==== 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 04-MAY-05 2BRB . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.FOLOPPE,L.M.FISHER,R.HOWES,P.KIERSTAN,A.POTTER, . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 18.8 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 0.7 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-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 . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 1 1 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 0 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 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 2 A A 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.7 -0.3 8.8 -13.2 2 3 A V > - 0 0 80 1,-0.1 3,-0.9 2,-0.0 4,-0.2 -0.560 360.0-148.7 -69.8 118.4 3.2 7.3 -12.9 3 4 A P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.785 88.5 27.7 -62.9 -34.9 3.0 3.7 -14.3 4 5 A F T > S+ 0 0 96 1,-0.1 3,-0.7 2,-0.1 25,-0.4 0.063 84.6 108.4-119.1 23.9 5.7 2.0 -12.1 5 6 A V T < S+ 0 0 57 -3,-0.9 -1,-0.1 1,-0.2 25,-0.1 0.700 76.5 56.0 -76.5 -20.0 5.7 4.2 -8.9 6 7 A E T 3 S+ 0 0 127 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.561 85.9 102.7 -87.6 -10.4 4.0 1.5 -6.8 7 8 A D < - 0 0 74 -3,-0.7 21,-2.1 2,-0.0 2,-0.4 -0.582 49.7-172.8 -81.5 133.8 6.7 -1.1 -7.5 8 9 A W E -A 27 0A 73 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.994 13.6-143.8-130.2 130.1 9.4 -1.9 -4.9 9 10 A D E -A 26 0A 90 17,-3.4 17,-2.8 -2,-0.4 2,-1.1 -0.815 11.3-137.9 -98.0 125.9 12.4 -4.1 -5.4 10 11 A L E +A 25 0A 98 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.708 30.8 171.6 -81.7 99.9 13.7 -6.2 -2.6 11 12 A V E - 0 0 90 13,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.974 54.1 -14.4 -77.6 -59.5 17.5 -5.7 -2.9 12 13 A Q E -A 24 0A 115 12,-0.6 12,-3.1 0, 0.0 2,-0.3 -0.984 66.2 -99.7-149.0 154.6 19.0 -7.4 0.2 13 14 A T E -A 23 0A 58 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.594 22.4-166.8 -76.8 134.9 18.1 -8.8 3.6 14 15 A L E - 0 0 70 8,-3.2 2,-0.2 1,-0.3 9,-0.2 0.652 67.5 -32.5 -95.4 -20.7 18.9 -6.4 6.5 15 16 A G E -A 22 0A 35 7,-1.1 7,-2.3 2,-0.0 2,-0.6 -0.679 50.0-127.6 164.5 142.3 18.5 -9.0 9.3 16 17 A E E +A 21 0A 150 5,-0.2 5,-0.2 -2,-0.2 2,-0.0 -0.920 35.8 167.8-110.1 116.2 16.6 -12.2 10.2 17 18 A G - 0 0 54 3,-1.2 -1,-0.0 -2,-0.6 -2,-0.0 0.030 49.2 -81.6-104.0-150.6 14.8 -12.2 13.5 18 19 A A S S+ 0 0 101 1,-0.1 3,-0.1 -2,-0.0 -2,-0.0 0.876 123.7 46.4 -87.4 -45.0 12.3 -14.4 15.3 19 20 A Y S S- 0 0 116 20,-0.1 21,-1.8 1,-0.1 2,-0.2 0.779 128.0 -82.2 -69.3 -29.5 9.1 -13.0 13.8 20 21 A G E - B 0 39A 26 19,-0.2 -3,-1.2 23,-0.1 2,-0.3 -0.793 64.7 -43.3 168.0-118.7 10.6 -13.2 10.3 21 22 A E E -AB 16 38A 59 17,-1.6 17,-3.3 -5,-0.2 