==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-09 2WMR . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.MATTHEWS,S.KLAIR,S.BURNS,K.BOXALL,M.CHERRY,M.FISHER, . 254 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.3 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 . 44 17.3 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 0 0 2 0 0 0 0 0 0 1 0 0 1 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 . 3 2 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 7 A E 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.4 1.2 -5.1 -9.1 2 8 A D + 0 0 86 20,-0.0 21,-2.0 2,-0.0 2,-0.4 0.451 360.0 89.4 -90.6 -1.9 3.6 -2.3 -10.0 3 9 A W E -A 22 0A 58 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.826 61.5-153.4-105.4 133.7 6.0 -3.2 -7.2 4 10 A D E -A 21 0A 105 17,-2.2 17,-1.7 -2,-0.4 2,-1.4 -0.902 20.6-129.2-104.9 126.4 8.9 -5.6 -7.5 5 11 A L E -A 20 0A 92 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.591 31.3-179.4 -74.4 94.0 10.1 -7.2 -4.2 6 12 A V E - 0 0 83 13,-2.1 2,-0.3 -2,-1.4 -1,-0.2 0.931 54.5 -23.4 -64.8 -50.5 13.8 -6.5 -4.6 7 13 A Q E -A 19 0A 103 12,-0.9 12,-3.3 -3,-0.1 2,-0.3 -0.993 66.2 -90.5-162.8 155.3 15.1 -8.1 -1.4 8 14 A T E +A 18 0A 77 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.544 35.4 174.3 -70.6 127.6 14.3 -9.3 2.1 9 15 A L E + 0 0 75 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.767 67.0 9.1 -99.1 -42.6 14.9 -6.5 4.6 10 16 A G E -A 17 0A 29 7,-2.5 7,-3.8 2,-0.0 -1,-0.4 -0.961 65.5-169.8-142.9 154.8 13.6 -8.2 7.7 11 17 A E + 0 0 84 5,-0.3 5,-0.1 -2,-0.3 3,-0.1 -0.856 35.3 58.5-140.3 172.0 12.4 -11.6 8.7 12 18 A G S > S+ 0 0 49 -2,-0.3 3,-0.8 1,-0.2 2,-0.1 -0.182 70.4 52.9 91.7 173.7 10.7 -13.6 11.5 13 19 A A T 3 S- 0 0 114 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.363 122.0 -14.4 60.6-137.0 7.4 -13.4 13.2 14 20 A Y T 3 S- 0 0 49 1,-0.2 21,-0.7 -3,-0.1 2,-0.3 0.880 130.4 -21.4 -63.8 -41.4 4.4 -13.4 10.9 15 21 A G < - 0 0 18 -3,-0.8 -1,-0.2 19,-0.2 2,-0.1 -0.990 69.5 -88.8-164.4 162.0 6.4 -12.7 7.8 16 22 A E - 0 0 74 -2,-0.3 17,-1.4 -5,-0.1 2,-0.5 -0.450 37.5-127.8 -74.8 150.6 9.6 -11.3 6.3 17 23 A V E -AB 10 32A 32 -7,-3.8 -8,-3.6 15,-0.2 -7,-2.5 -0.871 31.1-168.3 -99.9 132.4 9.7 -7.6 5.5 18 24 A Q E -AB 8 31A 29 13,-2.9 13,-3.0 -2,-0.5 2,-0.6 -0.874 24.1-116.7-124.8 154.8 10.9 -6.9 1.9 19 25 A L E -AB 7 30A 13 -12,-3.3 -13,-2.1 -2,-0.3 -12,-0.9 -0.797 32.4-167.3 -91.3 121.9 12.0 -3.9 -0.0 20 26 A A E -AB 5 29A 0 9,-2.9 9,-2.7 -2,-0.6 2,-0.4 -0.867 4.3-164.5-109.4 141.8 9.7 -3.1 -2.9 21 27 A V E -AB 4 28A 29 -17,-1.7 -17,-2.2 -2,-0.4 2,-0.7 -0.994 22.9-124.6-127.7 132.6 10.5 -0.7 -5.7 22 28 A N E > -A 3 0A 13 5,-2.4 4,-1.6 -2,-0.4 -19,-0.2 -0.645 14.9-147.2 -77.1 113.6 7.9 0.8 -8.1 23 29 A R T 4 S+ 0 0 72 -21,-2.0 -1,-0.2 -2,-0.7 -20,-0.1 0.559 93.5 39.8 -61.7 -5.5 9.1 -0.0 -11.6 24 30 A V T 4 S+ 0 0 118 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.0 0.832 131.5 17.1-104.2 -71.6 7.6 3.3 -12.8 25 31 A T T 4 S- 0 0 87 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.800 92.5-142.7 -71.2 -31.2 8.2 6.1 -10.4 26 32 A E < + 0 0 132 -4,-1.6 -3,-0.1 1,-0.3 -1,-0.1 0.465 41.7 157.3 80.6 4.0 10.9 3.9 -8.8 27 33 A E - 0 0 130 -6,-0.1 -5,-2.4 1,-0.1 2,-0.4 -0.337 35.9-134.8 -55.0 137.3 9.9 5.1 -5.3 28 34 A A E +B 21 0A 42 -7,-0.2 44,-0.4 -3,-0.1 2,-0.3 -0.797 30.6 165.6 -99.7 142.3 11.1 2.5 -2.8 29 35 A V E -B 20 0A 7 -9,-2.7 -9,-2.9 -2,-0.4 2,-0.4 -0.934 34.3-108.6-143.0 170.6 9.0 1.3 0.1 30 36 A A E -BC 19 70A 8 40,-3.1 40,-3.0 -2,-0.3 2,-0.5 -0.828 25.3-157.7-103.3 141.2 8.9 -1.5 2.7 31 37 A V E -BC 18 69A 9 -13,-3.0 -13,-2.9 -2,-0.4 2,-0.5 -0.979 0.4-158.9-123.2 124.8 6.4 -4.3 2.5 32 38 A K E -BC 17 68A 28 36,-2.3 36,-2.0 -2,-0.5 2,-0.6 -0.896 9.1-156.7-105.1 124.6 5.5 -6.4 5.5 33 39 A I E + C 0 67A 33 -17,-1.4 2,-0.4 -2,-0.5 34,-0.2 -0.896 14.1 176.6-108.5 121.8 4.0 -9.8 4.7 34 40 A V E - C 0 66A 12 32,-1.9 32,-2.3 -2,-0.6 2,-0.5 -0.983 11.4-163.9-125.2 129.1 1.8 -11.5 7.3 35 41 A D 0 0 107 -21,-0.7 -2,-0.0 -2,-0.4 0, 0.0 -0.952 360.0 360.0-115.3 124.8 -0.1 -14.8 6.8 36 42 A M 0 0 163 -2,-0.5 -1,-0.2 3,-0.0 0, 0.0 0.819 360.0 360.0 -88.4 360.0 -2.8 -15.7 9.3 37 ! 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 38 51 A N > 0 0 164 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.8 -3.2 -8.7 16.2 39 52 A I H > + 0 0 21 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.829 360.0 56.7 -71.0 -32.3 -2.6 -7.8 12.6 40 53 A K H > S+ 0 0 167 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 108.7 45.5 -65.0 -41.7 -6.0 -6.0 12.6 41 54 A K H > S+ 0 0 81 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.868 108.1 57.3 -70.5 -36.9 -4.9 -3.8 15.5 42 55 A E H X S+ 0 0 14 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.909 110.7 43.5 -59.9 -43.7 -1.5 -3.1 13.9 43 56 A I H X S+ 0 0 22 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.927 114.2 50.4 -65.8 -45.5 -3.2 -1.7 10.8 44 57 A C H X S+ 0 0 79 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.963 113.1 45.2 -57.5 -55.0 -5.7 0.2 12.9 45 58 A I H >X S+ 0 0 3 -4,-3.2 3,-1.2 1,-0.2 4,-0.8 0.915 109.4 55.8 -55.2 -47.9 -3.1 1.8 15.0 46 59 A N H >< S+ 0 0 5 -4,-2.3 3,-0.9 -5,-0.3 11,-0.3 0.863 100.0 60.6 -54.8 -39.0 -0.9 2.6 12.0 47 60 A K H 3< S+ 0 0 76 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.797 102.9 51.9 -58.6 -32.0 -3.8 4.5 10.5 48 61 A M H << S+ 0 0 86 -3,-1.2 2,-0.3 -4,-0.9 -1,-0.2 0.727 92.8 96.9 -76.2 -22.2 -3.8 6.9 13.4 49 62 A L << + 0 0 18 -3,-0.9 8,-0.4 -4,-0.8 2,-0.2 -0.532 34.4 157.3 -87.2 131.2 -0.1 7.7 13.3 50 63 A N + 0 0 120 