==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-11 2YM8 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.READER,T.P.MATTHEWS,S.KLAIR,K.M.J.CHEUNG,J.SCANLON,N.PRO . 246 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 69.5 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 . 43 17.5 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 . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 26.8 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 1 1 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 1 0 4 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 8 A D 0 0 126 0, 0.0 17,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.7 6.9 -0.2 -7.5 2 9 A W E -A 17 0A 84 15,-0.2 2,-0.5 16,-0.1 15,-0.2 -0.977 360.0-141.5-120.0 131.1 9.5 -0.9 -4.8 3 10 A D E -A 16 0A 92 13,-2.7 13,-2.0 -2,-0.4 2,-1.1 -0.796 16.9-131.0 -90.2 127.7 12.4 -3.4 -5.2 4 11 A L E +A 15 0A 87 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.683 34.3 173.6 -77.7 102.3 13.2 -5.4 -2.1 5 12 A V E - 0 0 84 9,-2.3 2,-0.3 -2,-1.1 -1,-0.2 0.909 51.6 -17.3 -83.0 -46.2 17.0 -4.9 -2.1 6 13 A Q E -A 14 0A 107 8,-0.9 8,-3.5 0, 0.0 2,-0.4 -0.992 65.4 -93.5-164.2 156.6 18.2 -6.5 1.2 7 14 A T E +A 13 0A 82 -2,-0.3 6,-0.3 6,-0.2 -3,-0.0 -0.568 31.1 175.8 -78.9 124.7 17.2 -7.8 4.6 8 15 A L 0 0 70 4,-2.3 5,-0.2 -2,-0.4 -1,-0.2 0.838 360.0 360.0 -95.7 -41.0 17.6 -5.2 7.4 9 16 A G 0 0 65 3,-1.8 3,-3.1 0, 0.0 -1,-0.3 -0.967 360.0 360.0-161.4 360.0 16.2 -7.1 10.4 10 ! 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 11 22 A E 0 0 110 0, 0.0 17,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 178.9 11.2 -9.6 8.8 12 23 A V E - B 0 27A 34 -3,-3.1 -4,-2.3 15,-0.2 -3,-1.8 -1.000 360.0-173.8-129.8 132.2 12.1 -6.1 7.7 13 24 A Q E -AB 7 26A 32 13,-2.5 13,-2.8 -2,-0.4 2,-0.5 -0.964 29.1-112.4-131.3 145.0 13.6 -5.4 4.3 14 25 A L E -AB 6 25A 13 -8,-3.5 -9,-2.3 -2,-0.4 -8,-0.9 -0.620 35.8-167.3 -72.2 121.5 15.1 -2.4 2.5 15 26 A A E -AB 4 24A 0 9,-3.3 9,-2.6 -2,-0.5 2,-0.4 -0.888 3.3-160.5-110.8 145.7 12.8 -1.4 -0.3 16 27 A V E -AB 3 23A 36 -13,-2.0 -13,-2.7 -2,-0.4 7,-0.2 -0.990 23.8-114.3-130.9 129.8 13.8 1.1 -3.0 17 28 A N E > -A 2 0A 22 5,-3.6 4,-1.5 -2,-0.4 -15,-0.2 -0.420 17.1-146.4 -65.8 126.9 11.6 3.0 -5.4 18 29 A R T 4 S+ 0 0 167 -17,-2.6 -1,-0.2 -2,-0.2 -16,-0.1 0.771 95.6 30.4 -64.1 -28.9 12.0 1.9 -9.0 19 30 A V T 4 S+ 0 0 118 -18,-0.4 -1,-0.2 3,-0.1 -17,-0.1 0.891 133.8 24.2 -96.0 -52.3 11.3 5.4 -10.3 20 31 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.612 90.5-132.3 -94.7 -16.1 12.5 7.9 -7.7 21 32 A E < + 0 0 157 -4,-1.5 2,-0.1 1,-0.2 -3,-0.1 0.643 49.2 158.7 67.8 15.9 15.1 5.6 -5.9 22 33 A E - 0 0 114 -6,-0.1 -5,-3.6 1,-0.0 2,-0.4 -0.458 33.0-137.5 -65.9 141.8 13.6 6.6 -2.6 23 34 A A E +B 16 0A 35 -7,-0.2 42,-0.6 -2,-0.1 2,-0.3 -0.875 27.5 167.1-107.5 136.4 14.4 4.1 0.1 24 35 A V E -BC 15 64A 9 -9,-2.6 -9,-3.3 -2,-0.4 2,-0.6 -0.949 35.0-117.3-137.2 162.1 12.0 2.8 2.8 25 36 A A E -BC 14 63A 9 38,-3.4 38,-3.5 -2,-0.3 2,-0.6 -0.900 27.2-157.6-100.0 121.6 12.0 -0.0 5.3 26 37 A V E -BC 13 62A 