==== 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 2WMS . 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, . 243 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 67.9 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 . 39 16.0 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 . 3 1.2 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 . 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 . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 27.2 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+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 0 1 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 . 2 3 3 0 2 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 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 89 0, 0.0 2,-0.6 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 32.1 2.1 0.9 -9.5 2 8 A D - 0 0 118 15,-0.0 17,-0.6 2,-0.0 2,-0.2 -0.918 360.0-139.4-114.6 102.8 3.0 -2.8 -9.7 3 9 A W E -A 18 0A 79 -2,-0.6 2,-0.4 15,-0.1 15,-0.2 -0.417 3.6-140.4 -78.8 128.1 5.8 -3.1 -7.2 4 10 A D E -A 17 0A 97 13,-2.7 13,-2.5 -2,-0.2 2,-1.1 -0.668 14.7-138.8 -77.6 130.3 8.9 -5.2 -7.7 5 11 A L E +A 16 0A 90 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.757 25.5 178.2 -93.6 95.5 10.0 -7.1 -4.6 6 12 A V E - 0 0 88 9,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.899 53.9 -27.0 -64.9 -46.9 13.8 -6.7 -4.6 7 13 A Q E -A 15 0A 100 8,-0.6 8,-2.9 0, 0.0 2,-0.3 -0.990 61.6 -93.7-163.6 164.5 14.9 -8.5 -1.5 8 14 A T E -A 14 0A 77 -2,-0.3 6,-0.3 6,-0.2 -3,-0.0 -0.648 27.0-178.9 -87.4 146.7 13.9 -9.6 2.0 9 15 A L 0 0 77 4,-3.2 5,-0.2 1,-0.3 -1,-0.1 0.568 360.0 360.0-118.2 -18.7 14.8 -7.4 5.0 10 16 A G 0 0 72 3,-1.3 -1,-0.3 0, 0.0 3,-0.2 -0.979 360.0 360.0-169.0 360.0 13.5 -9.4 8.0 11 ! 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 12 22 A E 0 0 112 0, 0.0 17,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 92.4 8.3 -10.9 7.1 13 23 A V E - B 0 28A 27 15,-0.2 -4,-3.2 -3,-0.2 -3,-1.3 -0.726 360.0-175.6-102.9 142.4 9.3 -7.7 5.3 14 24 A Q E -AB 8 27A 43 13,-2.6 13,-3.0 -2,-0.3 2,-0.6 -0.829 30.3-109.5-126.4 162.8 10.5 -7.2 1.7 15 25 A L E -AB 7 26A 17 -8,-2.9 -9,-2.1 -2,-0.3 -8,-0.6 -0.871 33.1-167.3 -96.6 120.1 11.8 -4.2 -0.3 16 26 A A E -AB 5 25A 1 9,-3.0 9,-2.8 -2,-0.6 2,-0.4 -0.906 3.2-170.1-107.9 132.7 9.4 -3.1 -3.0 17 27 A V E -AB 4 24A 39 -13,-2.5 -13,-2.7 -2,-0.4 2,-0.5 -0.973 21.2-127.7-120.7 136.3 10.4 -0.6 -5.7 18 28 A N E > -A 3 0A 11 5,-1.0 4,-1.5 -2,-0.4 -15,-0.1 -0.695 8.8-152.4 -85.0 128.0 8.0 1.0 -8.1 19 29 A R T 4 S+ 0 0 152 -17,-0.6 -1,-0.1 -2,-0.5 -16,-0.1 0.904 92.9 47.0 -63.4 -44.3 8.9 0.6 -11.8 20 30 A V T 4 S+ 0 0 102 1,-0.1 -1,-0.2 -18,-0.1 -2,-0.0 0.893 135.8 8.0 -66.7 -43.5 7.2 3.8 -12.9 21 31 A T T 4 S- 0 0 83 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.626 86.7-139.3-115.3 -24.5 8.5 6.2 -10.2 22 32 A E < + 0 0 61 -4,-1.5 2,-0.4 1,-0.3 -3,-0.1 0.547 42.3 157.0 77.7 8.7 11.0 4.0 -8.4 23 33 A E - 0 0 133 -6,-0.1 -5,-1.0 1,-0.1 -1,-0.3 -0.530 38.7-132.2 -64.7 121.8 10.1 5.2 -5.0 24 34 A A E +B 17 0A 41 -2,-0.4 38,-0.5 -7,-0.2 2,-0.3 -0.514 29.0 177.2 -78.0 143.6 11.2 2.5 -2.6 25 35 A V E -B 16 0A 9 -9,-2.8 -9,-3.0 -2,-0.2 2,-0.5 -0.988 28.4-122.5-140.7 153.5 8.8 1.2 0.1 26 36 A A E -BC 15 60A 11 34,-2.8 34,-3.3 -2,-0.3 2,-0.5 -0.827 24.9-155.1 -95.0 132.8 9.1 -1.6 2.8 27 37 A V E -BC 14 59A 4 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.6 -0.937 3.8-157.6-114.0 118.7 6.4 -4.2 2.6 28 38 A K E BC 13 58A 41 30,-2.3 30,-2.5 -2,-0.5 -15,-0.2 -0.849 360.0 360.0 -95.4 117.9 5.4 -6.2 5.7 29 39 A I 0 0 79 -17,-2.4 28,-0.2 -2,-0.6 -2,-0.0 -0.719 360.0 360.0 -92.2 360.0 3.8 -9.5 4.7 30 ! 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 31 51 A N > 0 0 111 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.2 -3.0 -8.6 16.4 32 52 A I H > + 0 0 52 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.856 360.0 61.3 -77.8 -36.3 -2.7 -7.3 12.9 33 53 A K H > S+ 0 0 170 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 107.9 47.3 -57.2 -38.9 -6.1 -5.5 12.7 34 54 A K H > S+ 0 0 80 2,-0.2 4,-3.4 3,-0.2 5,-0.3 0.879 107.1 56.5 -67.8 -39.8 -4.8 -3.4 15.6 35 55 A E H X S+ 0 0 15 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.941 113.7 39.4 -57.4 -50.3 -1.4 -2.8 13.9 36 56 A I H X S+ 0 0 26 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.888 114.8 54.7 -64.9 -41.5 -3.2 -1.3 10.9 37 57 A C H X S+ 0 0 77 -4,-2.1 4,-0.8 -5,-0.3 3,-0.3 0.973 114.3 39.7 -53.6 -57.7 -5.7 0.5 13.1 38 58 A I H >X S+ 0 0 3 -4,-3.4 3,-1.1 1,-0.2 4,-1.1 0.897 110.9 57.3 -61.9 -45.9 -2.9 2.2 15.1 39 59 A N H 3< S+ 0 0 6 -4,-2.7 3,-0.3 -5,-0.3 11,-0.3 0.845 99.7 61.9 -53.2 -35.3 -0.7 2.9 12.0 40 60 A K H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.817 102.6 50.1 -61.5 -34.5 -3.7 4.8 10.5 41 61 A M H << S+ 0 0 85 -3,-1.1 -1,-0.2 -4,-0.8 2,-0.2 0.774 91.9 99.0 -72.9 -32.2 -3.6 7.3 13.4 42 62 A L < + 0 0 20 -4,-1.1 8,-0.3 -3,-0.3 2,-0.1 -0.412 31.2 156.8 -74.3 133.0 0.2 8.1 13.2 43 63 A N + 0 0 118 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.525 28.5 128.1-146.0 75.6 1.7 11.1 11.4 44 64 A H > - 0 0 25 3,-0.3 3,-1.2 1,-0.1 49,-0.1 -0.965 58.2-134.0-134.4 151.4 5.2 11.9 12.8 45 65 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 48,-0.1 0.603 111.2 50.4 -76.5 -11.4 8.7 12.5 11.3 46 66 A N T 3 S+ 0 0 10 75,-0.1 76,-2.1 46,-0.1 2,-0.4 0.039 100.9 