==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JUN-13 4BTK . COMPND 2 MOLECULE: TAU-TUBULIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,P.WAN,P.HILLERTZ,F.SCHWEIKART,Y.ZHAO,L.WISSLER,N.DEKKE . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.2 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 1 0 1 0 0 0 3 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 2 1 1 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 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 46 A D 0 0 129 0, 0.0 23,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 128.7 62.0 34.9 33.7 2 47 A I + 0 0 58 1,-0.2 40,-0.0 39,-0.1 22,-0.0 0.912 360.0 38.0 -65.1 -48.4 61.8 32.6 36.8 3 48 A L S S- 0 0 2 4,-0.0 -1,-0.2 38,-0.0 2,-0.1 -0.927 80.4-144.6-111.3 124.2 65.6 32.1 36.8 4 49 A P > - 0 0 82 0, 0.0 3,-1.6 0, 0.0 11,-0.2 -0.469 41.7 -79.4 -80.0 161.4 68.0 34.9 35.9 5 50 A A T 3 S+ 0 0 65 1,-0.2 11,-0.2 -2,-0.1 3,-0.1 -0.308 117.5 24.0 -60.9 141.8 71.3 34.2 34.0 6 51 A N T 3 S+ 0 0 105 9,-3.2 -1,-0.2 1,-0.3 10,-0.1 0.211 84.2 141.9 82.4 -5.1 74.1 32.7 36.3 7 52 A Y < - 0 0 68 -3,-1.6 8,-3.0 7,-0.1 2,-0.5 -0.386 44.8-140.6 -63.0 137.4 71.6 31.3 38.9 8 53 A V E -A 14 0A 45 6,-0.2 2,-0.5 -3,-0.1 3,-0.4 -0.936 7.1-149.5-110.2 122.0 72.9 27.9 40.2 9 54 A V E >> S-A 13 0A 2 4,-2.9 4,-2.5 -2,-0.5 3,-1.8 -0.799 78.7 -16.7 -93.1 125.1 70.3 25.1 40.8 10 55 A K T 34 S- 0 0 129 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.836 116.0 -72.5 48.2 41.8 71.2 22.6 43.6 11 56 A D T 34 S+ 0 0 155 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.765 132.2 69.0 47.5 33.7 74.9 23.8 43.5 12 57 A R T <4 S+ 0 0 60 -3,-1.8 19,-3.7 1,-0.2 2,-0.7 0.541 79.8 62.2-143.7 -40.4 75.2 22.0 40.1 13 58 A W E < -AB 9 30A 1 -4,-2.5 -4,-2.9 17,-0.2 2,-0.4 -0.874 61.4-165.8-109.8 104.2 73.3 23.5 37.2 14 59 A K E -AB 8 29A 66 15,-2.5 15,-3.0 -2,-0.7 2,-0.4 -0.773 24.5-118.6 -91.6 126.4 74.3 27.1 36.3 15 60 A V E + B 0 28A 1 -8,-3.0 -9,-3.2 -2,-0.4 13,-0.2 -0.475 36.4 167.8 -70.9 119.9 71.9 29.1 34.1 16 61 A L E - 0 0 71 11,-2.3 2,-0.3 -2,-0.4 12,-0.2 0.904 62.5 -30.7 -93.9 -55.4 73.5 30.2 30.7 17 62 A K E - B 0 27A 118 10,-1.5 10,-3.2 -12,-0.1 2,-0.4 -0.984 57.4 -99.1-162.3 159.0 70.4 31.4 28.8 18 63 A K E - B 0 26A 77 -2,-0.3 8,-0.3 8,-0.3 -13,-0.0 -0.701 33.1-173.9 -81.5 127.2 66.6 30.9 28.2 19 64 A I S S- 0 0 78 6,-2.8 7,-0.2 -2,-0.4 -1,-0.2 0.853 71.1 -22.1 -93.8 -37.7 66.1 28.8 25.1 20 65 A G 0 0 61 5,-1.4 6,-0.1 0, 0.0 -2,-0.1 0.564 360.0 360.0-147.5 -23.3 62.3 28.8 24.6 21 66 A G 0 0 44 4,-0.8 3,-0.4 0, 0.0 19,-0.0 0.790 360.0 360.0 78.9 360.0 60.3 29.7 27.8 22 ! 