8 -13,-2.8 -13,-2.5 -2,-0.6 2,-0.6 -0.887 3.2-151.6-105.2 122.0 9.2 -2.5 4.7 27 38 A K E -BC 12 61A 31 34,-3.1 34,-2.4 -2,-0.6 2,-0.6 -0.818 9.1-159.8 -95.5 119.2 8.0 -4.6 7.7 28 39 A I E C 0 60A 33 -17,-3.0 32,-0.2 -2,-0.6 -2,-0.0 -0.878 360.0 360.0-104.0 118.8 6.6 -8.0 6.7 29 40 A V 0 0 86 30,-2.8 30,-2.9 -2,-0.6 -2,-0.0 -0.922 360.0 360.0-119.4 360.0 4.4 -9.8 9.2 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 0 135 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.3 -0.5 -7.0 18.2 32 52 A I H > + 0 0 36 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.808 360.0 58.8 -69.5 -29.2 0.4 -6.0 14.6 33 53 A K H > S+ 0 0 164 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 106.3 46.5 -69.0 -34.6 -2.9 -4.1 14.6 34 54 A K H > S+ 0 0 93 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.852 107.9 55.8 -76.1 -35.1 -1.8 -2.0 17.6 35 55 A E H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.898 111.8 44.5 -63.0 -40.3 1.6 -1.3 16.1 36 56 A I H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.958 114.5 48.3 -66.1 -51.6 -0.1 0.1 13.0 37 57 A C H X S+ 0 0 78 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.939 113.7 46.7 -54.2 -51.2 -2.6 2.1 15.1 38 58 A I H >X S+ 0 0 4 -4,-3.4 3,-1.0 1,-0.2 4,-0.7 0.920 109.9 53.7 -59.3 -44.0 0.1 3.5 17.3 39 59 A N H >< S+ 0 0 4 -4,-2.2 3,-1.3 1,-0.3 11,-0.2 0.879 101.2 60.4 -57.7 -39.4 2.3 4.4 14.3 40 60 A K H 3< S+ 0 0 132 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.792 103.3 51.9 -58.5 -29.7 -0.6 6.3 12.8 41 61 A M H << S+ 0 0 87 -3,-1.0 2,-0.3 -4,-0.9 -1,-0.3 0.691 93.7 96.8 -77.9 -19.3 -0.6 8.6 15.8 42 62 A L << + 0 0 18 -3,-1.3 8,-0.4 -4,-0.7 2,-0.2 -0.572 32.5 149.2 -90.0 130.8 3.2 9.3 15.6 43 63 A N + 0 0 121 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.654 26.7 120.1-154.6 95.6 4.8 12.3 13.9 44 64 A H > - 0 0 28 3,-0.3 3,-1.7 -2,-0.2 52,-0.0 -0.985 63.9-119.5-158.0 146.8 8.1 13.6 15.3 45 65 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.635 113.7 50.5 -68.6 -13.3 11.6 14.1 14.0 46 66 A N T 3 S+ 0 0 13 78,-0.1 79,-2.3 49,-0.1 2,-0.4 -0.001 98.5 79.3-111.9 28.4 13.0 11.6 16.6 47 67 A V B < S-e 125 0B 1 -3,-1.7 -3,-0.3 77,-0.3 79,-0.2 -0.999 93.7 -99.7-134.6 130.8 10.6 8.8 15.8 48 68 A V - 0 0 7 77,-2.4 -2,-0.1 -2,-0.4 -6,-0.1 -0.248 48.8-113.8 -47.9 121.4 10.8 6.4 12.9 49 69 A K - 0 0 74 -4,-0.1 15,-2.3 14,-0.1 2,-0.5 -0.318 21.7-146.4 -66.1 139.5 8.4 7.8 10.2 50 70 A F E +D 63 0A 38 -8,-0.4 13,-0.2 -11,-0.2 3,-0.1 -0.942 18.0 177.5-108.5 123.2 5.4 5.7 9.4 51 71 A Y E - 0 0 122 11,-3.5 2,-0.3 -2,-0.5 12,-0.2 0.730 52.5 -80.9 -97.1 -26.9 4.3 5.9 5.7 52 72 A G E -D 62 0A 19 10,-0.9 10,-3.2 2,-0.0 -1,-0.4 -0.906 39.4-109.0 148.8-176.0 1.3 3.5 5.7 53 73 A H E -D 61 0A 75 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.932 11.9-157.8-145.8 166.3 0.4 -0.2 5.5 54 74 A R E -D 60 0A 164 6,-1.9 6,-2.6 -2,-0.3 2,-0.6 -0.986 12.2-143.0-149.0 139.9 -1.1 -2.9 3.2 55 75 A R E D 59 0A 218 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.909 360.0 360.0-108.1 115.0 -2.7 -6.3 3.9 56 76 A E 0 0 164 2,-2.4 -2,-0.0 -2,-0.6 0, 0.0 -0.899 360.0 360.0-108.5 360.0 -2.0 -9.0 1.4 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 0 115 0, 0.0 -2,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 112.4 0.8 -11.1 5.4 59 80 A Q E - D 0 55A 29 -30,-2.9 -30,-2.8 -4,-0.2 2,-0.5 -0.683 360.0-152.6 -96.6 145.6 0.8 -7.5 6.6 60 81 A Y E -CD 28 54A 50 -6,-2.6 -6,-1.9 -2,-0.3 2,-0.5 -0.963 6.3-167.7-123.7 120.7 3.2 -4.8 5.3 61 82 A L E -CD 27 53A 0 -34,-2.4 -34,-3.1 -2,-0.5 2,-0.8 -0.913 12.9-147.1-107.7 131.7 4.3 -1.7 7.2 62 83 A F E +CD 26 52A 29 -10,-3.2 -11,-3.5 -2,-0.5 -10,-0.9 -0.853 30.8 169.4-100.7 108.3 6.1 1.1 5.4 63 84 A L E -CD 25 50A 18 -38,-3.5 -38,-3.4 -2,-0.8 -13,-0.2 -0.786 38.9 -81.6-122.3 159.6 8.6 2.7 7.7 64 85 A E E -C 24 0A 19 -15,-2.3 2,-0.6 -2,-0.3 -40,-0.2 -0.289 37.1-132.1 -58.9 134.5 11.5 5.2 7.5 65 86 A Y - 0 0 67 -42,-0.6 2,-0.8 -50,-0.1 -42,-0.1 -0.829 17.3-162.7 -87.6 122.6 14.8 3.9 6.2 66 87 A C > - 0 0 11 -2,-0.6 3,-2.4 52,-0.1 51,-0.4 -0.801 4.7-170.8-110.7 89.4 17.5 5.2 8.6 67 88 A S T 3 S+ 0 0 58 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.566 76.5 74.8 -62.4 -9.6 20.7 4.7 6.6 68 89 A G T 3 S- 0 0 17 49,-2.3 -1,-0.3 1,-0.2 50,-0.2 0.651 94.2-144.0 -76.0 -15.6 22.8 5.5 9.7 69 90 A G E < -F 117 0B 32 -3,-2.4 48,-2.2 48,-0.7 2,-0.3 -0.457 39.5 -24.5 87.1-160.0 22.1 2.1 11.2 70 91 A E E > -F 116 0B 72 46,-0.2 3,-1.6 -2,-0.1 46,-0.2 -0.685 47.2-130.1 -93.6 144.2 21.5 1.2 14.8 71 92 A L G > S+ 0 0 0 44,-3.0 3,-2.7 41,-0.8 4,-0.4 0.844 105.3 74.4 -55.0 -34.7 22.9 3.2 17.7 72 93 A F G > S+ 0 0 97 40,-0.9 3,-0.8 43,-0.3 -1,-0.3 0.797 91.1 54.4 -49.3 -34.3 24.2 -0.1 19.0 73 94 A D G < S+ 0 0 118 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.405 98.5 61.5 -87.7 2.5 26.9 -0.0 16.4 74 95 A R G < S+ 0 0 87 -3,-2.7 2,-0.7 -4,-0.2 -1,-0.2 0.398 86.4 90.1-100.4 -2.6 28.2 3.4 17.4 75 96 A I S < S- 0 0 26 -3,-0.8 6,-0.2 -4,-0.4 105,-0.1 -0.861 71.7-146.9 -98.4 114.6 29.0 2.0 20.9 76 97 A E B >> -H 80 0C 116 4,-2.8 4,-3.1 -2,-0.7 3,-2.7 -0.723 32.4-102.9 -83.2 121.7 32.5 0.6 21.1 77 98 A P T 34 S- 0 0 106 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.118 101.6 -2.4 -45.3 129.6 32.7 -2.4 23.5 78 99 A D T 34 S+ 0 0 95 105,-3.5 105,-0.2 1,-0.2 106,-0.1 0.363 135.0 60.2 68.3 -4.6 34.2 -1.4 26.8 79 100 A I T <4 S- 0 0 95 -3,-2.7 2,-0.6 104,-0.2 104,-0.2 0.745 75.7-166.1-114.6 -51.8 34.8 2.2 25.5 80 101 A G B < -H 76 0C 2 -4,-3.1 -4,-2.8 102,-0.3 101,-0.2 -0.875 38.7 -67.5 99.5-124.2 31.5 3.7 24.6 81 102 A M - 0 0 20 99,-1.1 5,-0.1 -2,-0.6 -6,-0.1 -0.966 62.4 -59.9-158.9 166.3 31.7 6.9 22.5 82 103 A P >> - 0 0 78 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.310 50.1-124.8 -54.6 133.8 32.8 10.5 22.8 83 104 A E H 3> S+ 0 0 44 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.824 108.4 56.5 -51.2 -40.4 30.8 12.2 25.5 84 105 A P H 3> S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.868 109.0 47.0 -62.5 -36.8 29.6 15.0 23.2 85 106 A D H <> S+ 0 0 65 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.895 111.7 50.7 -69.5 -40.8 28.2 12.4 20.8 86 