==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-OCT-05 2C3K . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.FOLOPPE,L.M.FISHER,G.FRANCIS,R.HOWES,P.KIERSTAN,A.POTTER . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 68.3 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 . 47 17.9 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 . 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 . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 0 0 0 0 0 1 0 0 1 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 0 2 1 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 6 A V 0 0 108 0, 0.0 22,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 2.3 14.2 1.6 37.1 2 7 A E + 0 0 138 2,-0.0 2,-0.4 21,-0.0 21,-0.0 -0.007 360.0 89.5-127.0 30.4 15.9 -1.1 35.0 3 8 A D - 0 0 85 2,-0.0 21,-1.5 0, 0.0 22,-0.3 -0.982 56.3-171.3-135.0 127.3 14.0 -4.2 35.8 4 9 A W E -A 23 0A 35 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.578 20.0-131.7-121.7 163.4 10.9 -5.2 33.9 5 10 A D E -A 22 0A 81 17,-1.2 17,-1.8 -2,-0.2 2,-1.7 -0.961 18.8-132.7-124.8 125.7 8.1 -7.6 33.8 6 11 A L E +A 21 0A 100 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.530 35.8 172.4 -68.1 87.6 7.0 -9.5 30.8 7 12 A V E - 0 0 81 13,-1.8 2,-0.3 -2,-1.7 -1,-0.2 0.899 53.7 -16.2 -70.6 -48.5 3.3 -8.7 31.1 8 13 A Q E -A 20 0A 106 12,-0.8 12,-3.1 0, 0.0 -1,-0.2 -0.991 64.5-100.6-159.6 152.8 1.8 -10.2 27.9 9 14 A T E +A 19 0A 60 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.452 32.1 175.6 -73.0 148.6 2.6 -11.5 24.4 10 15 A L E + 0 0 73 8,-2.9 2,-0.2 1,-0.2 9,-0.2 0.632 68.4 4.8-126.0 -34.2 2.0 -9.0 21.6 11 16 A G E -A 18 0A 28 7,-1.2 7,-2.6 2,-0.0 2,-1.3 -0.741 56.2-160.7-162.8 104.5 3.2 -10.6 18.4 12 17 A E + 0 0 137 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.664 32.5 163.8 -92.2 81.9 4.6 -14.2 18.2 13 18 A G - 0 0 45 -2,-1.3 -2,-0.0 3,-0.1 -1,-0.0 0.256 52.0 -86.7 -79.5-154.7 6.5 -14.0 14.9 14 19 A A S S+ 0 0 104 1,-0.1 3,-0.1 3,-0.0 -1,-0.0 0.869 123.6 51.4 -87.5 -43.4 9.2 -16.3 13.5 15 20 A Y S S- 0 0 97 1,-0.1 21,-0.9 20,-0.1 2,-0.3 0.691 128.6 -82.6 -67.0 -20.6 12.2 -14.8 15.1 16 21 A G E - B 0 35A 22 19,-0.2 2,-0.3 23,-0.1 19,-0.2 -0.894 65.2 -45.5 157.5-123.9 10.5 -15.1 18.5 17 22 A E E - B 0 34A 53 17,-1.0 17,-2.1 -2,-0.3 2,-0.5 -0.990 28.5-133.1-151.5 137.2 7.9 -12.8 20.2 18 23 A V E -AB 11 33A 42 -7,-2.6 -8,-2.9 -2,-0.3 -7,-1.2 -0.787 34.9-168.3 -81.1 128.3 7.2 -9.2 21.0 19 24 A Q E -AB 9 32A 23 13,-3.0 13,-2.8 -2,-0.5 2,-0.4 -0.940 23.5-120.6-121.5 144.8 6.3 -8.9 24.7 20 25 A L E -AB 8 31A 13 -12,-3.1 -13,-1.8 -2,-0.4 -12,-0.8 -0.707 31.4-163.8 -76.9 130.8 4.8 -6.0 26.7 21 26 A A E -AB 6 30A 1 9,-2.8 9,-2.6 -2,-0.4 2,-0.5 -0.968 