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.692 26.1 118.9-148.2 99.7 1.5 10.7 11.7 51 64 A H > - 0 0 27 3,-0.3 3,-1.8 -2,-0.2 52,-0.0 -0.986 61.8-124.5-158.6 144.3 5.0 11.8 12.8 52 65 A E T 3 S+ 0 0 116 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.523 113.5 53.2 -71.7 -5.5 8.5 12.2 11.4 53 66 A N T 3 S+ 0 0 12 49,-0.1 79,-2.7 78,-0.1 2,-0.4 0.117 99.2 74.6-113.1 18.2 9.9 10.0 14.1 54 67 A V B < S-e 132 0B 2 -3,-1.8 -3,-0.3 77,-0.3 2,-0.2 -0.994 95.6-101.6-126.8 137.3 7.4 7.2 13.4 55 68 A V - 0 0 8 77,-2.5 -6,-0.1 -2,-0.4 -2,-0.1 -0.402 48.8-113.0 -55.9 120.0 7.7 4.8 10.4 56 69 A K - 0 0 72 -2,-0.2 15,-2.7 14,-0.1 2,-0.6 -0.287 19.1-142.9 -64.2 136.3 5.1 6.1 7.8 57 70 A F E +D 70 0A 42 -8,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.910 18.8 179.2-100.0 109.8 2.1 4.0 7.0 58 71 A Y E - 0 0 125 11,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.837 52.0 -85.8 -72.6 -41.8 1.3 4.3 3.4 59 72 A G E -D 69 0A 24 10,-1.0 10,-2.7 2,-0.0 -1,-0.4 -0.916 40.4-107.7 152.1-177.2 -1.7 1.9 3.3 60 73 A H E -D 68 0A 95 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.980 16.4-171.2-146.5 157.3 -2.5 -1.8 3.0 61 74 A R E -D 67 0A 56 6,-2.1 6,-2.9 -2,-0.3 2,-0.5 -0.990 15.9-142.0-144.2 149.1 -3.9 -4.5 0.7 62 75 A R E D 66 0A 64 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.949 360.0 360.0-116.9 120.5 -4.8 -8.1 1.2 63 76 A E 0 0 119 2,-1.0 -2,-0.0 -2,-0.5 0, 0.0 -0.386 360.0 360.0 -64.9 360.0 -4.2 -10.7 -1.6 64 ! 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 65 79 A I 0 0 103 0, 0.0 -2,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.0 -2.3 -12.8 3.8 66 80 A Q E -CD 34 62A 29 -32,-2.3 -32,-1.9 -4,-0.2 2,-0.5 -0.878 360.0-153.9-110.7 132.9 -2.1 -9.0 4.4 67 81 A Y E -CD 33 61A 23 -6,-2.9 -6,-2.1 -2,-0.4 2,-0.5 -0.916 7.7-164.6-109.8 126.8 0.5 -6.7 2.9 68 82 A L E -CD 32 60A 0 -36,-2.0 -36,-2.3 -2,-0.5 2,-0.7 -0.920 11.0-145.3-112.5 131.6 1.4 -3.4 4.7 69 83 A F E +CD 31 59A 48 -10,-2.7 -11,-2.6 -2,-0.5 -10,-1.0 -0.853 27.0 177.4 -99.5 116.6 3.2 -0.6 3.0 70 84 A L E -CD 30 57A 17 -40,-3.0 -40,-3.1 -2,-0.7 -13,-0.2 -0.833 37.8 -86.5-120.2 153.7 5.7 1.2 5.3 71 85 A E - 0 0 22 -15,-2.7 2,-0.6 -2,-0.3 -42,-0.1 -0.223 47.1-122.3 -50.6 139.7 8.2 4.0 4.9 72 86 A Y - 0 0 60 -44,-0.4 2,-0.8 -42,-0.0 -1,-0.1 -0.824 20.5-162.4 -95.5 122.1 11.6 2.7 3.8 73 87 A C > - 0 0 14 -2,-0.6 3,-1.4 1,-0.1 51,-0.2 -0.864 6.8-174.6-104.8 102.5 14.5 3.4 6.1 74 88 A S T 3 S+ 0 0 61 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.637 77.5 72.7 -72.8 -13.1 17.7 2.9 4.1 75 89 A G T 3 S- 0 0 16 49,-2.0 -1,-0.3 1,-0.2 50,-0.2 0.475 92.9-146.7 -80.4 -3.6 19.7 3.6 7.2 76 90 A G < - 0 0 34 -3,-1.4 48,-2.7 48,-0.5 2,-0.3 -0.196 42.0 -27.2 66.8-161.9 18.8 0.2 8.7 77 91 A E B > -F 123 0B 61 46,-0.2 3,-2.3 1,-0.1 46,-0.2 -0.652 47.7-125.6 -96.7 145.5 18.3 -0.3 12.4 78 92 A L G > S+ 0 0 1 44,-3.0 3,-3.3 41,-0.5 4,-0.4 0.834 105.9 75.5 -49.2 -39.8 19.9 1.6 15.3 79 93 A F G > S+ 0 0 98 40,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.834 91.7 54.6 -38.3 -41.4 21.1 -1.8 16.6 80 94 A D G < S+ 0 0 114 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.324 98.8 61.1 -85.7 7.1 23.7 -1.7 13.8 81 95 A R G < S+ 0 0 84 -3,-3.3 2,-0.7 -4,-0.1 -1,-0.3 0.273 86.6 89.3-107.9 1.8 25.1 1.6 14.9 82 96 A I S < S- 0 0 23 -3,-1.2 6,-0.2 -4,-0.4 105,-0.1 -0.896 70.3-148.5-105.4 108.2 26.0 0.3 18.3 83 97 A E B >> -H 87 0C 119 4,-2.3 4,-3.1 -2,-0.7 3,-1.8 -0.608 35.4-104.3 -70.3 128.5 29.5 -1.2 18.4 84 98 A P T 34 S+ 0 0 106 0, 0.0 107,-0.2 0, 0.0 106,-0.2 -0.315 99.2 2.4 -62.6 130.8 29.4 -4.0 21.0 85 99 A D T 34 S+ 0 0 96 105,-2.3 105,-0.2 1,-0.1 106,-0.1 0.357 133.6 57.6 79.2 -3.2 31.0 -3.2 24.3 86 100 A I T <4 S- 0 0 99 -3,-1.8 2,-0.6 104,-0.2 104,-0.3 0.691 78.7-165.5-118.6 -51.0 31.7 0.3 23.1 87 101 A G B < -H 83 0C 2 -4,-3.1 -4,-2.3 102,-0.3 101,-0.2 -0.858 37.5 -62.9 100.5-124.2 28.4 1.9 22.1 88 102 A M - 0 0 24 99,-1.2 2,-0.1 -2,-0.6 -6,-0.1 -0.957 62.1 -64.1-155.9 166.7 28.6 5.0 20.0 89 103 A P >> - 0 0 78 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.434 50.1-124.5 -58.4 132.3 29.9 8.6 20.2 90 104 A E H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.825 107.6 59.2 -49.5 -40.7 27.9 10.3 22.9 91 105 A P H 3> S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.869 106.6 47.0 -60.9 -36.6 26.7 13.1 20.6 92 106 A D H <> S+ 0 0 74 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.896 111.3 52.7 -69.0 -37.6 25.1 10.6 18.2 93 107 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.887 109.1 48.7 -63.2 -41.2 23.4 8.9 21.2 94 108 A Q H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.956 111.7 48.5 -66.4 -50.0 22.0 12.2 22.5 95 109 A R H X S+ 0 0 82 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.934 113.1 47.8 -52.2 -50.6 20.6 13.1 19.1 96 110 A F H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 111.5 51.5 -59.9 -39.6 19.1 9.7 18.6 97 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.865 106.6 53.4 -64.1 -39.7 17.6 9.9 22.2 98 112 A H H X S+ 0 0 54 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 111.8 45.3 -62.7 -43.1 16.1 13.3 21.4 99 113 A Q H X S+ 0 0 27 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.869 110.9 53.3 -65.9 -39.5 14.3 11.8 18.3 100 114 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.2 49.7 -62.6 -44.1 13.3 8.8 20.3 101 115 A M H X S+ 0 0 0 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.912 109.9 49.7 -59.8 -46.5 11.7 11.1 22.9 102 116 A A H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 111.6 49.7 -57.5 -47.2 9.8 13.1 20.2 103 117 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 