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.1 50.5 -60.3 -41.3 26.5 10.6 23.7 87 108 A Q H X S+ 0 0 15 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.911 110.1 49.4 -65.4 -41.8 25.0 13.8 24.9 88 109 A R H X S+ 0 0 77 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.917 112.8 46.4 -63.4 -45.8 23.6 14.7 21.5 89 110 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.874 112.5 51.8 -64.1 -38.1 22.1 11.2 21.1 90 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.885 107.4 52.1 -67.4 -39.3 20.7 11.5 24.6 91 112 A H H X S+ 0 0 57 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 112.8 44.9 -57.2 -47.7 19.1 14.9 23.9 92 113 A Q H X S+ 0 0 31 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.880 110.7 53.5 -70.1 -36.4 17.4 13.5 20.8 93 114 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.918 109.9 48.5 -59.3 -45.6 16.3 10.4 22.7 94 115 A M H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.897 108.0 54.6 -63.1 -41.3 14.7 12.6 25.3 95 116 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.939 112.6 43.5 -56.1 -47.5 13.0 14.7 22.6 96 117 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 116.0 46.4 -64.6 -46.2 11.5 11.5 21.2 97 118 A V H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.908 110.7 53.3 -64.9 -42.9 10.5 10.1 24.6 98 119 A V H X S+ 0 0 51 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.925 109.7 49.4 -53.3 -48.7 9.0 13.4 25.7 99 120 A Y H X S+ 0 0 49 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.959 111.2 48.2 -56.6 -54.6 6.9 13.4 22.5 100 121 A L H ><>S+ 0 0 1 -4,-2.5 5,-3.0 1,-0.2 3,-0.7 0.934 113.9 45.4 -52.9 -52.7 5.6 9.9 23.1 101 122 A H H ><5S+ 0 0 7 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.883 106.4 62.1 -61.8 -35.6 4.8 10.5 26.7 102 123 A G H 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.6 41.1 -58.2 -34.9 3.1 13.8 25.7 103 124 A I T <<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.193 124.4-103.3 -99.9 15.3 0.6 11.9 23.5 104 125 A G T < 5S+ 0 0 1 -3,-1.8 30,-2.6 1,-0.2 31,-1.3 0.700 77.5 133.4 77.0 21.6 0.2 9.2 26.2 105 126 A I E < -I 133 0D 0 -5,-3.0 2,-0.5 28,-0.2 -1,-0.2 -0.890 37.7-162.5-107.6 133.3 2.3 6.5 24.5 106 127 A T E -I 132 0D 1 26,-2.7 26,-1.9 -2,-0.4 60,-0.1 -0.950 8.4-158.0-111.8 134.7 5.0 4.4 26.2 107 128 A H - 0 0 0 -2,-0.5 23,-0.2 24,-0.2 -1,-0.1 0.935 14.5-167.0 -74.9 -49.1 7.5 2.6 24.1 108 129 A R S S+ 0 0 32 57,-0.1 41,-0.2 23,-0.1 -1,-0.1 0.251 70.0 61.7 83.3 -9.5 8.4 -0.0 26.7 109 130 A D + 0 0 21 39,-0.1 2,-0.4 18,-0.1 5,-0.1 -0.207 61.0 164.2-141.8 49.0 11.6 -1.4 25.0 110 131 A I + 0 0 1 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.567 21.8 127.2 -72.2 121.4 14.1 1.5 24.8 111 132 A K S > S- 0 0 35 -2,-0.4 3,-1.9 64,-0.1 4,-0.2 -0.949 72.6 -90.9-166.1 163.3 17.6 0.1 24.0 112 133 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 -40,-0.9 0.826 120.5 61.3 -56.3 -36.0 20.3 0.8 21.4 113 134 A E G 3 S+ 0 0 61 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.774 107.3 46.6 -58.1 -27.9 19.0 -1.9 19.0 114 135 A N G < S+ 0 0 15 -3,-1.9 12,-3.0 -5,-0.1 