==== 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 2WMT . 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, . 248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 67.7 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 17.3 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 . 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 . 31 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 26.6 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 3 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 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 0 163 0, 0.0 17,-0.8 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 141.4 3.2 -2.6 -9.7 2 9 A W E -A 17 0A 66 15,-0.2 2,-0.4 16,-0.1 15,-0.2 -0.344 360.0-146.8 -69.1 144.5 5.9 -2.9 -6.9 3 10 A D E -A 16 0A 92 13,-1.7 13,-2.2 -2,-0.1 2,-1.1 -0.947 14.4-130.4-113.6 131.0 8.8 -5.2 -7.2 4 11 A L E -A 15 0A 81 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.676 26.4-179.9 -87.9 99.2 10.3 -6.9 -4.1 5 12 A V E - 0 0 83 9,-2.5 2,-0.3 -2,-1.1 -1,-0.2 0.842 58.0 -22.2 -65.3 -42.7 14.0 -6.3 -4.3 6 13 A Q E -A 14 0A 101 8,-0.7 8,-3.1 0, 0.0 2,-0.5 -0.986 68.1 -88.3-165.5 163.5 15.2 -8.0 -1.1 7 14 A T E -A 13 0A 80 -2,-0.3 6,-0.3 6,-0.3 -3,-0.0 -0.711 27.6-172.3 -83.9 124.3 14.2 -9.2 2.4 8 15 A L 0 0 76 4,-3.8 5,-0.2 -2,-0.5 -1,-0.1 0.583 360.0 360.0 -89.6 -12.0 14.6 -6.5 5.0 9 16 A G 0 0 74 3,-1.4 4,-0.1 0, 0.0 -2,-0.1 -0.246 360.0 360.0 125.3 360.0 13.9 -8.9 7.8 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 0 133 0, 0.0 17,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.9 8.9 -10.9 6.8 12 23 A V E - B 0 27A 30 15,-0.2 -4,-3.8 13,-0.0 -3,-1.4 -0.970 360.0-175.3-120.6 133.2 9.5 -7.4 5.3 13 24 A Q E -AB 7 26A 39 13,-2.3 13,-2.8 -2,-0.4 2,-0.5 -0.895 30.4-108.0-126.4 155.2 10.9 -6.9 1.8 14 25 A L E -AB 6 25A 12 -8,-3.1 -9,-2.5 -2,-0.3 -8,-0.7 -0.744 34.1-163.4 -85.9 124.8 12.0 -3.8 -0.0 15 26 A A E -AB 4 24A 0 9,-2.4 9,-2.7 -2,-0.5 2,-0.4 -0.893 3.7-165.8-109.4 136.7 9.6 -2.9 -2.8 16 27 A V E -AB 3 23A 29 -13,-2.2 -13,-1.7 -2,-0.4 2,-0.6 -0.983 24.4-124.9-123.8 127.5 10.4 -0.4 -5.6 17 28 A N E > -A 2 0A 27 5,-2.7 4,-1.9 -2,-0.4 -15,-0.2 -0.584 16.5-152.7 -67.5 113.4 7.9 1.2 -8.0 18 29 A R T 4 S+ 0 0 74 -17,-0.8 -1,-0.2 -2,-0.6 -16,-0.1 0.635 93.3 43.5 -66.7 -9.5 9.2 0.2 -11.4 19 30 A V T 4 S+ 0 0 118 3,-0.1 -1,-0.1 -18,-0.0 -2,-0.0 0.914 128.7 20.2 -94.1 -70.5 7.5 3.4 -12.7 20 31 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.833 93.7-136.4 -65.7 -38.7 8.2 6.1 -10.2 21 32 A E < + 0 0 136 -4,-1.9 -3,-0.1 1,-0.3 -1,-0.0 0.437 50.3 151.8 89.2 2.9 11.2 4.2 -8.8 22 33 A E - 0 0 128 -6,-0.1 -5,-2.7 1,-0.1 2,-0.4 -0.311 38.2-134.3 -65.8 147.3 10.1 5.1 -5.3 23 34 A A E +B 16 0A 41 -7,-0.2 44,-0.5 -3,-0.1 2,-0.3 -0.831 29.2 163.4-105.7 142.4 11.1 2.7 -2.5 24 35 A V E -B 15 0A 6 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.4 -0.905 35.0-110.2-140.8 176.6 8.8 1.4 0.3 25 36 A A E -BC 14 65A 8 40,-3.1 40,-2.9 -2,-0.3 2,-0.5 -0.930 25.0-156.0-112.7 133.5 8.8 -1.4 2.8 26 37 A V E -BC 13 64A 4 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.5 -0.934 1.8-161.1-114.6 129.4 6.4 -4.3 2.5 27 38 A K E -BC 12 63A 29 36,-1.7 36,-2.0 -2,-0.5 2,-0.6 -0.928 10.1-155.4-108.6 124.5 5.3 -6.4 5.5 28 39 A I E + C 0 62A 35 -17,-2.8 2,-0.4 -2,-0.5 34,-0.2 -0.890 14.5 177.7-108.3 122.0 3.8 -9.7 4.6 29 40 A V E + C 0 61A 52 32,-2.1 32,-2.8 -2,-0.6 2,-0.4 -0.975 5.3 178.0-126.6 125.5 1.5 -11.4 7.1 30 41 A D 0 0 126 -2,-0.4 -2,-0.0 30,-0.2 0, 0.0 -0.987 360.0 360.0-126.1 130.0 -0.4 -14.7 6.6 31 42 A M 0 0 155 -2,-0.4 -1,-0.2 0, 0.0 30,-0.0 0.715 360.0 360.0 -68.2 360.0 -2.6 -16.3 9.3 32 ! 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 33 51 A N > 0 0 126 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.9 -3.5 -8.4 16.0 34 52 A I H > + 0 0 44 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.824 360.0 58.0 -69.6 -29.0 -2.9 -7.5 12.3 35 53 A K H > S+ 0 0 176 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.860 109.8 43.6 -67.2 -35.6 -6.2 -5.6 12.4 36 54 A K H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.842 106.8 59.2 -78.8 -36.3 -5.1 -3.4 15.2 37 55 A E H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.909 111.7 42.6 -58.3 -41.7 -1.6 -2.8 13.7 38 56 A I H X S+ 0 0 22 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.908 113.8 51.4 -69.0 -45.3 -3.3 -1.3 10.7 39 57 A C H X S+ 0 0 80 -4,-1.7 4,-0.9 2,-0.2 3,-0.3 0.975 113.9 43.3 -54.4 -60.9 -5.8 0.6 12.8 40 58 A I H >X S+ 0 0 5 -4,-3.1 3,-1.6 1,-0.2 4,-0.9 0.926 110.8 56.2 -51.4 -49.7 -3.1 2.1 15.0 41 59 A N H >< S+ 0 0 4 -4,-2.3 3,-1.1 -5,-0.3 11,-0.3 0.888 99.1 61.0 -53.3 -41.7 -1.0 2.8 11.9 42 60 A K H 3< S+ 0 0 74 -4,-2.4 -1,-0.3 -3,-0.3 -2,-0.2 0.779 103.2 51.3 -56.1 -29.7 -3.8 4.8 10.3 43 61 A M H << S+ 0 0 86 -3,-1.6 -1,-0.3 -4,-0.9 2,-0.3 0.750 90.8 101.2 -78.2 -22.7 -3.7 7.3 13.3 44 62 A L << + 0 0 17 -3,-1.1 8,-0.4 -4,-0.9 2,-0.2 -0.439 32.5 152.1 -80.4 130.5 -0.0 7.9 13.1 45 63 A N + 0 0 117 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.659 24.9 115.0-154.7 100.9 1.6 11.0 11.5 46 64 A H > - 0 0 28 3,-0.4 3,-1.8 -2,-0.2 52,-0.0 -0.972 64.3-119.4-164.3 143.9 5.0 12.2 12.7 47 65 A E T 3 S+ 0 0 118 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.540 114.2 52.9 -70.9 -5.2 8.5 12.6 11.3 48 66 A N T 3 S+ 0 0 12 49,-0.1 79,-2.6 78,-0.1 2,-0.4 0.151 98.9 73.6-112.3 16.5 9.8 10.3 14.0 49 67 A V B < S-e 127 0B 2 -3,-1.8 -3,-0.4 77,-0.3 79,-0.2 -0.997 