115.8 42.9 -55.4 -47.0 8.5 9.9 18.7 104 118 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.918 109.1 55.0 -72.1 -45.3 7.4 8.7 22.1 105 119 A V H X S+ 0 0 62 -4,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.932 111.1 49.2 -49.0 -46.2 5.9 12.0 23.3 106 120 A Y H X S+ 0 0 50 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.952 110.6 47.0 -59.5 -56.1 3.8 11.9 20.2 107 121 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.7 0.914 115.9 45.5 -52.2 -50.1 2.6 8.3 20.6 108 122 A H H ><5S+ 0 0 8 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.793 104.9 63.9 -65.9 -29.4 1.7 8.9 24.3 109 123 A G H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.811 108.2 40.8 -64.4 -30.1 0.1 12.2 23.2 110 124 A I T <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 -0.103 123.5-102.7-110.2 34.6 -2.4 10.1 21.2 111 125 A G T < 5S+ 0 0 1 -3,-1.5 30,-2.9 1,-0.2 31,-1.3 0.681 77.7 134.1 60.5 24.8 -2.9 7.5 23.9 112 126 A I E < -I 140 0D 0 -5,-2.9 2,-0.5 28,-0.2 28,-0.2 -0.914 36.6-165.2-111.8 127.1 -0.7 4.8 22.1 113 127 A T E -I 139 0D 0 26,-2.5 26,-1.9 -2,-0.5 60,-0.1 -0.934 10.4-156.5-108.6 133.1 2.0 2.8 23.8 114 128 A H - 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0 0 61 -2,-0.3 -33,-0.1 1,-0.1 3,-0.1 -0.744 22.5-137.0 -89.8 139.6 22.6 -4.5 28.1 193 207 A P S S- 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.818 74.9 -4.5 -67.8 -31.9 22.7 -4.2 31.9 194 208 A W - 0 0 7 -36,-0.2 7,-0.0 1,-0.1 8,-0.0 -0.968 59.2-114.7-159.4 162.0 20.7 -7.4 32.6 195 209 A D S S- 0 0 113 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.879 100.2 -19.6 -66.9 -43.5 18.7 -10.3 31.3 196 210 A Q S S- 0 0 62 2,-0.1 2,-1.6 -38,-0.1 -1,-0.3 -0.958 72.5-101.2-160.1 156.6 15.5 -9.1 32.9 197 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.499 73.1 122.7 -87.2 71.9 14.7 -6.7 35.7 198 212 A S S > S- 0 0 16 -2,-1.6 3,-1.4 1,-0.1 7,-0.3 -0.872 70.4-118.5-125.9 161.9 14.0 -9.1 38.6 199 213 A D T 3 S+ 0 0 90 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.848 111.5 66.9 -69.4 -32.3 15.5 -9.6 42.0 200 214 A S T 3 S+ 0 0 114 4,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.657 87.2 90.7 -55.0 -14.6 16.7 -13.1 41.2 201 215 A C <> - 0 0 11 -3,-1.4 4,-2.2 1,-0.2 3,-0.2 -0.778 67.5-155.2 -98.3 118.0 19.0 -11.3 38.7 202 216 A Q H > S+ 0 0 113 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.898 90.9 51.2 -57.5 -49.5 22.4 -10.4 40.1 203 217 A E H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 111.3 46.9 -59.1 -42.2 23.1 -7.5 37.7 204 218 A Y H > S+ 0 0 0 -8,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.906 110.6 53.1 -66.1 -40.5 19.8 -5.7 38.4 205 219 A S H X S+ 0 0 20 -4,-2.2 4,-1.2 -7,-0.3 -2,-0.2 0.860 107.5 52.9 -62.5 -35.3 20.3 -6.2 42.1 206 220 A D H <>S+ 0 0 22 -4,-2.0 5,-2.4 2,-0.2 