47.2 16.7 11.4 19.0 230 234 A N H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.860 112.2 47.7 -52.5 -43.0 19.4 11.5 16.4 231 235 A I H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.908 114.2 43.9 -75.6 -40.6 22.0 11.7 19.1 232 236 A I H X S+ 0 0 30 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.971 112.8 54.3 -72.2 -45.8 20.6 8.7 21.1 233 237 A R H X S+ 0 0 139 -4,-3.1 4,-1.1 2,-0.2 -1,-0.2 0.905 112.6 42.2 -41.7 -52.5 20.1 6.8 17.9 234 238 A F H < S+ 0 0 4 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.948 118.6 42.5 -72.5 -42.5 23.7 7.2 16.9 235 239 A F H ><>S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 5,-1.4 0.741 102.8 66.2 -75.5 -22.4 25.3 6.6 20.2 236 240 A S H ><5S+ 0 0 44 -4,-2.5 3,-2.4 1,-0.3 -1,-0.2 0.914 91.4 67.3 -65.9 -36.3 23.0 3.7 21.1 237 241 A K T 3<5S+ 0 0 144 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.580 102.0 47.6 -48.7 -16.2 24.8 1.9 18.1 238 242 A Y T < 5S- 0 0 37 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.144 128.0 -92.9-127.1 18.6 27.9 1.9 20.2 239 243 A G T < 5S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.4 -3,-0.2 0.291 80.3 133.6 94.9 -3.1 26.5 0.7 23.5 240 244 A V < - 0 0 15 -5,-1.4 2,-0.5 -8,-0.1 -1,-0.4 -0.609 39.5-160.4 -65.7 131.0 25.6 3.9 25.2 241 245 A K + 0 0 144 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.979 21.0 156.6-119.2 129.2 22.1 3.5 26.6 242 246 A A - 0 0 38 -2,-0.5 2,-0.5 -10,-0.1 -6,-0.0 -0.992 37.1-113.4-152.1 158.1 20.2 6.7 27.5 243 247 A D > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.855 12.2-145.4-101.2 126.4 16.6 7.9 27.9 244 248 A F H > S+ 0 0 45 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.915 101.4 43.4 -38.0 -64.6 14.9 10.4 25.6 245 249 A E H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.833 114.6 51.7 -67.7 -25.3 12.8 12.1 28.2 246 250 A E H > S+ 0 0 125 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.846 113.9 42.7 -78.4 -35.9 15.8 12.2 30.7 247 251 A X H X S+ 0 0 37 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.907 112.7 52.6 -70.7 -44.1 18.2 13.8 28.1 248 252 A L H X S+ 0 0 15 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.922 112.2 47.0 -55.3 -46.8 15.5 16.2 26.9 249 253 A K H X S+ 0 0 137 -4,-1.8 4,-3.2 -5,-0.3 -1,-0.2 0.905 109.7 53.0 -56.9 -45.9 15.1 17.1 30.6 250 254 A E H < S+ 0 0 66 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.9 41.9 -56.5 -45.2 18.9 17.5 31.0 251 255 A V H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.881 119.4 43.1 -66.4 -41.0 19.0 19.9 28.1 252 256 A K H < 0 0 68 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.851 360.0 360.0 -90.7 -30.0 15.9 21.8 29.0 253 257 A G < 0 0 69 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.271 360.0 360.0 63.9 360.0 16.5 22.2 32.7