2,-0.5 -0.978 29.5-137.3-147.2 154.9 12.9 -10.9 8.3 22 23 A V E -AB 15 37A 43 -7,-2.3 -8,-3.2 -2,-0.3 -7,-1.1 -0.980 27.0-168.1-116.6 125.6 13.6 -7.3 7.4 23 24 A Q E -AB 13 36A 25 13,-2.5 13,-2.8 -2,-0.5 2,-0.6 -0.860 24.8-118.4-117.0 147.2 14.4 -6.5 3.8 24 25 A L E -AB 12 35A 14 -12,-3.1 -13,-2.1 -2,-0.3 -12,-0.6 -0.744 32.5-163.6 -80.7 119.1 15.8 -3.4 2.0 25 26 A A E -AB 10 34A 0 9,-3.5 9,-3.2 -2,-0.6 2,-0.4 -0.922 5.0-167.5-109.5 129.3 13.2 -2.2 -0.5 26 27 A V E -AB 9 33A 33 -17,-2.8 -17,-3.4 -2,-0.5 7,-0.2 -0.967 24.8-116.8-119.0 128.6 14.1 0.2 -3.3 27 28 A N E > -A 8 0A 4 5,-2.3 4,-0.6 -2,-0.4 -19,-0.2 -0.322 14.6-135.1 -63.9 141.5 11.5 2.0 -5.5 28 29 A R T 4 S+ 0 0 120 -21,-2.1 -23,-0.1 -24,-0.3 -1,-0.1 0.884 98.3 21.5 -63.6 -43.4 11.5 1.2 -9.2 29 30 A V T 4 S+ 0 0 70 -25,-0.4 -24,-0.1 -22,-0.3 -1,-0.1 0.927 132.7 32.3 -92.9 -58.0 11.2 4.8 -10.4 30 31 A T T 4 S- 0 0 84 -25,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.681 89.7-134.9 -80.0 -19.9 12.4 7.2 -7.6 31 32 A E < + 0 0 153 -4,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.660 44.8 164.3 67.9 20.3 15.1 4.8 -6.2 32 33 A E - 0 0 92 -6,-0.1 -5,-2.3 1,-0.1 2,-0.5 -0.500 31.4-135.9 -69.8 131.6 13.8 5.7 -2.7 33 34 A A E +B 26 0A 35 -2,-0.2 50,-0.6 -7,-0.2 2,-0.3 -0.806 31.0 164.2 -97.2 124.9 15.0 3.2 -0.0 34 35 A V E -BC 25 82A 4 -9,-3.2 -9,-3.5 -2,-0.5 2,-0.4 -0.945 33.0-121.0-132.1 156.5 12.6 1.8 2.6 35 36 A A E -BC 24 81A 10 46,-2.4 46,-3.4 -2,-0.3 2,-0.5 -0.832 20.7-156.0 -99.1 136.6 12.7 -1.1 5.1 36 37 A V E -BC 23 80A 3 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.6 -0.955 4.4-150.7-116.8 118.7 10.1 -3.8 4.9 37 38 A K E -BC 22 79A 13 42,-2.8 42,-2.2 -2,-0.5 2,-0.6 -0.792 10.9-160.7 -89.5 118.5 9.3 -5.9 8.0 38 39 A I E +BC 21 78A 19 -17,-3.3 -17,-1.6 -2,-0.6 2,-0.4 -0.896 13.6 176.0-104.1 119.4 8.1 -9.4 7.1 39 40 A V E -BC 20 77A 8 38,-1.7 38,-1.9 -2,-0.6 2,-0.6 -0.989 26.9-133.8-129.1 126.5 6.2 -11.2 9.9 40 41 A D E - C 0 76A 65 -21,-1.8 36,-0.1 -2,-0.4 -2,-0.0 -0.694 14.8-171.6 -80.7 115.6 4.5 -14.6 9.6 41 42 A M S S+ 0 0 42 -2,-0.6 -1,-0.2 34,-0.6 35,-0.1 0.789 90.7 41.1 -75.1 -30.4 1.0 -14.5 11.2 42 43 A K 0 0 78 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.549 360.0 360.0 -93.4 -11.8 0.6 -18.3 10.9 43 44 A R 0 0 103 -24,-0.1 -23,-0.1 2,-0.1 -2,-0.1 0.330 360.0 360.0-135.4 360.0 4.2 -19.1 11.9 44 ! 