==== 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 2WMU . 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, . 246 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 65.9 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 . 42 17.1 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 . 2 0.8 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.4 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 0 2 0 1 1 0 1 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 . 2 3 1 1 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 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 9 A W 0 0 106 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 126.7 5.7 -2.5 -7.0 2 10 A D E -A 15 0A 88 13,-2.0 13,-2.9 0, 0.0 2,-1.0 -0.936 360.0-128.3-114.8 133.8 8.5 -4.9 -7.3 3 11 A L E -A 14 0A 97 -2,-0.4 11,-0.3 11,-0.3 3,-0.1 -0.693 24.0-177.9 -87.2 103.2 10.3 -6.3 -4.2 4 12 A V E - 0 0 94 9,-1.2 2,-0.3 -2,-1.0 -1,-0.2 0.895 62.4 -20.6 -64.7 -44.0 14.0 -5.8 -4.8 5 13 A Q E -A 13 0A 115 8,-1.0 8,-2.3 0, 0.0 2,-0.6 -0.975 69.2 -88.1-160.0 170.8 15.1 -7.4 -1.5 6 14 A T E -A 12 0A 77 6,-0.3 6,-0.3 -2,-0.3 8,-0.0 -0.788 23.9-157.0 -95.5 122.6 14.2 -8.5 2.0 7 15 A L 0 0 66 4,-1.8 5,-0.2 -2,-0.6 -1,-0.1 0.820 360.0 360.0 -63.8 -36.2 14.7 -5.8 4.7 8 16 A G 0 0 83 3,-1.3 3,-1.1 0, 0.0 -1,-0.2 -0.943 360.0 360.0 128.0 360.0 14.9 -8.3 7.5 9 ! 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 10 22 A E 0 0 134 0, 0.0 17,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.0 8.3 -10.0 6.6 11 23 A V E + B 0 26A 31 -3,-1.1 -4,-1.8 15,-0.2 -3,-1.3 -0.914 360.0 170.5-110.7 125.6 9.5 -6.7 5.3 12 24 A Q E -AB 6 25A 6 13,-1.8 13,-2.5 -2,-0.5 2,-0.3 -0.953 39.3-103.7-129.5 148.5 11.1 -6.3 1.9 13 25 A L E -AB 5 24A 14 -8,-2.3 -9,-1.2 -2,-0.3 -8,-1.0 -0.562 36.2-161.7 -72.6 130.5 12.1 -3.2 -0.0 14 26 A A E -AB 3 23A 0 9,-2.7 9,-0.7 -2,-0.3 2,-0.5 -0.955 4.3-163.3-118.8 123.2 9.6 -2.4 -2.8 15 27 A V E -AB 2 22A 26 -13,-2.9 -13,-2.0 -2,-0.5 2,-0.4 -0.887 18.7-131.4-108.0 126.8 10.5 -0.1 -5.7 16 28 A N > - 0 0 32 5,-2.9 4,-1.9 -2,-0.5 5,-0.0 -0.594 13.7-146.1 -75.6 127.5 7.8 1.3 -7.9 17 29 A R T 4 S+ 0 0 155 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 0.918 91.6 37.7 -63.8 -47.1 8.6 0.8 -11.5 18 30 A V T 4 S+ 0 0 120 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.972 130.8 28.0 -69.5 -57.5 7.1 4.0 -13.0 19 31 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.874 91.9-144.1 -67.4 -40.4 8.0 6.4 -10.2 20 32 A E < + 0 0 133 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.479 45.9 151.8 83.9 4.4 11.0 4.5 -9.2 21 33 A E - 0 0 124 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.3 -0.378 37.9-133.9 -68.2 144.8 10.2 5.4 -5.6 22 34 A A E +B 15 0A 45 -7,-0.2 43,-0.3 -3,-0.1 2,-0.3 -0.612 31.2 156.2-100.0 160.5 11.3 3.0 -2.8 23 35 A V E -B 14 0A 8 -9,-0.7 -9,-2.7 -2,-0.2 2,-0.5 -0.970 39.6-102.1-165.4 176.1 9.4 1.7 