76.0-112.2 22.8 10.2 10.2 14.0 47 67 A V B < S-e 122 0B 2 -3,-1.2 -3,-0.3 74,-0.3 76,-0.2 -0.998 93.2-102.6-131.0 132.6 7.7 7.4 13.3 48 68 A V - 0 0 6 74,-2.0 2,-0.2 -2,-0.4 -2,-0.1 -0.304 47.7-115.4 -48.7 123.2 7.9 5.0 10.4 49 69 A K - 0 0 71 -4,-0.1 12,-2.9 -6,-0.1 2,-0.6 -0.403 17.2-145.0 -73.6 136.1 5.2 6.1 7.9 50 70 A F E +D 60 0A 41 -8,-0.3 10,-0.2 -11,-0.3 3,-0.1 -0.901 19.4 175.5 -99.8 118.9 2.2 4.0 7.0 51 71 A Y E - 0 0 127 8,-3.4 2,-0.3 -2,-0.6 9,-0.2 0.833 52.5 -82.6 -90.1 -39.5 1.2 4.3 3.4 52 72 A G E -D 59 0A 16 7,-1.0 7,-2.2 2,-0.0 -1,-0.3 -0.977 38.0-119.9 166.2-153.4 -1.6 1.7 3.3 53 73 A H E D 58 0A 107 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.980 360.0 360.0-173.3 166.7 -2.4 -2.0 2.9 54 74 A R 0 0 87 3,-1.2 3,-2.1 -2,-0.3 -2,-0.0 -0.994 360.0 360.0-150.7 360.0 -4.2 -4.6 0.9 55 ! 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 56 80 A Q 0 0 130 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 141.4 -2.1 -9.1 4.2 57 81 A Y - 0 0 113 -3,-2.1 -3,-1.2 -28,-0.2 2,-0.6 -0.955 360.0-159.6-122.3 124.5 0.4 -6.5 3.0 58 82 A L E -CD 28 53A 3 -30,-2.5 -30,-2.3 -2,-0.5 2,-0.9 -0.899 9.2-149.5-106.7 123.6 1.6 -3.4 4.9 59 83 A F E +CD 27 52A 49 -7,-2.2 -8,-3.4 -2,-0.6 -7,-1.0 -0.786 29.8 173.5 -93.1 105.7 3.1 -0.5 2.9 60 84 A L E -CD 26 50A 16 -34,-3.3 -34,-2.8 -2,-0.9 -10,-0.2 -0.804 40.4 -90.4-117.6 150.9 5.6 1.2 5.2 61 85 A E - 0 0 24 -12,-2.9 2,-0.6 -2,-0.3 -36,-0.1 -0.366 44.3-132.1 -53.6 125.9 8.2 3.9 4.9 62 86 A Y - 0 0 68 -38,-0.5 2,-0.8 -2,-0.1 -38,-0.1 -0.770 13.8-154.1 -88.9 123.7 11.5 2.3 3.9 63 87 A C > - 0 0 11 -2,-0.6 3,-1.1 1,-0.1 51,-0.3 -0.824 11.5-175.0-102.2 101.9 14.5 3.4 6.0 64 88 A S T 3 S+ 0 0 69 -2,-0.8 51,-0.2 1,-0.2 -1,-0.1 0.483 74.6 76.6 -76.3 -1.2 17.7 3.0 4.0 65 89 A G T 3 S- 0 0 18 49,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.795 94.8-136.2 -76.7 -29.2 19.8 4.1 7.0 66 90 A G E < -F 114 0B 26 -3,-1.1 48,-3.6 48,-1.0 -1,-0.3 -0.740 36.5 -44.3 108.5-153.2 19.4 0.7 8.7 67 91 A E E >> -F 113 0B 63 -2,-0.3 3,-0.9 46,-0.3 4,-0.8 -0.747 48.2-110.8-117.1 162.1 18.6 0.1 12.4 68 92 A L G >4 S+ 0 0 0 44,-2.6 3,-0.6 41,-1.0 4,-0.5 0.816 112.8 63.4 -59.9 -35.0 20.0 1.7 15.5 69 93 A F G >4 S+ 0 0 60 40,-0.7 3,-1.4 1,-0.2 -1,-0.3 0.858 95.9 59.3 -59.9 -35.4 21.9 -1.4 16.6 70 94 A D G <4 S+ 0 0 112 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 101.6 55.3 -60.8 -36.0 24.0 -1.2 13.5 71 95 A R G << S+ 0 0 90 -4,-0.8 2,-0.6 -3,-0.6 -1,-0.3 0.572 94.0 86.1 -70.9 -13.4 25.2 2.2 14.7 72 96 A I S < S- 0 0 14 -3,-1.4 6,-0.2 -4,-0.5 105,-0.1 -0.845 70.0-145.8-100.4 122.6 26.3 0.8 18.0 73 97 A E B >> -H 77 0C 116 4,-2.4 4,-3.3 -2,-0.6 3,-1.9 -0.710 35.8-105.6 -81.5 123.0 