94.2-103.0-128.8 134.1 7.4 7.4 13.3 50 68 A V - 0 0 7 77,-2.4 2,-0.1 -2,-0.4 -2,-0.1 -0.366 48.3-111.5 -54.1 125.5 7.7 5.2 10.3 51 69 A K - 0 0 72 -2,-0.1 15,-2.7 -4,-0.1 2,-0.5 -0.352 18.7-142.6 -71.4 136.8 5.0 6.3 7.8 52 70 A F E +D 65 0A 41 -8,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.881 23.9 171.0 -92.8 124.1 1.9 4.2 7.0 53 71 A Y E - 0 0 124 11,-3.4 2,-0.3 -2,-0.5 -1,-0.2 0.863 52.5 -65.7 -96.8 -56.0 1.0 4.4 3.3 54 72 A G E -D 64 0A 21 10,-0.8 10,-3.0 2,-0.0 -1,-0.4 -0.975 38.1-126.3-177.7-174.6 -1.7 1.8 2.9 55 73 A H E -D 63 0A 97 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.960 8.9-154.4-149.4 160.9 -2.5 -1.9 2.9 56 74 A R E -D 62 0A 49 6,-1.5 6,-2.0 -2,-0.3 2,-1.1 -0.968 12.2-142.4-148.6 130.6 -4.1 -4.5 0.7 57 75 A R E D 61 0A 81 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.656 360.0 360.0 -97.7 82.6 -5.9 -7.8 1.5 58 76 A E 0 0 96 -2,-1.1 -2,-0.0 2,-1.1 -1,-0.0 -0.433 360.0 360.0 -64.7 360.0 -5.0 -10.4 -1.2 59 ! 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 60 79 A I 0 0 60 0, 0.0 -2,-1.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.6 -2.0 -12.6 2.9 61 80 A Q E -CD 29 57A 41 -32,-2.8 -32,-2.1 -4,-0.2 2,-0.5 -0.908 360.0-151.6-108.0 131.5 -2.1 -9.0 4.1 62 81 A Y E -CD 28 56A 81 -6,-2.0 -6,-1.5 -2,-0.5 2,-0.5 -0.885 4.6-160.2-110.0 127.1 0.3 -6.5 2.8 63 82 A L E -CD 27 55A 0 -36,-2.0 -36,-1.7 -2,-0.5 2,-0.8 -0.902 7.4-150.3-111.0 130.5 1.5 -3.4 4.7 64 83 A F E +CD 26 54A 46 -10,-3.0 -11,-3.4 -2,-0.5 -10,-0.8 -0.808 28.3 170.9-104.1 99.9 3.0 -0.4 3.0 65 84 A L E -CD 25 52A 17 -40,-2.9 -40,-3.1 -2,-0.8 -13,-0.2 -0.779 41.4 -89.0-116.1 148.0 5.5 1.3 5.3 66 85 A E - 0 0 22 -15,-2.7 2,-0.6 -2,-0.3 -42,-0.1 -0.216 44.5-127.2 -46.8 134.7 8.1 4.1 4.9 67 86 A Y - 0 0 61 -44,-0.5 2,-0.7 -52,-0.0 -1,-0.1 -0.823 17.3-158.5 -92.8 125.4 11.4 2.7 3.8 68 87 A C > - 0 0 12 -2,-0.6 3,-1.3 1,-0.1 51,-0.2 -0.884 6.8-171.2-107.1 107.4 14.3 3.7 6.0 69 88 A S T 3 S+ 0 0 63 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.406 79.2 71.1 -82.8 2.7 17.5 3.3 4.0 70 89 A G T 3 S- 0 0 21 49,-2.6 -1,-0.3 1,-0.2 50,-0.2 0.616 94.4-144.2 -89.2 -16.9 19.6 3.9 7.1 71 90 A G E < -F 119 0B 31 -3,-1.3 48,-2.6 48,-0.8 -1,-0.2 -0.288 41.2 -28.1 81.3-170.5 18.7 0.5 8.7 72 91 A E E > -F 118 0B 63 46,-0.2 3,-1.7 1,-0.1 46,-0.2 -0.472 49.7-125.8 -84.0 151.5 18.1 -0.1 12.4 73 92 A L G > S+ 0 0 1 44,-3.1 3,-2.8 41,-0.9 4,-0.3 0.832 105.9 76.3 -60.5 -33.5 19.7 1.9 15.1 74 93 A F G > S+ 0 0 91 40,-1.2 3,-1.0 1,-0.3 -1,-0.3 0.796 90.0 55.6 -45.4 -34.4 20.9 -1.4 16.5 75 94 A D G < S+ 0 0 112 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.218 97.9 61.2 -93.6 13.7 23.6 -1.4 13.7 76 95 A R G < S+ 0 0 80 -3,-2.8 2,-0.7 2,-0.0 -1,-0.2 0.242 85.2 92.7-113.4 