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 23 70 A G 0 0 59 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-141.4 57.0 27.0 32.5 24 71 A E E - C 0 41A 28 17,-1.1 17,-2.8 -3,-0.4 2,-0.4 -0.895 360.0-146.7-165.1 138.5 60.4 28.0 31.1 25 72 A I E - C 0 40A 41 -2,-0.3 -6,-2.8 15,-0.2 -5,-1.4 -0.967 20.3-178.0-119.7 124.4 63.3 26.1 29.4 26 73 A Y E -BC 18 39A 2 13,-3.4 13,-2.7 -2,-0.4 2,-0.5 -0.883 29.6-126.2-121.2 152.4 67.0 27.1 29.9 27 74 A E E -BC 17 38A 26 -10,-3.2 -11,-2.3 -2,-0.3 -10,-1.5 -0.834 42.5-174.6 -92.0 129.8 70.4 25.9 28.6 28 75 A A E -BC 15 37A 0 9,-2.8 9,-2.9 -2,-0.5 2,-0.5 -0.941 28.5-122.3-129.9 158.6 72.5 25.3 31.7 29 76 A M E -BC 14 36A 35 -15,-3.0 -15,-2.5 -2,-0.3 2,-0.9 -0.837 21.6-141.5 -94.6 121.8 76.1 24.3 32.6 30 77 A D E > -B 13 0A 0 5,-2.5 4,-2.1 -2,-0.5 -17,-0.2 -0.769 11.4-161.3 -84.8 105.7 76.4 21.1 34.7 31 78 A L T 4 S+ 0 0 61 -19,-3.7 -1,-0.2 -2,-0.9 -18,-0.1 0.678 86.3 46.6 -63.0 -16.6 79.2 22.0 37.1 32 79 A L T 4 S+ 0 0 124 -20,-0.4 -1,-0.2 3,-0.1 -19,-0.1 0.941 124.3 24.1 -88.4 -57.8 79.8 18.3 37.9 33 80 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.583 95.3-135.4 -85.0 -15.4 79.9 16.6 34.4 34 81 A R < + 0 0 155 -4,-2.1 2,-0.1 1,-0.3 -3,-0.1 0.149 64.0 116.1 77.9 -6.6 80.9 19.8 32.5 35 82 A E S S- 0 0 64 -6,-0.1 -5,-2.5 1,-0.1 -1,-0.3 -0.398 71.6-104.9 -82.1 161.7 78.5 19.4 29.6 36 83 A N E -C 29 0A 38 -7,-0.2 50,-0.5 -2,-0.1 2,-0.3 -0.594 42.1-172.0 -86.0 148.5 75.6 21.7 28.8 37 84 A V E -CD 28 85A 0 -9,-2.9 -9,-2.8 -2,-0.2 2,-0.4 -0.868 27.7-107.5-134.3 168.5 72.1 20.5 29.7 38 85 A A E -CD 27 84A 7 46,-3.6 46,-2.8 -2,-0.3 2,-0.4 -0.860 32.8-167.8-101.9 133.6 68.4 21.5 29.2 39 86 A L E -CD 26 83A 0 -13,-2.7 -13,-3.4 -2,-0.4 2,-0.4 -0.986 2.5-170.3-128.1 114.3 66.7 22.8 32.4 40 87 A K E -CD 25 82A 22 42,-2.2 42,-2.4 -2,-0.4 2,-0.3 -0.937 8.7-168.9-110.7 131.7 62.9 23.2 32.5 41 88 A V E -CD 24 81A 1 -17,-2.8 -17,-1.1 -2,-0.4 2,-0.4 -0.872 14.8-166.2-122.9 153.1 61.3 25.0 35.5 42 89 A E E - D 0 80A 3 38,-2.3 38,-3.2 -2,-0.3 7,-0.0 -0.997 34.3-111.7-136.9 129.3 57.7 25.6 36.8 43 90 A S E > - D 0 79A 40 -2,-0.4 3,-0.7 36,-0.2 36,-0.3 -0.377 22.1-132.6 -60.3 136.5 56.9 28.2 39.4 44 91 A A T 3 S+ 0 0 31 34,-1.9 35,-0.2 1,-0.2 -1,-0.1 0.731 106.3 55.1 -64.7 -22.6 55.9 26.5 42.7 45 92 A Q T 3 S+ 0 0 169 33,-0.4 -1,-0.2 4,-0.0 34,-0.1 0.626 78.1 127.7 -82.7 -21.0 52.8 28.8 43.0 46 93 A Q < - 0 0 62 -3,-0.7 3,-0.1 1,-0.1 -4,-0.0 -0.065 56.5-142.0 -40.6 128.4 51.5 27.8 39.5 47 94 A P S S+ 0 0 128 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.985 90.8 41.6 -63.3 -60.0 47.8 26.7 39.6 48 95 A K S S- 0 0 124 1,-0.0 2,-0.9 2,-0.0 -2,-0.1 -0.822 83.0-152.6 -92.8 110.3 47.9 23.8 37.0 49 96 A Q + 0 