29.8 -0.7 18.3 74 98 A P T 34 S+ 0 0 94 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.222 99.2 3.6 -53.1 136.7 29.7 -3.6 20.8 75 99 A D T 34 S+ 0 0 100 105,-1.6 105,-0.2 1,-0.2 106,-0.2 0.346 134.6 55.3 70.7 -3.6 31.2 -2.8 24.2 76 100 A I T <4 S- 0 0 108 -3,-1.9 2,-0.5 104,-0.2 104,-0.3 0.695 78.5-163.5-123.4 -48.1 31.8 0.8 23.2 77 101 A G B < -H 73 0C 2 -4,-3.3 -4,-2.4 102,-0.2 101,-0.2 -0.819 37.2 -64.9 98.1-127.6 28.6 2.4 22.0 78 102 A M - 0 0 22 99,-1.6 2,-0.2 -2,-0.5 -6,-0.1 -0.930 62.2 -59.3-153.0 170.3 28.9 5.5 20.0 79 103 A P >> - 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.426 49.0-125.8 -57.2 128.2 30.0 9.2 20.3 80 104 A E H 3> S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.795 109.0 60.1 -46.2 -39.1 28.0 10.8 23.0 81 105 A P H 3> S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.863 106.4 45.5 -59.0 -41.1 26.9 13.6 20.5 82 106 A D H <> S+ 0 0 75 -3,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.816 111.4 53.6 -69.9 -33.0 25.3 11.0 18.2 83 107 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.878 108.8 48.7 -67.2 -39.3 23.6 9.3 21.2 84 108 A Q H X S+ 0 0 17 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.944 110.3 50.3 -67.3 -48.3 22.1 12.6 22.3 85 109 A R H X S+ 0 0 86 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.888 112.8 47.3 -57.8 -40.5 20.8 13.4 18.8 86 110 A F H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.837 111.7 50.8 -67.9 -34.3 19.2 10.0 18.6 87 111 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.878 106.1 54.1 -75.3 -39.7 17.7 10.3 22.1 88 112 A H H X S+ 0 0 56 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.869 114.1 42.9 -56.5 -40.3 16.2 13.8 21.3 89 113 A Q H X S+ 0 0 27 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.861 111.4 53.7 -77.7 -36.9 14.5 12.2 18.3 90 114 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 111.8 46.6 -59.0 -43.5 13.5 9.1 20.3 91 115 A M H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.877 108.8 54.8 -65.1 -42.4 11.9 11.4 22.8 92 116 A A H X S+ 0 0 28 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.911 112.0 43.9 -56.8 -46.9 10.1 13.4 20.1 93 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 115.5 47.0 -65.6 -45.5 8.6 10.2 18.7 94 118 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.898 109.0 53.7 -68.5 -39.3 7.6 8.9 22.1 95 119 A V H X S+ 0 0 58 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.924 111.5 48.5 -56.8 -43.2 6.1 12.2 23.2 96 120 A Y H X S+ 0 0 50 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.933 110.5 47.6 -62.9 -53.5 4.0 12.1 20.1 97 121 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-1.1 0.950 116.0 45.3 -54.4 -52.3 2.8 8.6 20.5 