7.1-167.3-124.1 118.4 7.2 -5.0 29.5 22 27 A V E -AB 5 29A 25 -17,-1.8 -17,-1.2 -2,-0.5 7,-0.2 -0.897 23.1-126.3-105.0 125.5 6.1 -2.8 32.5 23 28 A N E > -A 4 0A 1 5,-2.6 4,-0.8 -2,-0.5 -19,-0.2 -0.469 14.3-136.3 -66.1 139.9 8.7 -1.4 34.8 24 29 A R T 4 S+ 0 0 167 -21,-1.5 -1,-0.1 -2,-0.2 -20,-0.1 0.840 95.7 26.7 -68.9 -35.9 8.1 -2.2 38.5 25 30 A V T 4 S+ 0 0 103 -22,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.915 130.6 31.6 -93.3 -54.4 8.8 1.2 40.0 26 31 A T T 4 S- 0 0 78 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.730 91.0-133.3 -81.2 -24.8 8.0 3.8 37.3 27 32 A E < + 0 0 139 -4,-0.8 -3,-0.1 1,-0.3 2,-0.1 0.444 46.6 163.2 80.8 3.7 5.2 1.9 35.6 28 33 A E - 0 0 93 -6,-0.1 -5,-2.6 1,-0.1 2,-0.5 -0.300 30.1-141.6 -58.4 126.4 6.8 2.7 32.2 29 34 A A E +B 22 0A 39 -7,-0.2 50,-0.5 -3,-0.1 2,-0.3 -0.833 26.2 169.0 -93.5 124.4 5.6 0.4 29.3 30 35 A V E -B 21 0A 2 -9,-2.6 -9,-2.8 -2,-0.5 2,-0.5 -0.957 32.1-124.9-128.5 154.6 8.0 -0.8 26.6 31 36 A A E -BC 20 77A 9 46,-2.8 46,-3.0 -2,-0.3 2,-0.5 -0.864 25.8-166.1 -97.4 125.8 7.9 -3.4 23.8 32 37 A V E -BC 19 76A 4 -13,-2.8 -13,-3.0 -2,-0.5 2,-0.5 -0.964 8.4-155.0-115.7 119.7 10.6 -6.0 23.9 33 38 A K E -BC 18 75A 9 42,-1.5 42,-2.2 -2,-0.5 2,-0.6 -0.807 13.0-150.9 -90.3 129.8 11.3 -8.3 21.0 34 39 A I E -BC 17 74A 24 -17,-2.1 -17,-1.0 -2,-0.5 2,-0.5 -0.906 16.4-179.4-109.7 110.0 13.0 -11.5 22.1 35 40 A V E -BC 16 73A 9 38,-2.1 38,-2.7 -2,-0.6 2,-0.6 -0.939 14.7-156.1-116.5 121.2 15.3 -13.2 19.5 36 41 A D E - C 0 72A 51 -21,-0.9 36,-0.2 -2,-0.5 -2,-0.0 -0.859 1.9-161.3 -96.7 118.6 17.1 -16.4 20.2 37 42 A M S S+ 0 0 36 34,-1.3 -1,-0.1 -2,-0.6 35,-0.1 0.688 91.2 46.1 -71.9 -22.5 20.2 -16.8 18.0 38 43 A K 0 0 82 33,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.938 360.0 360.0 -83.2 -59.0 20.3 -20.5 18.6 39 44 A R 0 0 116 -24,-0.1 -2,-0.1 2,-0.1 -23,-0.1 0.906 360.0 360.0 -92.8 360.0 16.6 -21.5 18.0 40 ! 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 41 48 A C 0 0 80 0, 0.0 4,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 106.0 20.5 -16.5 13.3 42 49 A P + 0 0 96 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 0.221 360.0 54.3 -93.3 13.2 23.4 -14.2 14.4 43 50 A E S > S+ 0 0 107 2,-0.1 4,-1.3 3,-0.1 3,-0.4 0.823 104.5 40.0-112.1 -62.0 23.4 -12.2 11.1 44 51 A N H > S+ 0 0 38 1,-0.2 4,-0.7 2,-0.2 5,-0.0 0.518 114.5 58.6 -73.9 -7.4 20.0 -10.7 10.2 45 52 A I H > S+ 0 0 7 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.771 102.4 50.9 -86.3 -34.0 19.6 -9.9 13.9 46 53 A K H > S+ 0 0 95 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.827 108.5 53.1 -71.5 -32.1 22.7 -7.7 14.1 47 54 A K H X S+ 0 0 75 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.895 105.9 53.0 -70.2 -41.7 21.5 -5.7 11.0 48 55 A E H X S+ 0 0 11 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.884 112.4 45.2 -57.2 -41.6 18.2 -5.0 12.7 49 56 A I H X S+ 0 0 10 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.938 113.7 49.8 -68.8 -46.3 20.0 -3.6 15.8 50 57 A C H X S+ 0 0 81 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.933 113.3 44.7 -55.7 -53.6 22.4 -1.6 13.6 51 58 A I H >X S+ 0 0 3 -4,-2.9 4,-1.2 1,-0.2 3,-1.2 0.939 110.6 55.1 -59.9 -48.5 19.6 -0.0 11.6 52 59 A N H >< S+ 0 0 6 -4,-2.3 3,-0.7 1,-0.3 11,-0.3 0.888 101.2 57.9 -54.2 -44.1 17.5 0.7 14.6 53 60 A K H 3< S+ 0 0 120 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.763 105.6 51.5 -59.2 -30.1 20.3 2.7 16.3 54 61 A M H << S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.9 2,-0.2 0.848 91.6 97.9 -68.2 -35.7 20.5 5.0 13.3 55 62 A L << + 0 0 15 -4,-1.2 8,-0.4 -3,-0.7 2,-0.3 -0.346 34.7 155.6 -77.0 128.2 16.7 5.7 13.3 56 63 A N + 0 0 115 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.758 26.8 117.0-145.9 99.5 15.2 8.9 14.9 57 64 A H > - 0 0 31 3,-0.4 3,-1.6 -2,-0.3 53,-0.0 -0.979 63.8-121.1-164.4 146.8 11.8 10.0 13.7 58 65 A E T 3 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.657 113.4 51.2 -71.1 -17.5 8.3 10.5 14.9 59 66 A N T 3 S+ 0 0 10 79,-0.1 80,-2.7 2,-0.1 2,-0.4 0.260 99.9 77.6 -98.9 11.2 6.8 8.1 12.3 60 67 A V B < S-e 139 0B 2 -3,-1.6 -3,-0.4 78,-0.3 80,-0.2 -0.983 91.4-108.8-121.8 131.5 9.3 5.4 13.2 61 68 A V - 0 0 11 78,-2.4 -2,-0.1 -2,-0.4 -6,-0.1 -0.390 47.2-112.3 -56.7 125.0 8.9 3.1 16.3 62 69 A K - 0 0 70 -2,-0.1 16,-2.6 -4,-0.1 2,-0.5 -0.269 17.9-141.9 -70.9 144.0 11.7 4.2 18.7 63 70 A F E +D 77 0A 28 -8,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.937 18.8 177.9-103.8 125.0 14.7 2.0 19.6 64 71 A Y E - 0 0 116 12,-4.2 2,-0.3 -2,-0.5 13,-0.2 0.785 51.3 -76.0 -97.5 -35.5 15.8 2.3 23.3 65 72 A G E -D 76 0A 18 11,-1.3 11,-2.7 2,-0.0 -1,-0.4 -0.955 39.9-103.4 160.6-175.7 18.6 -0.2 23.5 66 73 A H E -D 75 0A 48 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 11.5-157.5-146.1 139.6 19.5 -3.8 23.7 67 74 A R E -D 74 0A 76 7,-1.0 7,-2.7 -2,-0.3 -2,-0.0 -0.899 7.7-156.1-110.7 150.3 20.7 -6.4 26.3 68 75 A R + 0 0 154 -2,-0.3 -1,-0.1 5,-0.2 0, 0.0 0.785 13.5 178.0 -98.6 -34.2 22.5 -9.6 25.3 69 76 A E > - 0 0 115 1,-0.1 3,-1.5 2,-0.1 2,-1.1 0.746 69.4 -67.2 21.4 65.8 21.9 -12.1 28.2 70 77 A G T 3 S- 0 0 72 1,-0.3 -1,-0.1 3,-0.0 3,-0.0 -0.548 114.1 -17.2 75.9 -98.6 23.8 -15.0 26.6 71 78 A N T 3 S+ 0 0 79 -2,-1.1 -34,-1.3 2,-0.0 2,-1.1 0.549 114.3 95.4-115.3 -20.1 21.9 -15.9 23.5 72 79 A I E < -C 36 0A 60 -3,-1.5 2,-0.4 -36,-0.2 -36,-0.2 -0.644 63.9-159.6 -71.7 100.9 18.5 -14.3 24.4 73 80 A Q E -C 35 0A 4 -38,-2.7 -38,-2.1 -2,-1.1 2,-0.5 -0.726 1.1-154.1 -84.9 130.4 18.8 -10.9 22.6 74 81 A Y E -CD 34 67A 50 -7,-2.7 -7,-1.0 -2,-0.4 2,-0.7 -0.925 5.4-161.5-107.6 127.3 16.4 -8.2 23.9 75 82 A L E -CD 33 66A 1 -42,-2.2 -42,-1.5 -2,-0.5 2,-0.8 -0.889 9.7-154.1-107.7 104.3 15.3 -5.3 21.7 76 83 A F E +CD 32 65A 20 -11,-2.7 -12,-4.2 -2,-0.7 -11,-1.3 -0.709 29.6 166.7 -83.8 110.2 14.0 -2.4 23.8 77 84 A L E -CD 31 63A 28 -46,-3.0 -46,-2.8 -2,-0.8 -14,-0.2 -0.905 42.2 -87.9-130.9 148.2 11.5 -0.6 21.6 78 85 A E - 0 0 26 -16,-2.6 2,-0.4 -2,-0.3 -48,-0.1 -0.224 45.0-131.8 -50.8 137.5 8.7 2.1 21.9 79 86 A Y - 0 0 62 -50,-0.5 2,-0.6 -58,-0.1 -1,-0.1 -0.794 12.8-155.5 -97.3 140.7 5.4 0.5 22.7 80 87 A C > - 0 0 14 -2,-0.4 3,-0.9 52,-0.1 51,-0.2 -0.944 7.5-168.9-121.3 112.0 2.3 1.5 20.7 81 88 A S T 3 S+ 0 0 66 -2,-0.6 51,-0.2 1,-0.2 -1,-0.1 0.623 80.0 71.9 -74.6 -13.0 -0.9 1.0 22.5 82 89 A G T 3 S- 0 0 16 49,-1.7 -1,-0.2 1,-0.2 50,-0.2 0.688 90.6-148.8 -74.4 -21.6 -2.9 1.6 19.3 83 90 A G E < -F 131 0B 28 -3,-0.9 48,-2.8 48,-0.8 2,-0.3 -0.450 38.0 -22.4 89.6-160.9 -2.0 -1.7 17.7 84 91 A E E > -F 130 0B 67 46,-0.2 3,-1.5 -2,-0.1 4,-0.4 -0.660 48.8-130.4 -89.6 145.6 -1.5 -2.6 14.1 85 92 A L G >> S+ 0 0 1 44,-3.2 3,-1.6 41,-1.0 4,-0.5 0.802 104.2 76.7 -64.8 -27.2 -3.1 -0.7 11.3 86 93 A F G >4 S+ 0 0 100 40,-1.1 3,-1.0 43,-0.3 -1,-0.3 0.851 91.7 53.6 -42.3 -41.4 -4.3 -4.0 10.0 87 94 A D G <4 S+ 0 0 119 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.596 101.0 57.7 -82.8 -9.5 -7.0 -3.9 12.8 88 95 A R G <4 S+ 0 0 97 -3,-1.6 2,-0.7 -4,-0.4 -1,-0.3 0.485 87.5 90.7 -93.3 -0.9 -8.3 -0.6 11.8 89 96 A I S << S- 0 0 22 -3,-1.0 6,-0.2 -4,-0.5 105,-0.1 -0.808 71.5-147.0 -93.9 113.6 -9.1 -1.8 8.2 90 97 A E B >> -H 94 0C 89 4,-3.3 4,-3.5 -2,-0.7 3,-2.2 -0.711 31.0-107.1 -78.1 121.2 -12.6 -3.2 8.1 91 98 A P T 34 S+ 0 0 111 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.133 98.1 4.4 -54.1 139.0 -12.6 -6.1 5.5 92 99 A D T 34 S+ 0 0 96 105,-2.7 105,-0.2 1,-0.2 106,-0.1 0.298 136.4 48.1 63.6 -6.0 -14.4 -5.2 2.2 93 100 A I T <4 S- 0 0 114 -3,-2.2 2,-0.7 104,-0.2 104,-0.3 0.596 81.1-163.1-125.3 -34.7 -15.0 -1.6 3.2 94 101 A G B < -H 90 0C 0 -4,-3.5 -4,-3.3 102,-0.3 101,-0.2 -0.810 39.9 -61.4 93.8-112.9 -11.7 -0.3 4.6 95 102 A M - 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0 0 0 1,-0.1 3,-1.6 35,-0.1 4,-0.7 -0.558 23.2-118.3 -78.0 150.2 6.5 -4.8 -6.6 169 176 A P H >> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.763 111.0 61.4 -62.9 -31.0 6.4 -6.7 -10.0 170 177 A E H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 6,-0.1 0.760 95.0 64.0 -60.4 -27.5 10.1 -5.9 -10.8 171 178 A L H <4 S+ 0 0 10 -3,-1.6 -1,-0.2 1,-0.2 6,-0.0 0.820 109.9 38.6 -73.8 -28.6 11.1 -7.8 -7.7 172 179 A L H << S+ 0 0 