2,-0.6 0.257 94.6 86.3-102.0 10.6 15.7 0.1 18.8 115 136 A L E < - G 0 125B 1 -3,-1.7 -44,-3.0 10,-0.2 -43,-0.3 -0.940 63.7-167.9-113.7 110.2 17.4 3.5 18.3 116 137 A L E -FG 70 124B 31 8,-2.9 8,-2.5 -2,-0.6 2,-0.4 -0.508 12.3-140.4 -97.7 165.1 18.1 4.2 14.6 117 138 A L E -FG 69 123B 0 -48,-2.2 -49,-2.3 -51,-0.4 -48,-0.7 -0.989 11.3-147.6-126.9 129.6 20.2 6.9 13.0 118 139 A D > - 0 0 6 4,-2.0 3,-2.4 -2,-0.4 -52,-0.1 -0.163 47.0 -78.0 -82.3-173.7 19.3 8.7 9.7 119 140 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -53,-0.1 0.741 135.5 47.4 -61.1 -25.1 21.8 9.9 7.2 120 141 A R T 3 S- 0 0 196 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.266 121.1-107.8 -96.2 10.2 22.6 12.9 9.4 121 142 A D < + 0 0 51 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.748 64.8 157.8 65.8 24.5 23.0 10.7 12.5 122 143 A N - 0 0 44 1,-0.1 -4,-2.0 -30,-0.0 -1,-0.3 -0.694 43.3-119.6 -76.4 130.4 19.7 12.0 13.9 123 144 A L E - G 0 117B 1 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.468 31.0-172.8 -75.2 141.1 18.4 9.5 16.4 124 145 A K E - G 0 116B 13 -8,-2.5 -8,-2.9 -2,-0.2 2,-0.4 -0.990 23.4-126.9-138.8 126.9 15.0 7.9 15.8 125 146 A I E -eG 47 115B 1 -79,-2.3 -77,-2.4 -2,-0.4 2,-0.3 -0.575 36.3-169.9 -74.5 128.0 13.0 5.7 18.1 126 147 A S + 0 0 24 -12,-3.0 -12,-0.0 -2,-0.4 -77,-0.0 -0.765 40.5 38.1-119.8 160.7 12.0 2.5 16.3 127 148 A D - 0 0 66 -2,-0.3 3,-0.4 1,-0.1 -1,-0.2 0.979 40.6-175.5 69.4 92.7 9.7 -0.6 16.8 128 149 A F + 0 0 4 1,-0.2 3,-0.2 2,-0.1 -90,-0.1 0.005 50.8 114.8-106.2 26.8 6.4 0.1 18.5 129 150 A G S S+ 0 0 10 1,-0.2 -1,-0.2 -94,-0.1 -94,-0.1 0.710 87.0 35.6 -68.0 -21.8 5.4 -3.5 18.7 130 151 A L S S+ 0 0 70 -3,-0.4 -1,-0.2 -23,-0.2 -2,-0.1 0.473 94.9 114.6-107.4 -5.5 5.5 -3.4 22.5 131 152 A A + 0 0 1 -3,-0.2 2,-0.3 -22,-0.1 -24,-0.2 -0.174 40.5 177.2 -66.7 157.1 4.2 0.2 22.8 132 153 A T E -I 106 0D 24 -26,-1.9 -26,-2.7 -94,-0.0 2,-0.5 -0.990 35.9 -94.7-156.2 161.7 0.9 1.0 24.5 133 154 A V E +I 105 0D 42 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.685 37.2 167.3 -78.1 122.0 -1.4 3.8 25.6 134 155 A F + 0 0 0 -30,-2.6 7,-3.3 -2,-0.5 2,-0.4 0.521 68.6 42.8-111.0 -13.0 -0.8 4.7 29.2 135 156 A R E +J 140 0E 65 -31,-1.3 2,-0.3 5,-0.2 -1,-0.3 -0.990 63.2 162.5-135.9 129.8 -2.7 8.0 29.2 136 157 A Y E > S+J 139 0E 138 3,-2.2 3,-1.9 -2,-0.4 -32,-0.1 -0.993 70.8 2.2-148.2 135.5 -6.1 8.5 27.6 137 158 A N T 3 S- 0 0 139 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.877 129.9 -62.9 50.6 38.2 -8.7 11.3 28.1 138 159 A N T 3 S+ 0 0 149 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.687 113.0 120.7 62.9 20.9 -6.2 12.7 30.5 139 160 A R E < -J 136 0E 194 -3,-1.9 -3,-2.2 2,-0.0 2,-0.3 -0.970 57.9-136.3-119.3 125.9 -6.5 9.6 32.7 140 161 A E E -J 135 0E 72 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.566 11.4-156.3 -81.6 138.6 -3.4 7.5 33.5 141 162 A R - 0 0 131 -7,-3.3 24,-0.3 -2,-0.3 2,-0.1 -0.969 15.1-132.7-112.0 128.9 -3.6 3.8 33.4 142 163 A L - 0 0 71 -2,-0.5 2,-0.3 22,-0.1 22,-0.2 -0.442 21.9-130.1 -71.3 152.1 -1.0 1.8 35.4 143 164 A L B +K 163 0F 15 20,-2.6 