0 63 -2,-0.7 4,-0.2 1,-0.2 -5,-0.0 -0.772 27.6 161.0 -89.3 100.6 51.2 21.9 37.7 50 97 A V >> + 0 0 32 -2,-0.9 4,-1.8 2,-0.1 3,-1.2 0.813 58.5 70.8 -91.5 -33.4 52.4 20.3 34.5 51 98 A L H 3> S+ 0 0 9 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.808 91.2 62.5 -61.0 -24.6 56.1 19.5 35.0 52 99 A K H 3> S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.862 109.1 43.1 -63.3 -35.5 55.4 16.7 37.5 53 100 A M H <> S+ 0 0 48 -3,-1.2 4,-2.6 -4,-0.2 -1,-0.2 0.891 110.0 55.0 -76.4 -42.6 53.6 14.9 34.6 54 101 A E H X S+ 0 0 15 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.893 108.4 50.1 -54.8 -43.6 56.4 15.8 32.1 55 102 A V H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.888 108.8 51.8 -61.5 -46.7 58.9 14.1 34.6 56 103 A A H X S+ 0 0 41 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.939 112.9 45.0 -57.1 -50.2 56.7 10.9 34.8 57 104 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.946 114.4 47.7 -58.5 -54.0 56.5 10.7 31.0 58 105 A L H < S+ 0 0 5 -4,-2.8 4,-0.5 1,-0.2 3,-0.3 0.899 112.9 50.2 -56.8 -40.1 60.3 11.3 30.6 59 106 A K H >< S+ 0 0 111 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.912 109.5 49.6 -66.2 -41.8 61.0 8.7 33.3 60 107 A K H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.720 108.8 55.0 -68.1 -23.3 58.8 6.0 31.7 61 108 A L T >< S+ 0 0 0 -4,-1.3 3,-1.8 -3,-0.3 -1,-0.2 0.535 74.5 124.1 -89.8 -5.3 60.5 6.6 28.3 62 109 A Q T < S+ 0 0 75 -3,-1.1 3,-0.1 -4,-0.5 7,-0.1 -0.349 74.7 30.2 -60.1 125.8 64.1 6.0 29.6 63 110 A G T 3 S+ 0 0 83 1,-0.5 -1,-0.2 4,-0.1 -2,-0.1 -0.246 96.3 106.4 116.0 -39.2 65.6 3.2 27.4 64 111 A K S X S- 0 0 86 -3,-1.8 3,-0.6 1,-0.1 -1,-0.5 -0.366 74.7-114.3 -71.2 147.6 63.6 4.1 24.2 65 112 A D T 3 S+ 0 0 81 1,-0.2 56,-0.1 -3,-0.1 -1,-0.1 -0.454 95.4 41.2 -77.2 157.0 65.3 5.8 21.3 66 113 A H T 3 S+ 0 0 4 1,-0.2 85,-3.1 -2,-0.1 2,-0.3 0.609 91.4 105.0 78.0 16.5 64.3 9.4 20.4 67 114 A V S < S- 0 0 13 -3,-0.6 -1,-0.2 83,-0.2 -4,-0.1 -0.979 73.9-108.9-125.5 142.9 64.0 10.7 24.1 68 115 A C - 0 0 11 83,-0.5 2,-0.2 -2,-0.3 -7,-0.1 -0.319 41.3-103.7 -62.7 145.5 66.4 13.0 26.1 69 116 A R - 0 0 118 -7,-0.1 16,-2.3 17,-0.1 2,-0.4 -0.561 33.9-121.7 -72.5 134.7 68.3 11.3 28.9 70 117 A F E +E 84 0A 47 -2,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.700 37.7 169.2 -77.8 126.3 66.8 12.1 32.3 71 118 A I E - 0 0 26 12,-2.4 2,-0.3 -2,-0.4 13,-0.2 0.824 54.3 -42.2-104.9 -51.6 69.5 13.8 34.5 72 119 A G E -E 83 0A 11 11,-1.8 11,-4.1 2,-0.0 -1,-0.4 -0.983 41.3-154.9-171.7 171.2 67.6 15.1 37.5 73 120 A C E +E 82 0A 54 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.976 14.2 175.1-153.3 155.7 64.5 16.8 39.0 74 121 A G E -E 81 0A 17 