55 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.874 126.3 35.4 -81.4 -41.9 9.7 -10.9 -9.3 173 180 A K H < S+ 0 0 110 -4,-2.1 -2,-0.2 2,-0.0 -3,-0.2 0.942 104.2 65.7 -82.7 -49.9 10.9 -10.2 -12.9 174 181 A R < - 0 0 109 -4,-2.5 3,-0.1 -5,-0.1 0, 0.0 -0.338 63.9-143.3 -83.2 154.6 14.4 -8.4 -12.6 175 182 A R S S+ 0 0 209 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.767 94.3 19.0 -80.6 -31.4 17.6 -9.9 -11.3 176 183 A E S S+ 0 0 77 -6,-0.1 2,-0.3 -17,-0.0 -1,-0.2 -0.976 75.2 171.1-139.7 148.4 18.5 -6.5 -9.8 177 184 A F B -K 157 0F 5 -20,-1.9 -20,-2.8 -2,-0.3 2,-0.2 -0.978 36.2 -91.8-155.7 160.7 16.3 -3.4 -9.0 178 185 A H > - 0 0 84 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.490 30.7-139.3 -75.9 148.2 16.2 0.0 -7.3 179 186 A A H >> S+ 0 0 0 -24,-0.2 4,-1.6 -2,-0.2 3,-0.6 0.917 90.2 56.8 -77.7 -41.3 15.1 0.1 -3.6 180 187 A E H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.889 100.5 54.0 -66.8 -45.6 12.8 3.1 -3.4 181 188 A P H 3> S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.804 106.4 54.9 -58.3 -30.5 10.3 2.2 -6.1 182 189 A V H S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 5,-0.5 0.877 110.8 52.4 -54.6 -39.0 -5.8 0.2 -1.7 193 200 A A H X5S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.934 108.7 46.7 -66.0 -47.1 -6.2 -1.7 1.6 194 201 A M H <5S+ 0 0 1 -4,-2.3 -99,-1.0 1,-0.2 -1,-0.2 0.709 119.1 41.5 -66.2 -25.1 -7.3 1.2 3.7 195 202 A L H <5S+ 0 0 12 -4,-1.4 -1,-0.2 -101,-0.2 -2,-0.2 0.667 129.8 21.0-101.9 -17.6 -9.8 2.4 1.1 196 203 A A H <5S- 0 0 0 -4,-1.7 -102,-0.3 -3,-0.2 -3,-0.2 0.588 90.3-127.9-123.2 -23.9 -11.3 -0.9 -0.1 197 204 A G S < S- 0 0 18 -2,-0.9 3,-0.7 1,-0.1 6,-0.2 -0.803 70.3-121.7-102.5 143.9 2.7 -11.6 -11.9 206 213 A D T 3 S+ 0 0 89 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.652 111.7 70.8 -59.8 -13.2 1.2 -11.7 -15.4 207 214 A S T 3 S+ 0 0 112 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 -0.162 83.1 87.5 -91.3 37.4 -0.1 -15.2 -14.3 208 215 A C X> - 0 0 10 -3,-0.7 4,-1.6 1,-0.2 3,-0.5 -0.943 68.3-154.0-140.2 116.6 -2.5 -13.4 -12.0 209 216 A Q H 3> S+ 0 0 121 -2,-0.4 4,-2.4 1,-0.3 3,-0.4 0.907 91.5 52.0 -60.1 -50.8 -5.8 -12.5 -13.5 210 217 A E H 3> S+ 0 0 93 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.760 109.9 51.3 -61.6 -29.8 -6.7 -9.6 -11.2 211 218 A Y H <> S+ 0 0 1 -3,-0.5 4,-1.8 -6,-0.2 -1,-0.3 0.828 108.8 50.1 -73.7 -36.9 -3.3 -8.0 -11.9 212 219 A S H X S+ 0 0 22 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.868 107.3 56.0 -65.8 -36.9 -3.8 -8.3 -15.7 213 220 A D H <>S+ 0 0 25 -4,-2.4 5,-2.2 2,-0.2 -1,-0.2 0.764 105.7 51.9 -64.4 -29.8 -7.2 -6.7 -15.3 214 221 A W H ><5S+ 0 0 11 -4,-0.7 3,-1.9 -5,-0.2 -2,-0.2 0.919 107.2 49.3 -76.7 -43.7 -5.5 -3.7 -13.6 215 222 A K H 3<5S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.866 107.4 57.9 -61.4 -34.8 -2.9 -3.1 -16.4 216 223 A E T 3<5S- 0 0 118 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.316 115.8-120.5 -74.6 7.6 -5.9 -3.3 -18.8 217 224 A K T < 5 + 0 0 155 -3,-1.9 2,-2.7 1,-0.2 -3,-0.2 0.652 57.1 156.2 63.0 20.1 -7.5 -0.4 -16.9 218 225 A K > < + 0 0 61 -5,-2.2 3,-1.7 1,-0.2 -1,-0.2 -0.284 5.4 154.9 -71.9 56.7 -10.6 -2.4 -15.9 219 226 A T T 3 + 0 0 44 -2,-2.7 -1,-0.2 1,-0.3 -5,-0.1 0.264 53.3 86.6 -74.3 13.8 -11.2 -0.2 -12.9 220 227 A Y T 3 S+ 0 0 143 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.427 81.1 76.5 -88.5 -6.9 -14.9 -1.1 -13.1 221 228 A L S <> S- 0 0 55 -3,-1.7 4,-1.9 1,-0.2 5,-0.2 -0.444 95.5 -58.6 -96.5 172.5 -14.1 -4.2 -11.0 222 229 A N T 4 S+ 0 0 82 2,-0.2 2,-0.9 1,-0.2 -1,-0.2 -0.220 116.3 31.9 -49.9 172.3 -13.5 -4.9 -7.3 223 230 A P T >4 S+ 0 0 8 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.918 125.7 43.5 26.4 -70.8 -10.8 -3.2 -5.6 224 231 A W G >> S+ 0 0 12 -2,-0.9 3,-1.1 1,-0.3 4,-0.6 0.568 99.0 65.4 -68.9 -22.9 -11.0 -0.1 -7.7 225 232 A K G 3< S+ 0 0 136 -4,-1.9 -1,-0.3 1,-0.2 -3,-0.1 0.538 101.2 53.4 -78.5 -5.6 -14.8 0.6 -8.0 226 233 A K G <4 S+ 0 0 72 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.394 97.2 76.0 -96.9 -3.6 -15.0 1.3 -4.2 227 234 A I T <4 S- 0 0 6 -3,-1.1 -2,-0.1 -4,-0.1 2,-0.1 0.988 86.0-120.9 -85.0 -65.2 -12.2 3.8 -4.3 228 235 A D X - 0 0 79 -4,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.060 26.4 -96.4 116.9 136.4 -13.1 7.2 -5.7 229 236 A S H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.800 114.8 51.3 -60.8 -39.7 -11.7 9.1 -8.6 230 237 A A H > S+ 0 0 1 2,-0.2 4,-1.1 1,-0.2 27,-0.4 0.970 117.3 35.5 -65.2 -56.5 -9.2 11.3 -6.8 231 238 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.865 116.6 57.2 -64.4 -32.6 -7.3 8.7 -4.7 232 239 A L H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.907 99.0 59.1 -60.9 -42.9 -7.7 6.2 -7.6 233 240 A A H X S+ 0 0 36 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.824 108.1 46.2 -55.1 -36.7 -5.9 8.7 -9.9 234 241 A L H X S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.3 -1,-0.2 0.773 107.1 56.3 -70.4 -35.0 -2.9 8.5 -7.6 235 242 A L H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.3 -2,-0.2 0.857 102.1 58.1 -69.8 -31.6 -3.1 4.7 -7.4 236 243 A H H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.9 45.0 -63.7 -32.8 -2.8 4.8 -11.2 237 244 A K H < S+ 0 0 81 -4,-0.5 10,-2.2 -5,-0.2 3,-0.3 0.733 117.9 42.6 -85.2 -19.1 0.5 6.6 -10.8 238 245 A I H < S+ 0 0 0 -4,-1.5 2,-1.5 1,-0.2 -2,-0.2 0.847 106.0 58.5 -90.8 -43.6 1.9 4.3 -8.0 239 246 A L S < S+ 0 0 6 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.335 