20,-2.1 -2,-0.1 -1,-0.1 -0.713 30.2 169.3-103.1 157.7 0.7 -1.1 33.6 144 165 A N + 0 0 83 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.389 46.0 102.0-143.8 -8.3 1.0 -4.7 34.8 145 166 A K - 0 0 141 1,-0.0 2,-0.5 2,-0.0 -2,-0.0 -0.699 68.5-130.3 -83.5 133.5 2.3 -6.7 31.9 146 167 A M + 0 0 132 -2,-0.4 2,-0.3 12,-0.0 12,-0.0 -0.737 47.5 135.8 -84.5 125.7 6.0 -7.5 32.0 147 168 A C + 0 0 36 -2,-0.5 2,-0.3 -39,-0.1 -39,-0.0 -0.974 20.2 70.8-160.5 170.9 7.9 -6.7 28.8 148 169 A G S S- 0 0 28 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.919 85.2 -51.8 118.0-150.4 11.1 -5.1 27.6 149 170 A T >> - 0 0 31 -2,-0.3 3,-2.8 -41,-0.2 4,-1.0 -0.976 46.0-126.5-140.4 119.0 14.7 -6.3 27.8 150 171 A L G >4 S+ 0 0 85 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.713 105.1 48.5 -41.5 -51.9 16.1 -7.4 31.1 151 172 A P G 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.761 120.1 41.5 -63.4 -22.1 19.3 -5.3 31.3 152 173 A Y G <4 S+ 0 0 12 -3,-2.8 -2,-0.2 36,-0.1 23,-0.2 0.557 91.8 104.5 -98.8 -12.5 17.2 -2.2 30.4 153 174 A V S << S- 0 0 9 -4,-1.0 -5,-0.1 -3,-0.7 16,-0.1 -0.438 72.4-114.1 -79.3 147.3 14.1 -2.8 32.4 154 175 A A >> - 0 0 0 -2,-0.1 3,-1.1 1,-0.1 4,-0.5 -0.427 24.6-119.2 -73.9 150.0 13.3 -0.8 35.6 155 176 A P H >> S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-1.1 0.799 107.8 67.0 -62.6 -30.8 13.2 -2.8 38.9 156 177 A E H 3> S+ 0 0 6 1,-0.3 4,-2.7 71,-0.2 3,-0.2 0.816 93.0 62.0 -60.4 -28.3 9.6 -2.0 39.7 157 178 A L H <4 S+ 0 0 7 -3,-1.1 -1,-0.3 1,-0.2 6,-0.0 0.828 110.3 38.9 -68.2 -29.3 8.6 -4.1 36.7 158 179 A L H << S+ 0 0 58 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.621 126.3 36.1 -89.4 -14.8 10.2 -7.1 38.3 159 180 A K H < S+ 0 0 72 -4,-1.1 2,-0.3 -3,-0.2 -2,-0.2 0.628 106.4 60.6-118.7 -18.5 9.0 -6.3 41.8 160 181 A R < - 0 0 174 -4,-2.7 3,-0.1 -5,-0.2 -1,-0.0 -0.853 63.1-140.2-119.5 150.9 5.5 -4.7 41.6 161 182 A R S S+ 0 0 205 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.871 94.5 19.6 -73.4 -38.1 2.2 -5.9 40.3 162 183 A E S S+ 0 0 91 -6,-0.0 2,-0.3 -18,-0.0 -18,-0.2 -0.961 72.8 171.8-131.6 152.3 1.4 -2.5 38.8 163 184 A F B -K 143 0F 11 -20,-2.1 -20,-2.6 -2,-0.3 2,-0.2 -0.993 36.9 -92.8-156.9 157.5 3.6 0.4 37.9 164 185 A H > - 0 0 77 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.529 29.6-141.3 -74.0 139.7 3.7 3.8 36.2 165 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.4 -2,-0.2 3,-1.0 0.936 90.4 56.6 -65.9 -50.4 4.7 3.7 32.5 166 187 A E H 3> S+ 0 0 57 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.894 100.6 53.3 -59.1 -49.3 6.9 6.8 32.3 167 188 A P H 3> S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.789 105.9 58.0 -57.6 -25.1 9.5 6.1 35.0 168 189 A V H S- 0 0 13 -2,-2.4 3,-1.8 1,-0.1 7,-0.3 -0.865 70.5-122.8-120.9 156.4 17.4 -7.2 41.0 192 213 A D T 3 S+ 0 0 92 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.739 111.3 65.3 -67.8 -23.3 18.9 -7.6 44.5 193 214 A S T 3 S+ 0 0 115 1,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.455 86.8 90.2 -74.5 0.3 20.2 -11.0 43.6 194 215 A C X> - 0 0 9 -3,-1.8 4,-2.5 1,-0.2 