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.994 19.4-141.6-162.1 161.2 63.7 18.7 42.2 75 122 A R E +E 80 0A 176 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.957 26.0 163.9-125.8 144.5 61.0 20.7 44.1 76 123 A N - 0 0 46 3,-1.1 -2,-0.0 -2,-0.4 0, 0.0 -0.894 51.5 -90.9-149.7 178.0 61.5 23.8 46.2 77 124 A E S S+ 0 0 178 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.759 124.1 30.2 -63.7 -31.8 59.6 26.7 47.8 78 125 A K S S- 0 0 121 1,-0.3 -34,-1.9 -34,-0.1 -33,-0.4 0.780 128.2 -1.7-101.0 -31.1 60.0 29.0 44.7 79 126 A F E -D 43 0A 3 -36,-0.3 -3,-1.1 -35,-0.2 2,-0.3 -0.979 50.6-133.6-156.2 163.2 60.1 26.5 41.7 80 127 A N E -DE 42 75A 9 -38,-3.2 -38,-2.3 -2,-0.3 2,-0.3 -0.828 34.8-171.4-110.5 153.0 60.0 22.9 40.6 81 128 A Y E -DE 41 74A 14 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.3 -0.988 21.7-158.9-148.7 160.4 62.6 21.8 38.0 82 129 A V E -DE 40 73A 5 -42,-2.4 -42,-2.2 -2,-0.3 2,-0.5 -0.982 11.4-154.7-136.3 141.6 63.7 19.0 35.6 83 130 A V E +DE 39 72A 0 -11,-4.1 -12,-2.4 -2,-0.3 -11,-1.8 -0.984 25.0 159.3-117.9 131.1 67.2 18.5 34.1 84 131 A M E -DE 38 70A 25 -46,-2.8 -46,-3.6 -2,-0.5 -14,-0.2 -0.956 46.3 -70.4-147.0 167.2 67.6 16.6 30.9 85 132 A Q E -D 37 0A 32 -16,-2.3 2,-0.3 -2,-0.3 -48,-0.2 -0.326 51.9-124.5 -59.1 128.7 70.0 16.0 27.9 86 133 A L - 0 0 15 -50,-0.5 55,-0.3 -58,-0.1 2,-0.2 -0.595 27.4-161.0 -77.7 134.0 70.2 19.1 25.7 87 134 A Q - 0 0 20 -2,-0.3 53,-0.2 1,-0.2 3,-0.1 -0.451 6.1-131.9-106.4-174.7 69.5 18.6 22.0 88 135 A G + 0 0 34 51,-2.6 -1,-0.2 1,-0.3 53,-0.1 0.283 59.0 9.3-108.0-129.7 70.2 20.6 18.9 89 136 A R - 0 0 125 51,-0.4 50,-2.9 49,-0.1 -1,-0.3 -0.318 63.7-134.4 -64.7 127.5 68.4 22.0 15.8 90 137 A N B > -F 138 0B 39 48,-0.3 4,-2.2 -2,-0.1 48,-0.3 -0.523 18.0-119.0 -85.0 152.2 64.6 21.7 15.7 91 138 A L H > S+ 0 0 0 46,-2.2 4,-1.9 43,-1.0 44,-0.2 0.764 110.7 56.1 -60.4 -28.9 62.8 20.5 12.5 92 139 A A H > S+ 0 0 4 42,-0.4 4,-2.1 45,-0.3 -1,-0.2 0.917 110.9 43.0 -69.9 -44.4 60.9 23.8 12.0 93 140 A D H > S+ 0 0 88 -3,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.905 113.5 52.8 -68.7 -40.4 64.1 25.9 11.9 94 141 A L H < S+ 0 0 7 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.880 110.6 47.9 -60.8 -40.5 65.8 23.3 9.6 95 142 A R H >< S+ 0 0 24 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.927 110.6 49.3 -70.1 -41.2 62.9 23.4 7.1 96 143 A R H 3< S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.714 105.8 59.9 -67.9 -21.7 62.7 27.2 7.0 97 144 A S T 3< S+ 0 0 92 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.618 83.2 102.7 -77.3 -19.2 66.5 27.1 6.4 98 145 A Q S X S- 0 0 28 -3,-1.3 3,-0.6 -4,-0.5 5,-0.1 -0.420 83.4-122.1 -67.8 