73.8 139.6 -93.4 58.1 0.9 1.0 -9.3 240 247 A V - 0 0 40 -2,-1.5 6,-0.2 -3,-0.3 -3,-0.1 -0.865 50.9-141.1 -97.8 132.2 2.8 1.4 -12.6 241 248 A E S S+ 0 0 59 -2,-0.4 -71,-0.1 1,-0.1 -1,-0.1 0.752 86.6 74.0 -67.2 -27.5 4.7 -1.8 -13.8 242 249 A N S >> S- 0 0 87 1,-0.2 4,-1.7 -73,-0.1 3,-1.3 -0.787 73.2-153.5 -92.2 109.5 7.7 0.1 -15.0 243 250 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.717 94.2 53.9 -53.4 -26.8 9.7 1.2 -11.9 244 251 A S T 34 S+ 0 0 102 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.774 109.9 44.4 -78.3 -31.4 11.1 4.1 -13.9 245 252 A A T <4 S+ 0 0 68 -3,-1.3 -1,-0.2 2,-0.1 3,-0.1 0.742 92.2 108.7 -80.0 -24.1 7.8 5.5 -15.0 246 253 A R S < S- 0 0 8 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.240 80.9-100.4 -62.9 137.3 6.3 5.0 -11.5 247 254 A I - 0 0 23 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.137 35.3-139.6 -53.6 145.4 5.7 8.2 -9.5 248 255 A T > - 0 0 76 -3,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.623 25.3-101.9 -99.7 174.1 8.3 9.1 -6.8 249 256 A I H >> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.954 118.1 56.1 -65.0 -51.7 7.6 10.5 -3.3 250 257 A P H 34 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.854 112.9 46.9 -47.5 -33.1 8.3 14.2 -4.0 251 258 A D H >4 S+ 0 0 80 -3,-0.4 3,-0.6 2,-0.2 4,-0.4 0.717 103.9 58.2 -82.3 -27.0 5.7 13.9 -6.7 252 259 A I H X< S+ 0 0 3 -4,-1.4 3,-1.5 -3,-0.8 6,-0.2 0.911 101.2 59.6 -61.1 -43.8 3.2 12.1 -4.5 253 260 A K T 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.624 105.1 49.0 -56.7 -16.5 3.4 15.2 -2.3 254 261 A K T < S+ 0 0 144 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.520 86.7 121.5 -99.0 -8.9 2.2 17.3 -5.3 255 262 A D <> - 0 0 8 -3,-1.5 4,-1.4 -4,-0.4 5,-0.1 -0.175 68.1-125.5 -63.4 144.7 -0.8 15.0 -6.0 256 263 A R T 4 S+ 0 0 158 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.917 109.1 41.9 -56.5 -54.8 -4.4 16.3 -6.1 257 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.863 109.7 59.3 -62.4 -38.6 -5.9 13.8 -3.5 258 265 A Y T 34 S+ 0 0 27 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.798 113.8 37.7 -57.2 -34.0 -2.8 14.0 -1.2 259 266 A N T 3< S+ 0 0 100 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.292 90.0 116.3-103.1 4.1 -3.4 17.8 -0.8 260 267 A K < - 0 0 95 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.0 -0.582 69.6-121.1 -74.4 126.7 -7.2 17.6 -0.7 261 268 A P + 0 0 118 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.533 58.7 129.6 -69.6 131.6 -8.7 18.8 2.6 262 269 A L 0 0 65 -2,-0.2 -163,-0.1 1,-0.2 -165,-0.0 0.475 360.0 360.0-141.9 -46.8 -10.7 16.1 4.4 263 270 A K 0 0 153 -165,-0.2 -1,-0.2 -166,-0.1 -166,-0.0 -0.620 360.0 360.0 -94.5 360.0 -9.7 15.6 8.0