98 122 A H H ><5S+ 0 0 8 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.864 104.4 64.9 -58.8 -35.9 1.9 9.3 24.1 99 123 A G H 3<5S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.783 108.6 39.7 -58.0 -28.7 0.3 12.5 23.0 100 124 A I T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 -0.091 124.7 -98.1-116.2 32.5 -2.3 10.5 21.1 101 125 A G T < 5S+ 0 0 1 -3,-2.0 30,-2.7 1,-0.2 31,-1.3 0.641 80.4 130.6 67.2 20.8 -2.8 7.8 23.7 102 126 A I E < -I 130 0D 0 -5,-2.7 2,-0.4 28,-0.2 28,-0.2 -0.909 36.9-167.2-112.4 128.8 -0.5 5.2 22.1 103 127 A T E -I 129 0D 0 26,-2.6 26,-2.0 -2,-0.5 60,-0.1 -0.945 12.4-153.9-108.3 134.1 2.3 3.2 23.8 104 128 A H - 0 0 0 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.918 15.6-166.4 -69.4 -50.2 4.7 1.3 21.6 105 129 A R S S+ 0 0 26 57,-0.1 41,-0.2 23,-0.1 -1,-0.1 0.208 71.2 64.2 83.5 -10.6 5.5 -1.3 24.3 106 130 A D + 0 0 15 18,-0.1 2,-0.6 39,-0.1 39,-0.1 -0.450 61.4 162.8-140.6 65.6 8.6 -2.7 22.5 107 131 A I + 0 0 2 42,-0.1 39,-0.1 39,-0.1 66,-0.1 -0.765 20.4 125.9 -93.6 122.2 11.2 0.1 22.3 108 132 A K S > S- 0 0 35 -2,-0.6 3,-2.0 65,-0.0 4,-0.2 -0.947 73.8 -92.1-168.0 159.0 14.6 -1.3 21.5 109 133 A P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -41,-1.0 0.753 120.9 65.1 -59.8 -25.8 17.3 -0.5 18.9 110 134 A E G 3 S+ 0 0 71 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.806 107.1 43.5 -61.1 -28.5 15.9 -3.3 16.6 111 135 A N G < S+ 0 0 16 -3,-2.0 12,-2.9 -5,-0.1 2,-0.7 0.249 94.5 86.7-104.5 9.2 12.8 -1.1 16.4 112 136 A L E < - G 0 122B 0 -3,-1.1 -44,-2.6 10,-0.2 2,-0.3 -0.935 65.3-169.1-109.3 105.6 14.5 2.2 15.9 113 137 A L E -FG 67 121B 37 8,-2.9 8,-2.8 -2,-0.7 2,-0.5 -0.699 12.5-139.3-100.2 148.0 15.2 2.6 12.2 114 138 A L E -FG 66 120B 0 -48,-3.6 -49,-2.1 -2,-0.3 -48,-1.0 -0.905 11.1-154.6-111.1 130.7 17.4 5.2 10.5 115 139 A D > - 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0 0 10 -3,-2.4 4,-2.3 1,-0.2 3,-0.4 -0.901 68.5-154.7-109.4 118.0 19.4 -10.7 38.7 192 216 A Q H > S+ 0 0 116 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.917 92.9 53.9 -54.7 -52.9 22.9 -9.7 40.1 193 217 A E H > S+ 0 0 92 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.830 112.6 44.3 -53.2 -38.9 23.5 -6.9 37.5 194 218 A Y H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.3 -1,-0.2 0.858 110.5 53.1 -77.0 -38.4 20.2 -5.2 38.4 195 219 A S H X S+ 0 0 25 -4,-2.3 4,-0.9 -7,-0.3 -2,-0.2 0.868 107.1 55.4 -61.4 -34.6 20.7 -5.6 42.2 196 220 A D H <>S+ 0 0 20 -4,-2.4 5,-2.9 -5,-0.2 -1,-0.2 0.856 108.3 46.4 -66.6 -38.7 24.1 -4.0 41.7 197 221 A W H ><5S+ 0 0 4 -4,-1.1 3,-1.8 2,-0.2 -2,-0.2 0.898 109.0 53.0 -70.1 -45.1 22.5 -0.9 40.0 198 222 A K H 3<5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.751 