2.4 25.0 1.9 14.7 77 96 A I S < S- 0 0 25 -3,-1.0 6,-0.2 -4,-0.3 105,-0.1 -0.896 70.5-145.6-103.1 111.7 25.9 0.6 18.1 78 97 A E B >> -H 82 0C 118 4,-2.5 4,-3.2 -2,-0.7 3,-1.8 -0.638 34.3-104.8 -71.4 123.6 29.5 -0.7 18.3 79 98 A P T 34 S+ 0 0 107 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.262 99.9 1.2 -54.1 135.9 29.4 -3.7 20.7 80 99 A D T 34 S+ 0 0 93 105,-2.3 105,-0.2 1,-0.2 106,-0.1 0.379 134.1 60.2 66.5 -3.8 30.9 -3.0 24.1 81 100 A I T <4 S- 0 0 92 -3,-1.8 2,-0.6 104,-0.2 104,-0.3 0.757 77.0-162.6-118.5 -48.9 31.5 0.6 23.0 82 101 A G B < -H 78 0C 1 -4,-3.2 -4,-2.5 102,-0.3 101,-0.3 -0.871 37.3 -69.7 102.1-123.2 28.3 2.3 22.0 83 102 A M - 0 0 22 99,-0.9 -6,-0.1 -2,-0.6 2,-0.1 -0.966 61.7 -57.2-160.1 167.6 28.5 5.4 19.9 84 103 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.366 51.2-124.9 -52.3 127.6 29.7 9.0 20.1 85 104 A E H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.822 108.8 56.6 -45.5 -42.5 27.8 10.7 22.9 86 105 A P H 3> S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.884 106.4 47.9 -62.3 -41.6 26.5 13.4 20.4 87 106 A D H <> S+ 0 0 73 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.923 112.4 51.0 -62.5 -39.4 25.0 10.9 18.1 88 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.905 109.9 48.7 -62.3 -43.0 23.3 9.2 21.0 89 108 A Q H X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.937 111.5 49.9 -64.3 -45.3 21.9 12.5 22.3 90 109 A R H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 112.8 45.7 -57.4 -47.3 20.6 13.3 18.9 91 110 A F H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.892 112.1 52.6 -65.8 -39.1 18.9 9.9 18.5 92 111 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.884 106.0 53.1 -63.8 -40.6 17.5 10.2 22.0 93 112 A H H X S+ 0 0 58 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.962 112.6 44.4 -56.7 -50.9 16.0 13.6 21.3 94 113 A Q H X S+ 0 0 29 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.819 110.4 55.9 -64.8 -30.1 14.2 12.2 18.2 95 114 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.942 108.4 47.0 -67.1 -47.1 13.2 9.2 20.2 96 115 A M H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.872 110.9 52.1 -58.9 -41.3 11.5 11.4 22.9 97 116 A A H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.955 110.6 48.4 -60.1 -48.8 9.8 13.4 20.1 98 117 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 117.1 42.8 -53.1 -46.1 8.4 10.1 18.6 99 118 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.895 108.7 54.6 -75.7 -42.3 7.3 9.0 22.0 100 119 A V H X S+ 0 0 62 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.921 111.2 50.6 -54.1 -42.1 5.8 12.3 23.2 101 120 A Y H X S+ 0 0 50 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.965 111.1 43.7 -62.2 -58.6 3.8 12.1 20.1 