138.9 66.0 25.0 3.2 99 146 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.829 114.4 27.0 -56.0 -32.0 66.3 27.1 -0.0 100 147 A R T 3 S- 0 0 199 2,-0.4 3,-0.1 -5,-0.1 -4,-0.1 0.420 112.7-113.4-105.4 -2.1 62.7 26.2 -1.1 101 148 A G S < S+ 0 0 13 -3,-0.6 2,-0.3 1,-0.3 -5,-0.1 0.752 86.4 105.0 73.7 25.5 61.5 25.7 2.5 102 149 A T - 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0 0 46 1,-0.1 4,-0.4 -47,-0.0 3,-0.3 -0.631 38.4-137.6 -90.1 140.1 48.7 24.2 17.8 180 227 A V S > S+ 0 0 31 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.851 88.1 66.0 -63.3 -48.7 46.3 24.8 15.0 181 228 A R T 3 S+ 0 0 82 1,-0.2 -1,-0.2 36,-0.1 35,-0.1 0.776 113.8 26.6 -50.9 -41.6 48.3 23.9 11.9 182 229 A Y T 3 S+ 0 0 16 -3,-0.3 -1,-0.2 -50,-0.1 22,-0.2 0.311 90.2 124.5-108.4 4.0 48.8 20.1 12.5 183 230 A A < - 0 0 3 -3,-1.0 15,-0.1 -4,-0.4 -52,-0.0 -0.427 61.0-121.7 -66.1 137.4 45.7 19.4 14.7 184 231 A S > - 0 0 0 13,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.297 26.0-106.6 -72.0 168.0 43.4 16.7 13.4 185 232 A V H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.870 122.1 57.1 -62.4 -35.3 39.7 17.4 12.7 186 233 A N H 4>S+ 0 0 42 2,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.892 106.2 48.2 -62.6 -42.0 38.8 15.5 15.9 187 234 A A H >45S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 -11,-0.3 0.911 111.2 50.7 -65.2 -43.7 41.0 17.9 18.0 188 235 A H H 3<5S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.789 104.7 58.3 -63.1 -31.4 39.4 20.9 16.2 189 236 A K T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.445 114.6-119.4 -79.6 3.0 35.9 19.4 17.1 190 237 A N T < 5 + 0 0 67 -3,-1.8 -16,-2.5 1,-0.2 2,-0.3 0.862 66.2 143.7 60.0 36.3 36.9 19.5 20.8 191 238 A R < - 0 0 130 -5,-2.0 -1,-0.2 -18,-0.2 -18,-0.1 -0.757 64.9 -79.4-100.0 153.8 36.5 15.7 21.0 192 239 A E - 0 0 13 -21,-0.7 2,-0.1 -2,-0.3 65,-0.1 -0.330 52.6-128.7 -53.9 120.6 38.8 13.4 23.2 193 240 A M - 0 0 11 -2,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.439 29.2-173.8 -72.9 148.9 42.0 12.9 21.3 194 241 A G >> - 0 0 2 -2,-0.1 3,-1.3 -24,-0.0 4,-0.9 -0.697 44.9 -78.1-130.8-174.1 43.3 9.4 20.7 195 242 A R H >> S+ 0 0 25 62,-0.5 4,-1.3 1,-0.3 3,-0.5 0.867 125.8 60.4 -58.5 -37.8 46.4 7.7 19.3 196 243 A H H 3> S+ 0 0 7 60,-0.3 4,-2.3 63,-0.2 -1,-0.3 0.780 96.2 62.0 -59.5 -28.1 45.2 8.3 15.7 197 244 A D H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.899 101.9 49.8 -72.1 -31.0 45.2 12.2 16.4 198 245 A D H - 0 0 1 -2,-0.3 3,-1.5 -3,-0.1 4,-0.2 -0.850 34.8-116.0-112.7 148.6 49.7 23.3 4.0 215 262 A P T 3 S+ 0 0 53 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 0.797 114.8 46.8 -58.5 -31.2 46.5 24.8 2.3 216 