0.2 24 36 A A E -BC 13 63A 7 39,-2.7 39,-3.4 -2,-0.3 2,-0.5 -0.956 29.1-159.4-114.5 130.7 9.1 -1.0 2.7 25 37 A V E -BC 12 62A 5 -13,-2.5 -13,-1.8 -2,-0.5 2,-0.6 -0.942 2.7-155.8-113.4 129.6 6.3 -3.6 2.3 26 38 A K E -BC 11 61A 24 35,-2.4 35,-3.0 -2,-0.5 2,-0.5 -0.921 9.2-168.2-106.5 120.3 5.1 -5.6 5.2 27 39 A I E + C 0 60A 44 -17,-2.6 2,-0.3 -2,-0.6 33,-0.2 -0.939 17.2 157.8-111.9 124.4 3.6 -8.9 4.3 28 40 A V E C 0 59A 42 31,-2.4 31,-1.5 -2,-0.5 -2,-0.0 -0.931 360.0 360.0-150.2 120.0 1.7 -10.8 7.0 29 41 A D 0 0 178 -2,-0.3 31,-0.0 29,-0.2 -2,-0.0 -0.275 360.0 360.0 -91.1 360.0 -1.0 -13.5 6.6 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 0 117 0, 0.0 4,-4.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -81.2 -2.4 -7.4 16.0 32 52 A I H > + 0 0 47 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 360.0 45.7 -62.8 -42.9 -2.3 -6.9 12.3 33 53 A K H > S+ 0 0 176 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 119.7 41.4 -64.5 -43.4 -5.8 -5.4 12.3 34 54 A K H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.882 113.4 53.7 -67.2 -41.4 -4.9 -3.3 15.3 35 55 A E H X S+ 0 0 5 -4,-4.6 4,-2.0 1,-0.2 -2,-0.2 0.899 111.2 45.6 -62.9 -42.1 -1.4 -2.5 13.9 36 56 A I H X S+ 0 0 19 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.905 113.4 50.5 -64.9 -42.3 -3.0 -1.3 10.7 37 57 A C H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 113.7 43.8 -63.6 -42.2 -5.6 0.7 12.6 38 58 A I H >X S+ 0 0 7 -4,-2.8 3,-1.5 1,-0.2 4,-0.8 0.852 108.7 57.7 -72.6 -36.3 -3.0 2.4 14.8 39 59 A N H >< S+ 0 0 5 -4,-2.0 3,-0.7 1,-0.3 11,-0.3 0.853 99.7 58.8 -63.1 -34.8 -0.7 3.1 12.0 40 60 A K T 3< S+ 0 0 74 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.340 102.1 56.0 -77.2 6.2 -3.5 5.1 10.2 41 61 A M T <4 S+ 0 0 81 -3,-1.5 2,-0.2 62,-0.0 -1,-0.2 0.629 89.4 96.2-104.1 -27.5 -3.6 7.4 13.2 42 62 A L << + 0 0 25 -4,-0.8 8,-0.3 -3,-0.7 2,-0.1 -0.488 34.9 160.2 -77.5 132.9 0.0 8.3 13.1 43 63 A N + 0 0 125 -2,-0.2 2,-0.3 6,-0.1 6,-0.1 -0.541 30.1 123.0-145.5 74.3 1.4 11.5 11.5 44 64 A H > - 0 0 31 3,-0.2 3,-1.4 -2,-0.1 52,-0.0 -0.989 61.7-129.3-140.1 149.7 4.9 12.4 12.8 45 65 A E T 3 S+ 0 0 115 -2,-0.3 51,-0.1 1,-0.3 4,-0.1 0.423 110.5 51.4 -74.1 3.1 8.4 13.0 11.4 46 66 A N T 3 S+ 0 0 12 49,-0.1 79,-2.5 78,-0.1 2,-0.4 0.079 97.6 75.2-126.4 22.3 9.8 10.5 14.0 47 67 A V B < S-e 125 0B 2 -3,-1.4 -3,-0.2 77,-0.3 79,-0.2 -0.998 95.5 -97.9-134.4 134.7 7.5 7.6 13.3 48 68 A V - 0 0 8 77,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.320 51.0-112.6 -52.6 126.0 7.8 5.4 10.3 49 69 A K - 0 0 72 -4,-0.1 15,-2.6 -6,-0.1 2,-0.5 -0.415 21.5-144.5 -73.0 135.7 5.3 6.7 7.7 50 70 A F E +D 63 0A 41 -8,-0.3 13,-0.2 -11,-0.3 3,-0.1 -0.849 22.5 170.7 -98.5 127.9 2.2 4.6 6.8 51 71 A Y E - 0 0 129 11,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.833 54.2 -67.1-101.6 -56.0 1.1 4.8 3.2 52 72 A G E -D 62 0A 20 10,-0.6 10,-3.5 2,-0.0 -1,-0.4 -0.973 