102 121 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.9 0.919 115.6 49.7 -51.2 -49.9 2.4 8.6 20.4 103 122 A H H ><5S+ 0 0 8 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.826 104.5 60.6 -61.3 -32.6 1.7 9.2 24.1 104 123 A G H 3<5S+ 0 0 55 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.781 108.3 42.7 -66.3 -27.4 -0.1 12.4 23.1 105 124 A I T <<5S- 0 0 58 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.005 124.4-100.6-110.7 29.1 -2.6 10.4 21.0 106 125 A G T < 5S+ 0 0 1 -3,-1.4 30,-3.1 1,-0.2 31,-1.4 0.640 79.0 131.4 74.3 20.4 -3.0 7.7 23.6 107 126 A I E < -I 135 0D 0 -5,-2.8 2,-0.4 28,-0.2 28,-0.2 -0.910 36.8-167.0-115.1 129.6 -0.8 5.1 22.0 108 127 A T E -I 134 0D 0 26,-2.5 26,-2.1 -2,-0.4 60,-0.1 -0.947 12.1-155.3-110.7 130.3 2.0 3.0 23.7 109 128 A H - 0 0 1 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.906 16.2-165.1 -66.1 -46.0 4.4 1.1 21.4 110 129 A R S S+ 0 0 36 57,-0.1 41,-0.1 23,-0.1 -1,-0.1 0.362 72.3 63.3 77.8 -7.3 5.3 -1.5 24.2 111 130 A D + 0 0 19 39,-0.2 2,-0.4 18,-0.1 5,-0.1 -0.104 61.3 163.0-141.4 43.8 8.4 -2.7 22.4 112 131 A I + 0 0 2 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.503 20.6 131.2 -72.9 121.2 10.9 0.1 22.1 113 132 A K S > S- 0 0 35 -2,-0.4 3,-2.1 1,-0.1 4,-0.2 -0.975 71.1 -93.7-161.6 164.1 14.4 -1.3 21.3 114 133 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -40,-1.2 0.853 121.4 62.0 -61.2 -30.3 17.2 -0.6 18.8 115 134 A E G 3 S+ 0 0 59 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.710 107.4 46.1 -59.6 -22.5 15.8 -3.2 16.4 116 135 A N G < S+ 0 0 17 -3,-2.1 12,-2.5 -5,-0.1 2,-0.6 0.208 92.9 86.0-108.6 14.8 12.6 -1.1 16.2 117 136 A L E < - G 0 127B 0 -3,-1.5 -44,-3.1 10,-0.2 -43,-0.3 -0.937 64.7-169.2-115.2 105.8 14.3 2.3 15.7 118 137 A L E -FG 72 126B 35 8,-2.5 8,-2.7 -2,-0.6 2,-0.4 -0.549 11.3-138.8 -95.8 158.8 15.0 2.8 12.0 119 138 A L E -FG 71 125B 0 -48,-2.6 -49,-2.6 -51,-0.2 -48,-0.8 -0.932 10.0-155.0-118.8 140.7 17.1 5.4 10.3 120 139 A D > - 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0 0 64 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.752 22.8-138.4 -88.3 138.5 22.5 -4.2 27.9 188 207 A P S S- 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.792 76.2 -2.9 -66.7 -31.4 22.7 -3.9 31.7 189 208 A W - 0 0 7 -36,-0.1 7,-0.0 1,-0.1 8,-0.0 -0.967 58.5-118.4-158.7 161.4 20.6 -7.1 32.5 190 209 A D S S- 0 0 117 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.835 99.6 -15.8 -68.1 -41.7 18.7 -10.0 31.1 191 210 A Q S S- 0 0 62 2,-0.1 2,-1.4 -38,-0.1 -1,-0.3 -0.968 72.2-102.6-159.5 157.3 15.5 -8.8 32.8 192 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.454 72.6 119.4 -88.4 67.1 14.6 -6.4 35.6 193 212 A S S > S- 0 0 19 -2,-1.4 3,-2.4 1,-0.1 6,-0.3 -0.931 