263 A W T > S+ 0 0 2 1,-0.2 3,-1.2 -35,-0.1 9,-0.1 0.224 77.6 116.7 -92.8 9.8 45.4 26.4 5.6 217 264 A R T < S+ 0 0 105 -3,-1.5 -1,-0.2 1,-0.2 -36,-0.1 0.763 73.8 48.2 -50.6 -38.0 48.9 27.9 6.5 218 265 A K T 3 S+ 0 0 156 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.2 0.731 89.5 99.6 -80.6 -18.2 47.8 31.6 6.3 219 266 A I < + 0 0 59 -3,-1.2 -3,-0.0 1,-0.1 -38,-0.0 -0.541 42.1 177.6 -77.7 123.6 44.7 31.2 8.5 220 267 A K + 0 0 193 -2,-0.4 2,-0.3 -40,-0.0 -1,-0.1 0.786 53.2 95.4 -92.2 -34.3 45.1 32.3 12.2 221 268 A D > - 0 0 89 1,-0.1 4,-2.0 2,-0.0 5,-0.1 -0.481 66.7-146.9 -66.1 122.3 41.4 31.6 13.4 222 269 A K H > S+ 0 0 99 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.901 96.3 49.3 -55.6 -51.4 41.2 28.2 15.0 223 270 A E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.841 109.0 52.4 -60.1 -40.4 37.6 27.5 13.9 224 271 A Q H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 108.2 50.5 -63.9 -47.3 38.3 28.6 10.2 225 272 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 110.4 50.2 -54.4 -45.8 41.2 26.1 10.0 226 273 A G H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.902 110.3 49.4 -60.8 -42.6 39.1 23.3 11.3 227 274 A M H X S+ 0 0 78 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.901 111.6 48.5 -64.8 -41.3 36.3 24.0 8.8 228 275 A I H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 112.5 49.9 -62.2 -49.3 38.8 24.1 5.9 229 276 A K H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 108.8 50.8 -55.8 -46.9 40.3 20.7 7.1 230 277 A E H < S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 119.1 36.4 -60.4 -44.1 36.9 18.9 7.4 231 278 A K H < S+ 0 0 172 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.764 94.3 107.1 -82.6 -28.7 35.8 19.9 3.8 232 279 A Y S < S- 0 0 58 -4,-2.5 2,-1.1 -5,-0.2 3,-0.1 -0.262 76.2-124.2 -57.8 130.0 39.3 19.6 2.3 233 280 A E > - 0 0 121 1,-0.2 3,-1.7 2,-0.0 4,-0.4 -0.705 21.4-161.7 -79.1 99.6 39.8 16.6 -0.0 234 281 A H G >> S+ 0 0 20 -2,-1.1 3,-0.7 1,-0.3 4,-0.6 0.680 85.9 68.7 -58.2 -22.1 42.8 15.0 1.7 235 282 A R G >4 S+ 0 0 104 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.864 92.2 60.4 -64.3 -34.7 43.5 13.0 -1.5 236 283 A M G X4 S+ 0 0 125 -3,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.717 96.8 60.0 -64.2 -25.0 44.4 16.4 -3.2 237 284 A L G <4 S+ 0 0 13 -3,-0.7 3,-0.4 -4,-0.4 -1,-0.3 0.759 100.3 57.3 -71.2 -27.0 47.2 16.8 -0.5 238 285 A L G << S+ 0 0 5 -3,-1.1 3,-0.4 -4,-0.6 -1,-0.2 0.305 73.3 106.4 -88.3 5.8 48.7 13.5 -1.8 239 286 A K S < S+ 0 0 156 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.850 96.8 21.5 -52.5 -47.7 49.1 14.8 -5.5 240 287 A H S S+ 0 0 142 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.316 