37.7-122.8-177.6-171.1 -1.6 2.1 2.9 53 73 A H E -D 61 0A 96 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.986 9.8-152.6-151.9 153.2 -2.4 -1.6 2.9 54 74 A R E -D 60 0A 51 6,-1.5 6,-1.7 -2,-0.3 2,-1.2 -0.985 10.2-145.4-138.9 129.0 -4.0 -4.2 0.6 55 75 A R E D 59 0A 80 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.682 360.0 360.0 -95.4 86.7 -5.8 -7.4 1.5 56 76 A E 0 0 99 2,-1.3 -2,-0.0 -2,-1.2 -1,-0.0 -0.511 360.0 360.0 -71.5 360.0 -5.0 -9.9 -1.2 57 ! 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 58 79 A I 0 0 64 0, 0.0 -2,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.1 -2.0 -12.2 2.9 59 80 A Q E -CD 28 55A 40 -31,-1.5 -31,-2.4 -4,-0.2 2,-0.5 -0.896 360.0-155.4-112.5 134.1 -1.9 -8.6 4.0 60 81 A Y E -CD 27 54A 77 -6,-1.7 -6,-1.5 -2,-0.4 2,-0.5 -0.913 5.3-166.6-113.3 119.2 0.5 -5.9 2.6 61 82 A L E -CD 26 53A 0 -35,-3.0 -35,-2.4 -2,-0.5 2,-0.7 -0.903 11.6-146.7-109.4 128.7 1.5 -2.8 4.6 62 83 A F E +CD 25 52A 43 -10,-3.5 -11,-3.2 -2,-0.5 -10,-0.6 -0.792 27.6 173.4 -99.8 110.9 3.2 0.1 2.8 63 84 A L E -CD 24 50A 13 -39,-3.4 -39,-2.7 -2,-0.7 -13,-0.2 -0.867 40.2 -90.6-123.3 153.6 5.8 1.9 5.0 64 85 A E - 0 0 18 -15,-2.6 2,-0.5 -2,-0.3 -41,-0.1 -0.307 45.5-128.6 -57.9 135.9 8.3 4.6 4.7 65 86 A Y - 0 0 64 -43,-0.3 2,-0.8 -51,-0.1 -1,-0.1 -0.788 15.4-155.6 -92.9 128.1 11.6 3.0 3.8 66 87 A C > - 0 0 11 -2,-0.5 3,-1.5 1,-0.1 51,-0.2 -0.862 9.1-172.3-108.8 101.0 14.5 4.0 6.0 67 88 A S T 3 S+ 0 0 66 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.627 80.9 72.4 -67.4 -15.4 17.7 3.6 4.0 68 89 A G T 3 S- 0 0 21 49,-1.6 -1,-0.3 1,-0.2 50,-0.2 0.814 91.2-155.5 -64.7 -37.4 19.6 4.3 7.2 69 90 A G E < -F 117 0B 29 -3,-1.5 48,-3.3 48,-0.9 -1,-0.2 -0.391 39.3 -13.8 86.9-168.8 18.7 0.9 8.7 70 91 A E E > -F 116 0B 67 46,-0.2 3,-0.9 1,-0.1 4,-0.4 -0.395 47.3-136.0 -71.0 144.9 18.4 0.0 12.3 71 92 A L G > S+ 0 0 0 44,-2.8 3,-1.0 41,-0.9 4,-0.2 0.735 104.8 73.4 -64.0 -23.7 19.8 2.2 15.1 72 93 A F G > S+ 0 0 95 40,-0.8 3,-1.1 43,-0.3 -1,-0.2 0.862 91.7 52.2 -60.2 -39.8 21.0 -1.2 16.4 73 94 A D G < S+ 0 0 119 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.591 99.7 63.1 -74.1 -14.1 23.7 -1.3 13.7 74 95 A R G < S+ 0 0 84 -3,-1.0 2,-0.6 -4,-0.4 -1,-0.2 0.422 86.5 91.4 -89.1 -0.6 25.0 2.2 14.6 75 96 A I S < S- 0 0 22 -3,-1.1 6,-0.2 -4,-0.2 105,-0.1 -0.862 70.6-145.1-101.1 122.5 26.0 0.8 18.0 76 97 A E B >> -H 80 0C 110 4,-2.8 4,-3.4 -2,-0.6 3,-1.9 -0.712 32.1-105.7 -85.4 129.5 29.5 -0.5 18.4 77 98 A P T 34 S+ 0 0 96 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.348 99.2 0.7 -64.0 129.7 29.6 -3.5 20.8 78 99 A D T 34 S+ 0 0 97 105,-2.3 105,-0.2 -2,-0.1 106,-0.1 0.446 135.2 58.0 76.3 1.5 31.1 -2.7 24.2 79 100 A I T <4 S- 0 0 111 -3,-1.9 2,-0.6 104,-0.2 104,-0.3 0.662 76.6-163.9-125.9 -41.3 31.6 0.9 23.0 80 101 A G B < -H 76 0C 1 -4,-3.4 -4,-2.8 102,-0.3 101,-0.3 -0.792 39.5 -69.0 90.0-119.9 28.3 2.4 22.0 81 102 A M - 0 0 21 