71.5-120.9-124.6 153.1 14.0 -8.8 38.5 194 213 A D T 3 S+ 0 0 97 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.775 112.6 70.0 -59.0 -29.3 15.7 -9.2 41.9 195 214 A S T 3 S+ 0 0 109 1,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.665 86.4 86.4 -57.7 -14.6 16.6 -12.7 40.9 196 215 A C <> - 0 0 11 -3,-2.4 4,-2.2 1,-0.2 3,-0.4 -0.816 69.3-156.8 -99.3 113.4 18.9 -10.9 38.5 197 216 A Q H > S+ 0 0 115 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.900 91.9 52.6 -52.8 -48.2 22.3 -10.1 40.0 198 217 A E H > S+ 0 0 91 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.854 109.8 46.7 -61.5 -39.5 23.0 -7.2 37.5 199 218 A Y H > S+ 0 0 0 -3,-0.4 4,-2.0 -6,-0.3 -1,-0.2 0.868 110.2 54.8 -70.0 -35.6 19.7 -5.5 38.2 200 219 A S H X S+ 0 0 19 -4,-2.2 4,-1.3 -7,-0.3 -2,-0.2 0.888 105.1 53.7 -60.1 -39.8 20.3 -5.9 42.0 201 220 A D H <>S+ 0 0 22 -4,-2.1 5,-2.8 1,-0.2 -1,-0.2 0.826 107.7 49.9 -66.9 -33.5 23.7 -4.2 41.6 202 221 A W H ><5S+ 0 0 10 -4,-1.2 3,-2.0 3,-0.2 -1,-0.2 0.894 107.0 53.3 -72.0 -42.7 22.1 -1.2 39.9 203 222 A K H 3<5S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.0 51.7 -61.9 -27.2 19.5 -0.8 42.6 204 223 A E T 3<5S- 0 0 114 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.337 116.8-119.5 -90.7 4.6 22.5 -0.8 45.0 205 224 A K T < 5 + 0 0 141 -3,-2.0 2,-2.5 1,-0.2 -3,-0.2 0.737 54.6 159.0 68.4 25.9 24.1 2.0 42.9 206 225 A K > < + 0 0 53 -5,-2.8 3,-1.5 1,-0.2 -1,-0.2 -0.390 6.9 156.5 -75.0 65.4 27.2 -0.0 42.1 207 226 A T T 3 + 0 0 41 -2,-2.5 -1,-0.2 1,-0.3 -5,-0.1 0.489 54.1 83.2 -79.8 2.0 27.9 2.2 39.1 208 227 A Y T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.447 85.2 77.8 -78.1 -2.2 31.6 1.3 39.2 209 228 A L S <> S- 0 0 56 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.551 90.8 -47.5-100.0 169.4 30.5 -1.8 37.2 210 229 A N T 4 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.544 115.4 14.8 -74.0 145.5 29.6 -2.2 33.5 211 230 A P T >4 S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.997 124.9 54.9 -85.6 -7.0 27.9 -0.7 31.7 212 231 A W G >4 S+ 0 0 8 1,-0.3 3,-2.2 2,-0.2 -2,-0.2 0.828 99.2 60.3 -60.1 -38.8 27.7 2.3 34.0 213 232 A K G 3< S+ 0 0 132 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.697 101.3 57.3 -63.0 -18.0 31.4 2.9 34.4 214 233 A K G < S+ 0 0 69 -3,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.448 94.3 85.4 -87.0 -3.5 31.6 3.4 30.6 215 234 A I S < S- 0 0 11 -3,-2.2 -31,-0.1 -4,-0.2 5,-0.1 -0.885 83.2-117.9-111.1 121.3 29.0 6.2 30.8 216 235 A D > - 0 0 80 -2,-0.5 4,-2.2 -33,-0.1 5,-0.1 -0.110 32.0-111.6 -50.9 153.2 29.8 9.8 31.5 217 236 A S H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.701 110.2 59.6 -71.0 -24.2 28.2 11.2 34.7 218 237 A A H >> S+ 0 0 3 2,-0.2 4,-1.3 1,-0.1 3,-0.5 