110.2 95.5-106.0 4.5 52.9 15.2 -5.2 241 288 A M S S- 0 0 12 -3,-0.4 -34,-0.0 1,-0.1 -3,-0.0 -0.543 90.7 -80.6 -88.3 160.0 53.3 12.7 -2.3 242 289 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.228 41.1-115.2 -63.6 151.8 54.2 9.0 -2.8 243 290 A S T > S+ 0 0 77 1,-0.2 3,-1.5 2,-0.1 4,-0.2 0.781 108.5 64.7 -56.7 -37.3 51.3 6.6 -3.8 244 291 A E T >> S+ 0 0 21 1,-0.3 3,-2.6 25,-0.2 4,-1.0 0.713 79.4 82.7 -64.8 -18.9 51.4 4.5 -0.6 245 292 A F H <> S+ 0 0 0 -3,-1.2 4,-3.2 1,-0.3 -1,-0.3 0.617 77.8 70.7 -60.1 -14.6 50.4 7.5 1.5 246 293 A H H <> S+ 0 0 57 -3,-1.5 4,-2.5 2,-0.2 -1,-0.3 0.785 98.1 48.9 -71.5 -28.3 46.8 6.7 0.5 247 294 A L H <> S+ 0 0 101 -3,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.907 111.3 48.8 -74.6 -44.1 47.1 3.6 2.7 248 295 A F H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.975 116.6 42.8 -56.6 -56.7 48.5 5.9 5.6 249 296 A L H X S+ 0 0 9 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.894 115.3 48.8 -57.1 -47.6 45.5 8.3 5.0 250 297 A D H X S+ 0 0 83 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.874 112.2 49.5 -61.3 -41.0 42.9 5.5 4.7 251 298 A H H >X S+ 0 0 31 -4,-2.6 4,-0.7 2,-0.2 3,-0.6 0.951 113.7 43.0 -65.0 -51.3 44.1 3.7 7.8 252 299 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.864 111.2 55.8 -65.8 -33.7 44.1 6.8 10.1 253 300 A A H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 106.2 52.6 -66.2 -26.9 40.7 8.0 8.7 254 301 A S H << S+ 0 0 88 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.616 93.6 95.7 -82.6 -19.6 39.2 4.6 9.7 255 302 A L << - 0 0 17 -3,-0.7 2,-0.2 -4,-0.7 5,-0.1 -0.369 52.9-166.1 -76.1 155.4 40.5 4.8 13.3 256 303 A D - 0 0 79 -2,-0.1 -60,-0.3 3,-0.0 3,-0.2 -0.730 43.7 -84.8-128.1 175.2 38.5 6.0 16.4 257 304 A Y S S+ 0 0 24 -2,-0.2 -62,-0.5 1,-0.2 -61,-0.1 0.828 125.7 43.8 -48.6 -44.7 39.6 7.0 20.0 258 305 A F S S+ 0 0 113 -64,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.813 91.2 96.5 -74.8 -36.9 39.5 3.3 21.2 259 306 A T S S- 0 0 69 -3,-0.2 -63,-0.2 1,-0.1 -64,-0.1 -0.410 72.5-129.3 -67.6 124.5 41.2 1.5 18.3 260 307 A K - 0 0 128 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.522 33.5-120.0 -67.4 127.3 45.0 0.7 18.5 261 308 A P - 0 0 0 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.294 15.0-115.3 -67.6 160.6 46.7 2.0 15.3 262 309 A D > + 0 0 72 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.721 37.5 174.9 -94.3 84.2 48.5 -0.2 12.9 263 310 A Y H > S+ 0 0 12 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.845 77.8 56.5 -60.1 -35.2 52.0 1.3 13.4 264 311 A Q H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 103.2 53.8 -68.6 -33.5 53.6 -1.4 11.1 265 