3,-0.5 -0.878 66.3-159.0-104.9 111.0 22.4 -9.2 41.2 195 216 A Q H 3> S+ 0 0 109 -2,-0.7 4,-3.0 1,-0.3 5,-0.2 0.887 92.1 53.2 -55.4 -46.7 25.7 -8.1 42.7 196 217 A E H 3> S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.859 111.2 48.0 -59.3 -35.0 26.4 -5.4 40.1 197 218 A Y H <> S+ 0 0 1 -3,-0.5 4,-2.1 -6,-0.3 -2,-0.2 0.920 111.3 49.4 -72.3 -42.9 23.0 -3.9 40.9 198 219 A S H X S+ 0 0 24 -4,-2.5 4,-1.7 -7,-0.3 -2,-0.2 0.912 108.1 54.8 -57.8 -45.4 23.6 -4.1 44.7 199 220 A D H <>S+ 0 0 22 -4,-3.0 5,-2.7 1,-0.2 -1,-0.2 0.893 108.3 48.7 -56.1 -43.4 27.0 -2.4 44.3 200 221 A W H ><5S+ 0 0 12 -4,-1.5 3,-1.9 1,-0.2 -1,-0.2 0.901 108.6 52.5 -63.1 -42.7 25.3 0.5 42.5 201 222 A K H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.2 51.0 -65.3 -26.1 22.7 0.8 45.2 202 223 A E T 3<5S- 0 0 118 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.274 116.6-120.6 -91.5 8.7 25.7 0.9 47.6 203 224 A K T < 5 + 0 0 145 -3,-1.9 2,-2.3 1,-0.2 -3,-0.2 0.791 52.4 161.8 60.1 33.2 27.2 3.7 45.5 204 225 A K > < + 0 0 50 -5,-2.7 3,-1.6 1,-0.2 -1,-0.2 -0.390 8.3 155.6 -79.3 63.3 30.4 1.8 44.7 205 226 A T T 3 + 0 0 42 -2,-2.3 -1,-0.2 1,-0.3 -5,-0.1 0.291 55.2 81.0 -80.8 11.6 31.0 4.1 41.8 206 227 A Y T 3 S+ 0 0 152 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.454 86.2 78.3 -86.6 -4.3 34.8 3.4 41.9 207 228 A L S <> S- 0 0 60 -3,-1.6 4,-1.5 1,-0.1 3,-0.2 -0.638 91.1 -59.0 -97.3 158.9 33.8 0.2 40.0 208 229 A N T 4 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.3 -2,-0.1 -0.463 112.3 24.7 -68.6 151.8 33.1 -0.2 36.3 209 230 A P T >4 S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.987 126.1 49.2 -81.7 -11.8 31.1 0.9 34.5 210 231 A W G >4 S+ 0 0 7 1,-0.3 3,-1.5 -3,-0.2 -2,-0.3 0.758 101.0 66.6 -59.2 -28.2 30.7 4.0 36.6 211 232 A K G 3< S+ 0 0 145 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.2 0.780 98.5 52.4 -64.8 -27.7 34.5 4.5 36.9 212 233 A K G < S+ 0 0 67 -3,-1.9 2,-0.5 -5,-0.1 -1,-0.3 0.472 94.6 89.7 -86.7 -2.7 34.7 5.3 33.2 213 234 A I S < S- 0 0 12 -3,-1.5 -31,-0.1 -4,-0.3 -35,-0.0 -0.829 81.6-116.5-105.7 129.0 32.0 7.9 33.4 214 235 A D > - 0 0 73 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.190 30.4-111.4 -57.9 155.0 32.7 11.6 34.1 215 236 A S H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.808 112.1 57.9 -60.9 -34.1 31.2 12.9 37.4 216 237 A A H > S+ 0 0 5 2,-0.2 4,-1.3 1,-0.2 27,-0.4 0.973 113.3 35.4 -63.3 -56.3 28.7 15.2 35.6 217 238 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.867 115.1 59.1 -64.7 -34.1 26.9 12.5 33.6 218 239 A L H X S+ 0 0 19 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.890 100.6 55.5 -60.7 -39.1 27.4 10.2 36.5 219 240 A A H X S+ 0 0 45 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.869 107.8 49.1 -59.7 -39.1 25.4 12.6 38.7 220 241 A L H >X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 3,-0.9 0.933 109.4 51.5 -64.9 -46.2 22.6 12.4 36.1 221 242 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.885 103.1 59.0 -59.0 -39.0 22.8 8.6 36.2 222 243 A H H 3< S+ 0 0 63 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.827 