110.5 51.1 -61.4 -21.9 19.8 -0.6 42.6 199 223 A E T 3<5S- 0 0 116 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.448 116.6-120.8 -92.0 -4.7 22.8 -0.6 45.0 200 224 A K T < 5 + 0 0 116 -3,-1.8 2,-2.6 1,-0.2 -3,-0.2 0.741 53.8 158.5 72.2 25.7 24.5 2.1 43.0 201 225 A K > < + 0 0 55 -5,-2.9 3,-1.5 1,-0.2 -1,-0.2 -0.416 8.6 157.6 -75.1 66.6 27.6 0.1 42.2 202 226 A T T 3 + 0 0 46 -2,-2.6 -1,-0.2 1,-0.3 -5,-0.1 0.510 55.4 79.3 -75.9 -4.0 28.3 2.4 39.2 203 227 A Y T 3 S+ 0 0 149 -3,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.598 87.3 76.2 -76.9 -10.8 32.0 1.5 39.2 204 228 A L S <> S- 0 0 69 -3,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.412 91.5 -43.7 -90.9 171.6 30.9 -1.7 37.4 205 229 A N T 4 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.516 113.1 11.8 -82.1 151.3 29.8 -2.1 33.8 206 230 A P T >4 S+ 0 0 1 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.992 125.2 55.5 -80.9 -10.1 28.2 -0.7 31.8 207 231 A W G >4 S+ 0 0 7 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.798 98.3 63.6 -59.1 -34.2 27.8 2.4 34.0 208 232 A K G 3< S+ 0 0 157 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.744 97.1 58.0 -60.1 -26.0 31.6 2.9 34.3 209 233 A K G < S+ 0 0 70 -3,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.387 94.2 90.6 -81.9 4.1 31.8 3.5 30.6 210 234 A I S < S- 0 0 14 -3,-1.9 -31,-0.1 -4,-0.2 -35,-0.0 -0.882 79.5-116.9-118.7 126.5 29.4 6.4 30.9 211 235 A D > - 0 0 75 -2,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.127 32.9-111.1 -55.3 155.0 30.1 10.1 31.5 212 236 A S H > S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.764 110.9 54.6 -63.6 -30.2 28.7 11.5 34.8 213 237 A A H > S+ 0 0 3 2,-0.2 4,-0.9 1,-0.2 27,-0.4 0.927 112.3 38.6 -75.2 -48.2 26.1 13.8 33.1 214 238 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.852 115.1 57.1 -68.6 -29.1 24.3 11.2 31.0 215 239 A L H X S+ 0 0 18 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.806 99.9 56.7 -71.3 -29.6 24.7 8.8 33.9 216 240 A A H X S+ 0 0 45 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.801 107.0 51.0 -67.2 -30.8 22.9 11.2 36.2 217 241 A L H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.3 -2,-0.2 0.813 107.2 51.5 -73.7 -35.2 20.0 11.0 33.7 218 242 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.788 103.2 59.8 -73.6 -27.8 20.0 7.2 33.8 219 243 A H H < S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 110.6 42.8 -63.7 -32.2 19.8 7.4 37.6 220 244 A K H < S+ 0 0 85 -4,-0.7 10,-2.0 -5,-0.1 3,-0.4 0.804 119.8 41.0 -83.7 -32.6 16.6 9.3 37.1 221 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.5 1,-0.2 -2,-0.2 0.915 107.4 57.9 -80.7 -49.1 15.2 7.1 34.4 222 