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 45 48 A C 0 0 73 0, 0.0 4,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 110.1 1.1 -14.4 15.9 46 49 A P + 0 0 94 0, 0.0 4,-0.1 0, 0.0 -5,-0.1 0.400 360.0 47.1 -90.5 2.2 -2.1 -12.6 15.0 47 50 A E S > S+ 0 0 139 2,-0.1 4,-1.1 3,-0.1 5,-0.1 0.810 104.9 49.7-109.0 -48.6 -2.3 -10.5 18.2 48 51 A N H > S+ 0 0 46 1,-0.2 4,-0.6 2,-0.2 -1,-0.0 0.660 112.1 50.5 -71.3 -18.0 1.2 -8.9 18.8 49 52 A I H > S+ 0 0 5 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.786 102.8 57.2 -89.4 -31.7 1.4 -7.6 15.2 50 53 A K H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.808 108.6 47.8 -69.8 -31.4 -2.0 -5.8 15.1 51 54 A K H X S+ 0 0 78 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.808 107.5 57.2 -74.9 -33.0 -1.1 -3.7 18.1 52 55 A E H X S+ 0 0 9 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.886 109.6 43.6 -64.4 -42.5 2.3 -2.9 16.5 53 56 A I H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.902 112.4 54.7 -67.2 -42.9 0.6 -1.5 13.4 54 57 A C H X S+ 0 0 72 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.903 112.0 42.0 -57.6 -47.3 -1.9 0.4 15.6 55 58 A I H >X S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 4,-1.0 0.924 110.7 56.3 -67.6 -45.4 0.8 2.1 17.7 56 59 A N H 3< S+ 0 0 4 -4,-2.0 11,-0.3 1,-0.3 3,-0.2 0.786 100.3 60.7 -55.9 -31.6 3.0 2.9 14.6 57 60 A K H 3< S+ 0 0 130 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.757 104.0 49.7 -67.1 -27.9 -0.0 4.7 13.1 58 61 A M H << S+ 0 0 79 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.750 94.1 92.8 -80.7 -27.3 -0.1 7.2 16.0 59 62 A L < + 0 0 15 -4,-1.0 8,-0.4 -3,-0.2 2,-0.2 -0.527 34.4 156.8 -87.9 134.0 3.6 8.1 15.9 60 63 A N + 0 0 116 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.713 26.8 127.7-150.6 94.4 5.2 11.0 14.1 61 64 A H > - 0 0 27 3,-0.3 3,-1.5 -2,-0.2 53,-0.1 -0.995 61.2-122.7-150.7 150.4 8.6 12.1 15.4 62 65 A E T 3 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.725 114.5 46.5 -64.5 -25.9 12.1 12.8 14.2 63 66 A N T 3 S+ 0 0 14 79,-0.1 80,-2.7 50,-0.1 2,-0.4 0.069 101.2 80.1-106.3 21.3 13.6 10.3 16.7 64 67 A V B < S-e 143 0B 3 -3,-1.5 -3,-0.3 78,-0.3 80,-0.2 -0.997 92.4-104.6-127.2 132.4 11.1 7.6 16.0 65 68 A V - 0 0 9 78,-2.4 -6,-0.1 -2,-0.4 -2,-0.1 -0.382 47.1-116.6 -56.0 121.4 11.3 5.2 12.9 66 69 A K - 0 0 65 -2,-0.2 16,-2.0 -4,-0.1 2,-0.5 -0.301 17.9-141.6 -67.6 143.6 8.6 6.5 10.5 67 70 A F E +D 81 0A 32 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.942 22.4 172.7-109.1 120.0 5.7 4.3 9.5 68 71 A Y E - 0 0 115 12,-2.4 2,-0.3 -2,-0.5 -1,-0.1 0.858 55.3 -63.5 -93.4 -43.6 4.6 4.6 5.9 69 72 A G E -D 80 0A 20 11,-1.0 11,-2.5 2,-0.0 2,-0.3 -0.972 39.8-111.1 172.8 179.3 2.0 1.8 5.6 70 73 A H E -D 79 0A 49 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -1.000 13.8-158.0-141.8 137.7 1.1 -1.9 5.8 71 74 A R E -D 78 0A 110 7,-1.7 7,-2.7 -2,-0.3 2,-0.6 -0.951 6.4-155.8-117.1 134.7 0.1 -4.5 3.2 72 75 A R E +D 77 0A 164 -2,-0.4 2,-1.4 5,-0.2 5,-0.2 -0.593 16.4 178.8-109.7 68.5 -1.8 -7.7 4.1 73 76 A E E > -D 76 0A 139 -2,-0.6 3,-1.1 3,-0.6 