110.4 44.1 -56.7 -30.7 22.5 8.8 40.0 223 244 A K H << S+ 0 0 81 -3,-0.9 10,-2.0 -4,-0.9 3,-0.3 0.778 117.4 42.8 -87.4 -28.0 19.2 10.5 39.5 224 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.7 1,-0.2 -2,-0.2 0.904 106.1 58.2 -82.9 -46.3 17.8 8.3 36.8 225 246 A L S < S+ 0 0 4 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.311 73.2 141.6 -88.4 55.0 18.8 4.9 38.1 226 247 A V - 0 0 42 -2,-1.7 6,-0.2 -3,-0.3 5,-0.1 -0.857 50.6-139.7 -98.2 128.4 16.9 5.3 41.4 227 248 A E S S+ 0 0 65 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.877 86.6 70.4 -59.1 -44.7 15.1 2.1 42.5 228 249 A N S >> S- 0 0 89 1,-0.2 3,-1.7 -73,-0.1 4,-1.1 -0.662 72.0-154.3 -77.9 112.4 11.9 3.8 43.8 229 250 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.760 93.7 58.4 -60.0 -24.7 10.1 5.0 40.6 230 251 A S T 34 S+ 0 0 102 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.1 0.674 111.0 41.0 -79.0 -18.2 8.3 7.7 42.7 231 252 A A T <4 S+ 0 0 65 -3,-1.7 -1,-0.2 -5,-0.1 3,-0.1 0.532 92.8 112.7-100.4 -10.8 11.7 9.2 43.7 232 253 A R S < S- 0 0 9 -4,-1.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.336 79.0 -99.1 -66.5 140.3 13.2 8.7 40.2 233 254 A I - 0 0 21 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.245 37.0-137.7 -58.8 144.4 13.9 11.9 38.3 234 255 A T > - 0 0 76 -3,-0.1 4,-2.2 1,-0.1 3,-0.5 -0.618 24.0-104.5 -99.0 165.3 11.3 12.9 35.7 235 256 A I H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 118.5 56.7 -56.9 -47.9 12.0 14.2 32.2 236 257 A P H 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.878 112.8 44.2 -52.7 -35.4 11.3 17.9 33.0 237 258 A D H >4 S+ 0 0 70 -3,-0.5 3,-1.2 2,-0.2 4,-0.3 0.807 105.2 59.4 -80.8 -31.3 13.9 17.6 35.7 238 259 A I H >< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.916 100.3 60.1 -55.4 -39.0 16.4 15.8 33.5 239 260 A K T 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.674 104.6 48.4 -64.4 -16.9 16.1 18.9 31.3 240 261 A K T < S+ 0 0 152 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.364 85.2 122.1-101.4 0.4 17.4 21.0 34.2 241 262 A D <> - 0 0 4 -3,-1.9 4,-1.2 -4,-0.3 5,-0.1 -0.351 67.0-127.8 -68.3 145.8 20.3 18.6 34.9 242 263 A R T >4 S+ 0 0 198 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.937 107.1 41.5 -62.3 -50.6 23.8 20.1 34.8 243 264 A W G >4 S+ 0 0 0 -27,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.914 109.0 60.0 -64.6 -40.9 25.4 17.7 32.4 244 265 A Y G 34 S+ 0 0 27 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.815 113.6 39.2 -54.8 -28.7 22.3 17.6 30.2 245 266 A N G << S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.355 88.9 119.2-103.9 3.9 22.8 21.4 29.8 246 267 A K < - 0 0 79 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.0 -0.564 66.7-124.7 -78.0 126.1 26.6 21.3 29.5 247 268 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.574 42.9-171.9 -68.6 125.1 28.1 22.6 26.2 248 269 A L 0 0 51 -2,-0.4 -160,-0.0 -164,-0.1 0, 0.0 -0.950 360.0 360.0-133.1 143.6 30.2 19.8 24.8 249 270 A K 0 0 225 -2,-0.4 -166,-0.1 -164,-0.0 -164,-0.0 -1.000 360.0 360.0 149.5 360.0 32.8 18.9 22.1