99,-1.0 5,-0.1 -2,-0.6 -6,-0.1 -0.968 63.5 -54.5-168.7 161.2 28.7 5.6 19.9 82 103 A P >> - 0 0 76 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.240 49.6-126.3 -50.3 127.6 29.8 9.3 20.2 83 104 A E H 3> S+ 0 0 46 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.843 108.9 57.9 -42.3 -45.5 27.9 10.9 23.1 84 105 A P H 3> S+ 0 0 35 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.851 106.7 46.7 -56.3 -41.7 26.8 13.7 20.6 85 106 A D H <> S+ 0 0 75 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.819 110.9 52.8 -66.3 -36.2 25.1 11.3 18.2 86 107 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.889 108.1 51.0 -68.7 -40.7 23.4 9.5 21.1 87 108 A Q H X S+ 0 0 19 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.918 110.3 48.3 -63.8 -45.0 22.0 12.7 22.4 88 109 A R H X S+ 0 0 83 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.935 113.5 47.3 -57.5 -47.5 20.6 13.6 19.0 89 110 A F H X S+ 0 0 11 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.919 112.6 49.5 -62.5 -43.4 19.1 10.2 18.6 90 111 A F H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.859 107.8 54.4 -64.3 -39.3 17.6 10.4 22.1 91 112 A H H X S+ 0 0 55 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.944 111.7 43.9 -57.0 -48.2 16.1 13.8 21.4 92 113 A Q H X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.792 111.1 55.6 -71.5 -25.3 14.3 12.5 18.3 93 114 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.883 107.2 48.6 -71.0 -41.0 13.3 9.4 20.3 94 115 A M H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.927 108.8 54.1 -62.9 -44.8 11.6 11.6 22.9 95 116 A A H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 109.7 48.5 -51.6 -47.7 9.9 13.6 20.1 96 117 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.921 115.7 42.2 -58.7 -45.8 8.5 10.3 18.8 97 118 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.864 109.7 55.1 -75.9 -38.7 7.2 9.1 22.2 98 119 A V H X S+ 0 0 62 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.971 112.4 46.8 -55.3 -50.9 5.8 12.4 23.3 99 120 A Y H X S+ 0 0 47 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.946 113.4 45.9 -54.3 -57.3 3.8 12.4 20.1 100 121 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.9 0.948 116.1 46.5 -50.6 -54.0 2.6 8.8 20.5 101 122 A H H ><5S+ 0 0 7 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.836 105.0 61.6 -59.6 -37.2 1.8 9.3 24.1 102 123 A G H 3<5S+ 0 0 56 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.787 107.8 43.5 -63.8 -28.4 -0.0 12.6 23.2 103 124 A I T <<5S- 0 0 63 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.025 124.5-103.8-103.6 28.4 -2.4 10.6 21.1 104 125 A G T < 5S+ 0 0 0 -3,-1.9 30,-3.1 1,-0.2 31,-1.1 0.710 77.4 134.3 66.1 25.4 -2.8 7.9 23.7 105 126 A I E < -I 133 0D 0 -5,-2.6 2,-0.4 28,-0.2 28,-0.2 -0.908 37.0-164.7-113.0 130.3 -0.7 5.4 22.0 106 127 A T E -I 132 0D 1 26,-2.8 26,-1.8 -2,-0.5 60,-0.1 -0.948 10.9-156.6-111.0 128.5 