0.987 112.7 37.1 -65.3 -57.6 25.8 13.6 33.0 219 238 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.902 114.6 58.1 -59.6 -39.5 24.0 10.9 31.0 220 239 A L H 3X S+ 0 0 17 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.825 100.8 55.0 -60.8 -34.2 24.3 8.5 33.9 221 240 A A H > S- 0 0 77 1,-0.2 4,-1.9 -73,-0.1 3,-1.4 -0.709 74.7-149.2 -81.0 114.0 8.8 2.6 41.3 231 250 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 97.4 52.8 -61.1 -18.2 6.9 3.6 38.2 232 251 A S T 34 S+ 0 0 100 1,-0.2 -3,-0.1 -63,-0.0 -2,-0.0 0.708 110.2 46.6 -84.8 -24.4 5.5 6.6 40.1 233 252 A A T <4 S+ 0 0 66 -3,-1.4 -1,-0.2 -5,-0.1 3,-0.1 0.760 91.1 108.7 -85.1 -24.2 8.9 7.7 41.2 234 253 A R S < S- 0 0 8 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.152 81.1-101.5 -60.4 139.3 10.3 7.4 37.7 235 254 A I - 0 0 21 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.274 36.3-136.9 -59.1 144.6 11.1 10.6 35.8 236 255 A T > - 0 0 74 -3,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.619 22.6-105.7 -99.9 168.6 8.5 11.6 33.2 237 256 A I H > S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.879 117.4 57.6 -65.3 -42.5 9.2 12.8 29.7 238 257 A P H 4 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.927 112.7 44.5 -51.5 -39.7 8.4 16.5 30.4 239 258 A D H >4 S+ 0 0 81 -3,-0.3 3,-1.0 1,-0.2 4,-0.4 0.773 106.3 57.9 -76.8 -28.2 11.0 16.3 33.1 240 259 A I H >< S+ 0 0 1 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.894 99.2 61.9 -62.7 -39.1 13.5 14.4 30.8 241 260 A K T 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.645 106.5 45.7 -60.0 -14.5 13.1 17.4 28.5 242 261 A K T < S+ 0 0 156 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.402 84.3 121.7-108.8 -1.4 14.6 19.5 31.4 243 262 A D <> - 0 0 6 -3,-1.5 4,-1.9 -4,-0.4 5,-0.2 -0.286 68.2-123.3 -63.3 145.9 17.5 17.2 32.4 244 263 A R H > S+ 0 0 159 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.916 109.2 43.0 -60.1 -46.9 21.0 18.7 32.2 245 264 A W H 4 S+ 0 0 1 -27,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.890 110.3 56.8 -67.7 -39.9 22.6 16.1 29.9 246 265 A Y H 4 S+ 0 0 14 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.895 117.2 36.2 -54.0 -40.2 19.5 16.2 27.6 247 266 A N H < S+ 0 0 95 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.511 91.1 112.5 -93.9 -5.7 20.0 19.9 27.3 248 267 A K S < S- 0 0 74 -4,-1.0 2,-0.1 -3,-0.4 -3,-0.0 -0.564 71.7-122.9 -72.5 116.7 23.8 19.8 27.3 249 268 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.369 30.1-158.5 -64.1 135.8 25.1 20.9 23.8 250 269 A L 0 0 49 1,-0.1 -160,-0.0 -164,-0.1 0, 0.0 -0.956 360.0 360.0-126.8 135.9 27.3 18.2 22.2 251 270 A K 0 0 135 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.946 360.0 360.0 -70.9 360.0 30.0 18.4 19.5