4,-0.5 0.880 107.6 50.5 -66.2 -40.3 23.7 -4.5 41.8 207 221 A W H ><5S+ 0 0 11 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.929 108.2 51.9 -63.0 -47.1 22.2 -1.5 40.0 208 222 A K H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 108.6 52.1 -60.3 -30.1 19.6 -1.1 42.7 209 223 A E T 3<5S- 0 0 115 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.563 118.3-116.5 -83.8 -9.6 22.4 -1.2 45.2 210 224 A K T < 5 + 0 0 154 -3,-1.5 2,-2.5 -4,-0.5 -3,-0.2 0.693 55.8 158.9 83.6 23.6 24.2 1.6 43.2 211 225 A K > < + 0 0 57 -5,-2.4 3,-1.4 1,-0.2 6,-0.2 -0.427 6.6 156.7 -74.2 69.5 27.3 -0.4 42.2 212 226 A T T 3 + 0 0 47 -2,-2.5 -1,-0.2 1,-0.3 -5,-0.1 0.500 57.3 79.5 -79.0 -3.6 28.0 1.9 39.3 213 227 A Y T 3 S+ 0 0 149 -3,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.472 85.2 79.8 -80.3 -3.6 31.7 0.9 39.3 214 228 A L S <> S- 0 0 57 -3,-1.4 4,-2.0 1,-0.1 3,-0.3 -0.516 90.9 -49.3 -95.0 169.9 30.6 -2.3 37.5 215 229 A N T 4 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.568 114.8 14.3 -76.7 147.4 29.8 -2.7 33.8 216 230 A P T >4 S+ 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.992 122.8 57.0 -91.1 0.7 28.1 -1.2 31.9 217 231 A W G >4 S+ 0 0 8 -3,-0.3 3,-1.8 1,-0.3 -2,-0.2 0.812 98.0 62.3 -65.9 -30.9 27.8 1.9 34.2 218 232 A K G 3< S+ 0 0 131 -4,-2.0 -1,-0.3 1,-0.3 -3,-0.1 0.739 99.2 57.5 -67.4 -20.4 31.5 2.5 34.5 219 233 A K G < S+ 0 0 69 -3,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.460 93.7 87.2 -84.2 -2.9 31.7 3.1 30.8 220 234 A I S < S- 0 0 12 -3,-1.8 -31,-0.1 -4,-0.2 -35,-0.0 -0.865 82.0-117.9-109.9 126.2 29.1 5.9 31.0 221 235 A D > - 0 0 78 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.169 32.5-110.1 -55.5 155.5 29.9 9.5 31.7 222 236 A S H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.710 110.6 56.7 -67.6 -26.3 28.4 10.9 34.9 223 237 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.1 27,-0.4 0.954 113.0 37.6 -72.6 -52.3 25.8 13.2 33.3 224 238 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.913 115.2 56.9 -63.8 -39.5 24.0 10.6 31.2 225 239 A L H X S+ 0 0 19 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.840 102.0 55.0 -60.0 -36.0 24.4 8.2 34.1 226 240 A A H X S+ 0 0 41 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.896 108.7 48.5 -63.6 -40.7 22.6 10.6 36.4 227 241 A L H >X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 3,-0.7 0.908 109.3 52.4 -61.3 -44.0 19.7 10.6 33.9 228 242 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.830 102.8 59.4 -64.0 -30.2 19.8 6.8 33.8 229 243 A H H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.832 109.5 43.8 -64.0 -30.3 19.6 6.9 37.6 230 244 A K H << S+ 0 0 83 -4,-0.9 10,-2.2 -3,-0.7 3,-0.4 0.756 117.9 42.8 -86.1 -27.3 16.3 8.8 37.2 231 245 A I H < S+ 0 0 0 -4,-1.7 2,-1.8 1,-0.2 -2,-0.2 0.917 107.0 57.0 -84.2 -49.7 14.9 6.5 34.4 232 246 A L S < S+ 0 0 4 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.227 74.4 139.2 -84.5 50.9 15.8 3.1 35.7 233 247 A V - 0 0 39 -2,-1.8 6,-0.2 -3,-0.4 5,-0.1 -0.849 50.9-142.1 -93.1 127.5 14.0 3.7 39.0 234 248 A E S S+ 0 0 63 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.862 84.7 74.3 -65.3 -40.3 12.1 0.5 40.1 235 249 A N S >> S- 0 0 80 1,-0.2 4,-1.8 -73,-0.1 3,-1.4 -0.670 73.3-153.0 -75.8 110.6 9.0 2.3 41.5 236 250 A P T 34 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.679 95.2 56.0 -62.6 -18.8 7.1 3.4 38.3 237 251 A S T 34 S+ 0 0 103 1,-0.1 -2,-0.1 -63,-0.0 -3,-0.1 0.730 110.7 43.2 -81.1 -26.8 5.6 6.3 40.3 238 252 A A T <4 S+ 0 0 66 -3,-1.4 -1,-0.1 -5,-0.1 3,-0.1 0.725 91.7 110.0 -87.7 -24.4 9.0 7.5 41.3 239 253 A R S < S- 0 0 8 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.155 80.3-101.4 -55.9 140.1 10.4 7.1 37.8 240 254 A I - 0 0 20 -10,-2.2 2,-0.3 -13,-0.1 -1,-0.1 -0.300 35.4-134.5 -61.6 145.7 11.1 10.3 35.9 241 255 A T >> - 0 0 73 -3,-0.1 4,-2.0 1,-0.1 3,-0.7 -0.692 22.6-106.7 -99.9 161.5 8.5 11.3 33.3 242 256 A I H 3> S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.832 117.6 55.8 -55.9 -41.4 9.3 12.5 29.8 243 257 A P H 34 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.889 112.7 44.9 -61.8 -33.5 8.5 16.1 30.4 244 258 A D H X4 S+ 0 0 76 -3,-0.7 3,-1.2 2,-0.2 -2,-0.2 0.790 106.6 57.7 -76.9 -31.0 11.1 16.0 33.2 245 259 A I H >< S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.2 6,-0.2 0.906 98.6 63.0 -59.9 -39.3 13.6 14.1 31.1 246 260 A K T 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.626 104.5 46.8 -60.6 -14.2 13.3 17.1 28.7 247 261 A K T < S+ 0 0 152 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.261 84.2 123.7-109.6 6.0 14.7 19.2 31.6 248 262 A D <> - 0 0 7 -3,-2.1 4,-1.9 -4,-0.1 5,-0.2 -0.434 67.0-125.1 -72.3 141.4 17.6 16.9 32.5 249 263 A R T 4 S+ 0 0 159 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.891 108.9 43.8 -54.9 -45.0 21.1 18.4 32.4 250 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.911 109.9 56.4 -68.7 -40.9 22.6 15.8 30.0 251 265 A Y T 34 S+ 0 0 15 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.842 115.0 39.2 -57.1 -34.8 19.6 15.9 27.7 252 266 A N T 3< S+ 0 0 100 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.360 89.9 115.8 -98.3 4.4 20.2 19.7 27.4 253 267 A K < - 0 0 72 -3,-1.2 2,-0.2 -4,-0.4 -3,-0.0 -0.623 68.4-125.8 -75.3 122.5 24.0 19.5 27.2 254 268 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.514 33.3-153.8 -68.9 135.9 25.4 20.7 23.8 255 269 A L 0 0 53 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.951 360.0 360.0-130.5 133.9 27.7 17.9 22.4 256 270 A K 0 0 133 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.796 360.0 360.0 -78.5 360.0 30.7 17.7 20.0