2.1 3.2 23.6 107 128 A H - 0 0 0 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.932 17.8-166.8 -66.0 -47.6 4.6 1.4 21.4 108 129 A R S S+ 0 0 24 57,-0.1 -1,-0.1 23,-0.1 39,-0.1 0.263 70.7 59.0 80.2 -8.0 5.4 -1.2 24.1 109 130 A D + 0 0 18 18,-0.2 5,-0.1 39,-0.1 2,-0.1 -0.042 63.6 166.5-139.4 36.3 8.5 -2.6 22.5 110 131 A I + 0 0 0 42,-0.1 39,-0.1 3,-0.1 5,-0.1 -0.353 20.3 133.2 -60.8 128.7 10.9 0.3 22.1 111 132 A K > - 0 0 36 -2,-0.1 3,-1.4 1,-0.1 -40,-0.1 -0.956 69.2 -94.4-163.5 168.1 14.4 -1.1 21.3 112 133 A P G > S+ 0 0 1 0, 0.0 3,-2.1 0, 0.0 -41,-0.9 0.883 121.0 61.2 -61.3 -39.5 17.2 -0.4 18.8 113 134 A E G 3 S+ 0 0 59 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.713 109.0 46.3 -56.5 -21.1 16.0 -3.0 16.4 114 135 A N G < S+ 0 0 16 -3,-1.4 12,-2.3 -5,-0.1 2,-0.5 0.090 92.0 86.1-112.5 17.5 12.8 -0.9 16.2 115 136 A L E < - G 0 125B 0 -3,-2.1 -44,-2.8 10,-0.2 2,-0.3 -0.951 64.9-165.6-118.9 106.4 14.4 2.5 15.8 116 137 A L E -FG 70 124B 35 8,-2.5 8,-2.3 -2,-0.5 2,-0.4 -0.733 9.2-143.4 -99.2 141.4 15.1 3.1 12.1 117 138 A L E -FG 69 123B 0 -48,-3.3 -49,-1.6 -2,-0.3 -48,-0.9 -0.877 12.5-150.1-107.3 133.5 17.3 5.8 10.5 118 139 A D > - 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0 0 0 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.464 24.9-120.1 -70.8 143.8 10.2 -2.0 33.0 155 176 A P H >> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.750 108.7 63.6 -58.3 -30.5 10.3 -4.0 36.3 156 177 A E H 3> S+ 0 0 6 1,-0.3 4,-3.1 2,-0.2 6,-0.1 0.761 92.9 64.9 -67.7 -23.3 6.6 -3.3 37.2 157 178 A L H <4 S+ 0 0 13 -3,-1.5 -1,-0.3 1,-0.2 6,-0.0 0.825 106.5 42.3 -70.2 -28.2 5.6 -5.3 34.1 158 179 A L H << S+ 0 0 61 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.715 126.2 33.2 -82.9 -24.0 7.1 -8.3 35.7 159 180 A K H < S+ 0 0 111 -4,-1.0 2,-0.3 3,-0.0 -2,-0.2 0.629 103.0 73.7-109.9 -20.9 5.6 -7.6 39.2 160 181 A R < - 0 0 112 -4,-3.1 3,-0.1 -5,-0.1 0, 0.0 -0.757 59.1-147.7-108.8 150.3 2.3 -5.9 38.8 161 182 A R S S+ 0 0 200 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.707 95.8 14.4 -78.2 -21.5 -1.1 -7.1 37.7 162 183 A E S S+ 0 0 75 -6,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.990 71.1 171.9-156.7 146.7 -1.6 -3.7 36.2 163 184 A F B -K 143 0F 5 -20,-1.3 -20,-2.8 -2,-0.3 2,-0.2 -0.988 36.7 -93.2-155.6 154.8 0.6 -0.7 35.3 164 185 A H - 0 0 78 -2,-0.3 4,-0.4 -22,-0.2 -22,-0.1 -0.472 29.2-139.0 -72.1 145.3 0.6 2.6 33.6 165 186 A A S >> S+ 0 0 0 -24,-0.3 4,-1.5 -2,-0.2 3,-0.8 0.905 90.2 60.6 -71.8 -45.5 1.7 2.7 29.9 166 187 A E H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.889 100.7 49.7 -56.6 -50.6 3.9 5.8 29.9 167 188 A P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.711 107.0 57.5 -66.3 -18.7 6.6 4.9 32.4 168 189 A V H <> S+ 0 0 11 -3,-0.8 4,-2.0 -4,-0.4 -2,-0.2 0.907 108.5 44.8 -75.5 -44.3 7.2 1.6 30.7 169 190 A D H X S+ 0 0 0 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.2 