312 A L H > S+ 0 0 52 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.949 113.4 43.1 -61.1 -49.4 51.2 -0.5 8.2 266 313 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.895 113.7 50.7 -62.8 -43.2 52.4 3.2 8.5 267 314 A M H X S+ 0 0 18 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.889 108.2 52.7 -63.3 -39.2 56.0 2.1 8.9 268 315 A S H X S+ 0 0 35 -4,-2.5 4,-3.6 1,-0.2 5,-0.4 0.905 102.7 60.0 -61.3 -40.3 55.7 -0.1 5.7 269 316 A V H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.898 112.4 37.9 -54.7 -43.6 54.3 3.0 3.8 270 317 A F H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.910 118.1 48.9 -75.1 -43.9 57.7 4.8 4.6 271 318 A E H X S+ 0 0 74 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 115.1 43.3 -62.4 -44.4 59.9 1.7 4.1 272 319 A N H X S+ 0 0 71 -4,-3.6 4,-2.5 1,-0.2 -1,-0.2 0.867 111.8 54.5 -70.6 -36.1 58.3 0.7 0.7 273 320 A S H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.806 113.6 43.4 -64.6 -32.8 58.3 4.4 -0.5 274 321 A M H ><>S+ 0 0 10 -4,-1.5 5,-2.4 2,-0.2 3,-1.9 0.954 114.2 47.8 -74.0 -55.8 62.1 4.5 0.3 275 322 A K H ><5S+ 0 0 146 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.850 109.0 54.8 -53.5 -43.8 62.9 1.0 -1.3 276 323 A E T 3<5S+ 0 0 98 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.432 114.9 40.9 -75.1 2.4 60.9 1.9 -4.5 277 324 A R T < 5S- 0 0 102 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.300 114.5-110.1-126.5 -0.4 63.0 5.1 -4.9 278 325 A G T < 5 + 0 0 66 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.756 60.9 159.5 71.5 29.7 66.5 3.7 -4.0 279 326 A I < - 0 0 26 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.712 22.0-160.5 -87.4 129.5 66.6 5.7 -0.6 280 327 A A > - 0 0 39 -2,-0.4 3,-1.5 1,-0.1 -170,-0.1 -0.866 25.1-128.5-113.9 147.5 69.1 4.3 2.0 281 328 A E T 3 S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.812 108.0 60.2 -59.1 -37.3 69.2 4.8 5.8 282 329 A N T 3 S+ 0 0 141 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.417 82.3 122.7 -73.1 -0.8 73.0 5.8 5.6 283 330 A E < - 0 0 70 -3,-1.5 2,-0.2 1,-0.1 -4,-0.0 -0.211 69.4-103.5 -63.8 151.9 72.1 8.8 3.3 284 331 A A - 0 0 63 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.513 32.2-120.8 -76.8 143.6 73.0 12.4 4.2 285 332 A F > - 0 0 7 -2,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.503 29.4-106.7 -80.5 154.8 70.2 14.7 5.5 286 333 A D T 3 S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.774 119.6 53.6 -52.5 -36.1 69.6 18.0 3.5 287 334 A W T 3 0 0 38 1,-0.1 -1,-0.3 -189,-0.0 -3,-0.0 0.605 360.0 360.0 -76.4 -12.6 71.2 20.3 6.2 288 335 A E < 0 0 97 -3,-1.8 -2,-0.2 0, 0.0 -1,-0.1 0.899 360.0 360.0 -90.4 360.0 74.4 18.1 6.0