246 A L S < S+ 0 0 4 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.145 74.6 140.1 -83.7 47.7 16.1 3.7 35.7 223 247 A V - 0 0 37 -2,-1.5 6,-0.2 -3,-0.4 5,-0.1 -0.781 49.4-143.2 -90.8 128.8 14.2 4.3 38.9 224 248 A E S S+ 0 0 67 -2,-0.4 -71,-0.3 4,-0.1 -1,-0.1 0.867 83.8 71.7 -67.7 -42.2 12.3 1.1 40.0 225 249 A N S >> S- 0 0 76 1,-0.2 4,-1.8 -73,-0.1 3,-1.4 -0.676 75.6-149.9 -75.5 113.8 9.2 2.8 41.4 226 250 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.725 95.0 55.7 -63.7 -20.4 7.3 4.0 38.3 227 251 A S T 34 S+ 0 0 101 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.0 0.700 111.2 43.3 -80.1 -22.0 5.8 6.9 40.3 228 252 A A T <4 S+ 0 0 66 -3,-1.4 -1,-0.2 2,-0.1 3,-0.1 0.709 93.0 107.7 -92.5 -22.8 9.2 8.1 41.3 229 253 A R S < S- 0 0 7 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.218 82.0 -99.3 -58.4 139.6 10.6 7.6 37.8 230 254 A I - 0 0 19 -10,-2.0 2,-0.3 -13,-0.1 -1,-0.1 -0.196 35.7-135.3 -59.2 147.8 11.3 10.7 35.8 231 255 A T >> - 0 0 74 -3,-0.1 4,-2.0 1,-0.1 3,-0.5 -0.688 22.9-106.6-102.6 164.7 8.7 11.7 33.2 232 256 A I H 3> S+ 0 0 12 1,-0.3 4,-2.0 -2,-0.3 5,-0.1 0.851 117.6 55.3 -60.6 -40.9 9.4 12.9 29.7 233 257 A P H 34 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.896 112.9 45.0 -58.5 -36.2 8.6 16.6 30.3 234 258 A D H X4 S+ 0 0 79 -3,-0.5 3,-1.1 1,-0.2 4,-0.3 0.777 106.2 57.5 -79.0 -29.8 11.3 16.5 33.1 235 259 A I H >< S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 6,-0.2 0.884 99.6 62.7 -57.4 -40.2 13.8 14.5 31.0 236 260 A K T 3< S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.602 105.3 45.2 -63.0 -12.6 13.4 17.5 28.6 237 261 A K T < S+ 0 0 154 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.378 85.9 123.2-109.3 -1.9 14.9 19.7 31.3 238 262 A D <> - 0 0 7 -3,-1.6 4,-1.9 -4,-0.3 5,-0.1 -0.306 67.9-123.7 -66.0 145.5 17.7 17.4 32.3 239 263 A R T 4 S+ 0 0 163 1,-0.2 -1,-0.1 2,-0.2 4,-0.1 0.875 109.1 44.2 -61.7 -43.6 21.3 18.8 32.1 240 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.880 110.6 56.8 -68.6 -36.7 22.8 16.2 29.8 241 265 A Y T 34 S+ 0 0 16 1,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.896 114.7 37.9 -56.8 -42.3 19.7 16.4 27.5 242 266 A N T 3< S+ 0 0 98 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.246 90.9 119.9 -96.5 13.6 20.2 20.1 27.1 243 267 A K < - 0 0 71 -3,-1.1 2,-0.3 -5,-0.1 -3,-0.0 -0.676 68.3-121.2 -83.7 124.0 24.0 19.9 27.0 244 268 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.488 37.6-177.5 -67.6 121.2 25.5 21.3 23.7 245 269 A L 0 0 51 -2,-0.3 -2,-0.0 -164,-0.1 0, 0.0 -0.971 360.0 360.0-127.6 138.0 27.6 18.5 22.1 246 270 A K 0 0 134 -2,-0.4 -1,-0.1 -164,-0.0 -164,-0.0 0.182 360.0 360.0 -98.8 360.0 29.7 18.5 18.9