0.874 112.9 52.2 -62.6 -39.0 8.0 3.3 27.4 170 191 A V H X S+ 0 0 6 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.933 108.3 51.6 -61.6 -45.7 10.2 5.8 29.3 171 192 A W H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.925 107.8 50.0 -57.8 -49.3 12.1 2.9 30.9 172 193 A S H X S+ 0 0 6 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.808 107.0 56.9 -62.3 -29.0 12.8 1.2 27.6 173 194 A C H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.866 104.9 51.7 -67.3 -36.8 14.0 4.6 26.3 174 195 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.894 107.0 51.7 -65.9 -42.1 16.6 4.6 29.2 175 196 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 109.6 51.3 -56.2 -39.3 17.8 1.1 28.3 176 197 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.909 108.6 50.6 -66.9 -40.6 18.3 2.4 24.7 177 198 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.893 109.3 51.2 -62.0 -38.6 20.2 5.3 26.0 178 199 A T H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 6,-0.4 0.918 110.8 48.6 -63.1 -42.9 22.4 2.9 28.0 179 200 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.866 109.5 52.8 -65.5 -37.9 23.0 0.8 24.9 180 201 A M H < S+ 0 0 1 -4,-2.2 -99,-1.0 1,-0.2 -1,-0.2 0.822 117.4 36.4 -67.5 -32.9 23.9 3.9 22.9 181 202 A L H < S+ 0 0 15 -4,-1.5 -1,-0.2 -101,-0.3 -2,-0.2 0.562 131.3 25.8-101.1 -8.8 26.6 5.1 25.4 182 203 A A H < S- 0 0 0 -4,-1.4 -102,-0.3 2,-0.2 -3,-0.2 0.482 90.5-129.4-129.4 -13.7 28.0 1.7 26.5 183 204 A G S < S+ 0 0 13 -4,-1.8 -105,-2.3 -5,-0.3 2,-0.3 0.714 79.2 79.4 67.6 22.1 27.4 -0.6 23.6 184 205 A E S S- 0 0 56 -6,-0.4 -2,-0.2 -107,-0.2 -1,-0.2 -0.991 80.0-111.0-155.9 154.1 25.9 -3.2 26.0 185 206 A L - 0 0 62 -2,-0.3 3,-0.1 1,-0.1 -9,-0.1 -0.692 23.0-140.4 -87.9 138.1 22.6 -4.1 27.8 186 207 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.868 75.0 5.9 -69.5 -38.8 22.7 -3.8 31.6 187 208 A W - 0 0 6 -36,-0.2 7,-0.0 1,-0.1 0, 0.0 -0.986 58.9-125.1-146.3 155.4 20.6 -6.8 32.5 188 209 A D S S- 0 0 116 -2,-0.3 -36,-0.1 1,-0.3 -1,-0.1 0.873 99.3 -13.6 -64.3 -40.4 18.9 -9.8 31.0 189 210 A Q S S- 0 0 65 2,-0.1 2,-1.8 -38,-0.1 -1,-0.3 -0.973 75.9 -98.3-157.4 159.4 15.7 -8.7 32.7 190 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.528 75.8 122.2 -84.7 74.3 14.6 -6.2 35.3 191 212 A S > - 0 0 15 -2,-1.8 3,-0.7 1,-0.1 6,-0.3 -0.970 69.3-124.7-137.5 153.2 14.3 -8.6 38.3 192 213 A D T 3 S+ 0 0 78 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.805 109.0 64.1 -62.2 -34.1 15.8 -8.9 41.8 193 214 A S T 3 S+ 0 0 108 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.873 86.5 88.5 -59.7 -37.0 17.0 -12.4 41.0 194 215 A C S <> S- 0 0 14 -3,-0.7 4,-1.3 1,-0.1 5,-0.1 -0.445 71.7-150.2 -64.2 132.3 19.3 -10.9 38.4 195 216 A Q H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 94.3 54.0 -68.1 -47.0 22.7 -9.9 39.8 196 217 A E H > S+ 0 0 93 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.803 109.7 47.4 -60.8 -34.4 23.2 -7.0 37.4 197 218 A Y H > S+ 0 0 1 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.845 110.5 51.0 -76.3 -34.1 19.9 -5.4 38.3 198 219 A S H X S+ 0 0 21 -4,-1.3 4,-1.3 -7,-0.2 -2,-0.2 0.881 107.1 56.1 -68.3 -39.2 20.4 -5.7 42.0 199 220 A D H <>S+ 0 0 19 -4,-2.3 5,-3.1 2,-0.2 -1,-0.2 0.785 107.6 47.6 -62.0 -33.0 23.8 -4.1 41.6 200 221 A W H ><5S+ 0 0 9 -4,-0.9 3,-2.6 3,-0.2 -1,-0.2 0.924 108.4 53.3 -75.9 -45.9 22.2 -1.1 39.9 201 222 A K H 3<5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.780 109.5 51.5 -57.7 -27.3 19.6 -0.8 42.6 202 223 A E T 3<5S- 0 0 113 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.309 117.8-117.7 -93.9 10.6 22.5 -0.7 45.0 203 224 A K T < 5 + 0 0 140 -3,-2.6 2,-1.9 1,-0.2 -3,-0.2 0.782 55.6 158.2 62.3 32.0 24.2 2.0 43.0 204 225 A K > < + 0 0 50 -5,-3.1 3,-0.8 1,-0.2 -1,-0.2 -0.574 7.2 154.7 -85.4 77.0 27.3 0.1 42.1 205 226 A T T 3 + 0 0 43 -2,-1.9 -1,-0.2 1,-0.2 -5,-0.1 0.475 53.0 83.4 -85.5 -3.4 28.0 2.3 39.1 206 227 A Y T 3 S+ 0 0 152 -3,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.346 84.7 77.1 -79.8 4.7 31.7 1.5 39.2 207 228 A L S <> S- 0 0 61 -3,-0.8 4,-1.5 1,-0.1 3,-0.3 -0.739 92.1 -52.2-105.1 162.0 30.8 -1.6 37.2 208 229 A N T 4 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.409 115.0 22.0 -58.8 147.8 29.9 -2.0 33.5 209 230 A P T >4 S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.988 126.4 48.9 -82.5 -13.6 28.0 -0.6 31.7 210 231 A W G >4 S+ 0 0 10 -3,-0.3 3,-1.3 1,-0.3 -2,-0.2 0.706 98.4 69.8 -62.6 -24.8 27.8 2.5 34.0 211 232 A K G 3< S+ 0 0 126 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.2 0.835 99.0 50.2 -60.4 -35.8 31.6 2.8 34.3 212 233 A K G < S+ 0 0 72 -3,-1.6 2,-0.5 -5,-0.1 -1,-0.3 0.351 93.5 91.3 -87.5 2.2 31.7 3.9 30.6 213 234 A I S < S- 0 0 13 -3,-1.3 -31,-0.1 -4,-0.1 -35,-0.0 -0.870 78.1-119.7-106.5 129.5 29.1 6.6 30.9 214 235 A D > - 0 0 76 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.189 30.9-110.9 -59.5 161.3 29.9 10.2 31.6 215 236 A S H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.818 110.8 59.9 -73.1 -32.7 28.2 11.5 34.8 216 237 A A H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 27,-0.4 0.951 114.3 35.5 -60.1 -50.9 25.8 14.0 33.1 217 238 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.838 115.6 56.8 -72.1 -31.2 24.0 11.2 31.1 218 239 A L H X S+ 0 0 20 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.864 101.5 56.2 -65.9 -38.5 24.4 8.7 34.0 219 240 A A H X S+ 0 0 41 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.888 108.6 48.2 -58.5 -43.5 22.6 11.1 36.4 220 241 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.880 108.7 52.3 -61.4 -42.9 19.7 11.0 33.9 221 242 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.908 104.9 57.6 -63.1 -37.1 19.9 7.2 33.8 222 243 A H H < S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 110.3 43.3 -52.7 -41.6 19.7 7.4 37.6 223 244 A K H < S+ 0 0 85 -4,-1.4 10,-2.3 1,-0.1 3,-0.3 0.752 119.3 42.3 -78.4 -23.9 16.4 9.3 37.2 224 245 A I H < S+ 0 0 0 -4,-1.9 2,-1.6 1,-0.2 -2,-0.2 0.865 105.4 59.4 -89.2 -42.0 15.0 7.0 34.4 225 246 A L S < S+ 0 0 4 -4,-3.2 2,-0.5 -5,-0.2 -1,-0.2 -0.347 73.3 138.9 -90.5 58.3 16.0 3.6 35.7 226 247 A V - 0 0 36 -2,-1.6 6,-0.2 -3,-0.3 5,-0.1 -0.889 51.5-141.2-104.5 126.4 14.0 4.0 38.9 227 248 A E S S+ 0 0 57 -2,-0.5 -71,-0.2 1,-0.1 -1,-0.1 0.849 85.1 74.7 -62.5 -38.0 12.1 0.9 40.1 228 249 A N S >> S- 0 0 80 1,-0.2 3,-2.2 -73,-0.1 4,-2.0 -0.673 74.3-150.8 -79.2 108.8 9.0 2.6 41.3 229 250 A P T 34 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.710 96.4 53.7 -56.6 -19.5 7.1 3.7 38.1 230 251 A S T 34 S+ 0 0 100 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.0 0.654 110.1 44.4 -84.9 -23.8 5.7 6.7 40.1 231 252 A A T <4 S+ 0 0 67 -3,-2.2 -1,-0.2 -5,-0.1 3,-0.1 0.709 92.4 107.3 -89.1 -23.3 9.1 7.9 41.3 232 253 A R S < S- 0 0 8 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.213 82.5 -99.4 -59.1 139.5 10.5 7.4 37.7 233 254 A I - 0 0 19 -10,-2.3 2,-0.2 -13,-0.1 -1,-0.1 -0.236 35.7-137.3 -61.1 143.8 11.2 10.6 35.8 234 255 A T > - 0 0 71 -3,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.636 24.3-104.4-100.3 167.7 8.6 11.7 33.2 235 256 A I H > S+ 0 0 13 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.816 119.0 55.9 -64.7 -35.3 9.2 13.0 29.7 236 257 A P H > S+ 0 0 88 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.927 112.3 45.8 -61.8 -41.5 8.5 16.6 30.5 237 258 A D H 4 S+ 0 0 79 -3,-0.3 3,-0.4 1,-0.2 -2,-0.2 0.790 104.6 60.6 -65.6 -35.7 11.1 16.3 33.3 238 259 A I H >< S+ 0 0 1 -4,-1.6 3,-1.4 1,-0.2 6,-0.2 0.878 99.7 57.4 -61.7 -38.1 13.6 14.6 30.9 239 260 A K H 3< S+ 0 0 79 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.1 49.0 -61.6 -33.5 13.5 17.6 28.7 240 261 A K T 3< S+ 0 0 162 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.384 86.2 122.3 -87.9 1.5 14.6 19.8 31.7 241 262 A D <> - 0 0 4 -3,-1.4 4,-1.1 -4,-0.2 5,-0.1 -0.343 68.5-127.3 -64.1 144.3 17.4 17.3 32.5 242 263 A R T 4 S+ 0 0 155 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.903 107.0 43.7 -63.4 -44.6 20.9 18.8 32.5 243 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.890 108.0 60.7 -65.6 -39.8 22.6 16.4 30.1 244 265 A Y T 34 S+ 0 0 16 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.775 111.5 38.9 -60.0 -27.9 19.6 16.5 27.8 245 266 A N T 3< S+ 0 0 108 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.107 90.2 120.4-110.4 20.7 20.1 20.3 27.3 246 267 A K < - 0 0 70 -3,-1.8 2,-0.4 -5,-0.1 -3,-0.0 -0.725 67.9-120.3 -89.2 129.5 23.9 20.1 27.1 247 268 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.575 38.1-166.8 -70.9 123.7 25.6 21.3 24.0 248 269 A L 0 0 50 -2,-0.4 0, 0.0 -164,-0.1 0, 0.0 -0.891 360.0 360.0-122.3 147.2 27.6 18.5 22.5 249 270 A K 0 0 234 -2,-0.3 -1,-0.1 0, 0.0 -164,-0.0 0.514 360.0 360.0 -76.4 360.0 30.3 18.1 19.8