2,-0.9 -0.565 64.3 -64.1 -75.5 91.8 -0.9 -10.1 1.3 74 77 A G T 3 S- 0 0 81 -2,-1.4 -1,-0.0 1,-0.3 -2,-0.0 -0.553 115.5 -17.1 71.4-103.6 -2.8 -13.2 2.3 75 78 A N T 3 S+ 0 0 88 -2,-0.9 -34,-0.6 2,-0.0 2,-0.3 0.746 117.5 86.9-103.3 -35.6 -1.2 -14.4 5.5 76 79 A I E < -CD 40 73A 54 -3,-1.1 -3,-0.6 -36,-0.1 2,-0.5 -0.514 66.3-147.0 -73.9 129.8 2.1 -12.4 5.5 77 80 A Q E -CD 39 72A 2 -38,-1.9 -38,-1.7 -2,-0.3 2,-0.5 -0.870 8.4-156.5 -98.6 128.0 2.0 -8.9 7.0 78 81 A Y E -CD 38 71A 55 -7,-2.7 -7,-1.7 -2,-0.5 2,-0.6 -0.917 3.4-163.6-107.6 123.8 4.3 -6.3 5.4 79 82 A L E -CD 37 70A 0 -42,-2.2 -42,-2.8 -2,-0.5 2,-0.7 -0.918 7.9-152.2-111.9 110.5 5.4 -3.3 7.5 80 83 A F E +CD 36 69A 26 -11,-2.5 -12,-2.4 -2,-0.6 -11,-1.0 -0.718 28.4 169.0 -85.2 114.0 6.8 -0.4 5.5 81 84 A L E -CD 35 67A 21 -46,-3.4 -46,-2.4 -2,-0.7 -14,-0.2 -0.821 41.1 -80.4-127.3 162.5 9.2 1.6 7.7 82 85 A E E -C 34 0A 23 -16,-2.0 2,-0.4 -2,-0.3 -48,-0.1 -0.410 47.6-122.7 -62.0 126.8 11.9 4.3 7.5 83 86 A Y - 0 0 64 -50,-0.6 2,-0.7 -2,-0.2 -1,-0.1 -0.620 21.7-164.1 -76.8 126.0 15.2 3.0 6.3 84 87 A C > - 0 0 12 -2,-0.4 3,-1.5 52,-0.1 51,-0.3 -0.863 5.6-175.0-114.6 94.9 18.0 3.7 8.7 85 88 A S T 3 S+ 0 0 57 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.675 74.8 68.8 -67.6 -22.5 21.3 3.1 6.9 86 89 A G T 3 S- 0 0 33 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.580 94.1-146.6 -73.7 -10.7 23.6 3.6 9.9 87 90 A G E < -F 135 0B 29 -3,-1.5 48,-2.8 48,-0.7 -1,-0.2 -0.401 42.2 -17.0 79.2-155.5 22.4 0.4 11.5 88 91 A E E > -F 134 0B 69 46,-0.2 3,-0.7 1,-0.1 4,-0.3 -0.566 49.0-129.0 -89.2 150.0 22.0 -0.2 15.2 89 92 A L G > S+ 0 0 0 44,-2.9 3,-1.3 41,-1.0 4,-0.5 0.782 105.7 73.1 -60.9 -29.8 23.5 1.8 18.0 90 93 A F G > S+ 0 0 93 40,-1.2 3,-1.4 43,-0.3 -1,-0.2 0.891 93.4 50.4 -49.3 -48.1 24.8 -1.6 19.3 91 94 A D G < S+ 0 0 116 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.556 103.5 60.4 -75.5 -8.2 27.4 -1.8 16.6 92 95 A R G < S+ 0 0 72 -3,-1.3 2,-0.7 -4,-0.3 -1,-0.3 0.502 86.9 90.0 -92.2 -7.9 28.6 1.7 17.4 93 96 A I S < S- 0 0 22 -3,-1.4 6,-0.2 -4,-0.5 105,-0.1 -0.828 74.5-142.4 -92.6 116.3 29.5 0.5 21.0 94 97 A E B >> -H 98 0C 86 4,-2.8 4,-3.3 -2,-0.7 3,-2.0 -0.675 31.9-103.4 -78.6 124.6 33.0 -0.8 21.2 95 98 A P T 34 S- 0 0 111 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.255 98.1 -3.6 -55.2 127.2 33.2 -3.8 23.6 96 99 A D T 34 S+ 0 0 92 105,-3.3 105,-0.2 1,-0.1 106,-0.1 0.458 136.2 54.6 66.7 7.2 34.6 -2.9 27.0 97 100 A I T <4 S- 0 0 124 -3,-2.0 2,-0.6 104,-0.1 104,-0.3 0.576 80.4-163.5-129.1 -39.9 35.4 0.7 26.0 98 101 A G B < -H 94 0C 0 -4,-3.3 -4,-2.8 102,-0.2 101,-0.2 -0.807 36.4 -59.6 96.6-119.9 32.1 2.2 24.7 99 102 A M - 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0 0 116 -7,-3.5 24,-0.3 -2,-0.2 2,-0.2 -0.939 15.1-133.5-105.1 125.5 -3.0 2.6 33.5 160 163 A L - 0 0 63 -2,-0.5 2,-0.2 22,-0.1 22,-0.2 -0.562 22.2-127.0 -76.3 140.5 -0.6 0.6 35.7 161 164 A L B +K 181 0F 2 20,-2.7 20,-2.2 -2,-0.2 -1,-0.1 -0.627 35.0 164.6 -91.8 147.5 1.4 -2.2 34.0 162 165 A N + 0 0 102 -2,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.436 45.6 106.3-131.8 -15.3 1.5 -5.8 35.2 163 166 A K - 0 0 99 1,-0.1 2,-0.8 2,-0.0 -2,-0.0 -0.525 64.8-136.5 -72.6 131.1 2.9 -7.6 32.2 164 167 A M + 0 0 129 -2,-0.3 2,-0.3 12,-0.0 -1,-0.1 -0.824 47.0 134.2 -90.8 110.0 6.5 -8.7 32.4 165 168 A C + 0 0 20 -2,-0.8 2,-0.3 -39,-0.1 10,-0.0 -0.951 20.5 63.6-149.2 172.0 8.3 -7.9 29.2 166 169 A G S S- 0 0 30 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.2 -0.870 86.7 -44.2 115.2-150.8 11.5 -6.4 27.7 167 170 A T >> - 0 0 33 -2,-0.3 3,-2.1 -41,-0.1 4,-0.9 -0.992 45.7-130.0-129.8 123.8 15.1 -7.6 28.1 168 171 A L G >4 S+ 0 0 82 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.763 104.9 48.8 -43.4 -50.0 16.5 -8.7 31.4 169 172 A P G 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.742 119.8 40.5 -64.1 -22.1 19.8 -6.6 31.5 170 173 A Y G <4 S+ 0 0 12 -3,-2.1 -2,-0.2 36,-0.1 23,-0.2 0.442 93.3 111.6-103.5 -4.8 17.7 -3.5 30.6 171 174 A V << - 0 0 9 -4,-0.9 -5,-0.1 -3,-0.7 16,-0.0 -0.444 68.9-119.8 -78.2 140.4 14.7 -4.3 32.8 172 175 A A >> - 0 0 0 -2,-0.2 3,-1.0 1,-0.1 4,-0.6 -0.538 23.3-120.0 -75.6 146.7 13.9 -2.2 35.9 173 176 A P H >> S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.801 105.5 66.0 -58.7 -34.5 13.9 -4.0 39.3 174 177 A E H 3> S+ 0 0 6 71,-0.3 4,-3.3 1,-0.3 6,-0.0 0.776 94.1 57.3 -62.5 -31.3 10.2 -3.2 40.0 175 178 A L H <4 S+ 0 0 11 -3,-1.0 -1,-0.3 1,-0.2 6,-0.0 0.743 112.8 41.7 -73.8 -20.5 8.9 -5.4 37.2 176 179 A L H << S+ 0 0 62 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.616 125.6 36.4 -90.2 -17.8 10.7 -8.4 38.6 177 180 A K H < S+ 0 0 80 -4,-1.1 2,-0.3 1,-0.1 -2,-0.2 0.759 110.9 52.3-106.6 -33.0 9.7 -7.4 42.2 178 181 A R < - 0 0 160 -4,-3.3 3,-0.1 -5,-0.2 -1,-0.1 -0.777 64.0-136.7-117.5 153.9 6.2 -6.0 42.1 179 182 A R S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.876 95.0 24.7 -70.8 -40.5 2.8 -7.1 40.7 180 183 A E S S+ 0 0 82 -6,-0.0 2,-0.3 -18,-0.0 -18,-0.2 -0.955 70.6 170.5-129.8 148.2 2.0 -3.6 39.3 181 184 A F B -K 161 0F 13 -20,-2.2 -20,-2.7 -2,-0.3 2,-0.2 -0.994 36.5 -98.1-155.4 153.0 4.2 -0.7 38.3 182 185 A H > - 0 0 83 -2,-0.3 4,-0.5 -22,-0.2 -22,-0.1 -0.493 28.8-139.8 -72.2 144.0 4.3 2.7 36.5 183 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.3 -2,-0.2 3,-0.5 0.892 89.7 58.9 -73.3 -43.9 5.3 2.6 32.9 184 187 A E H 3> S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.880 101.0 50.8 -62.1 -47.9 7.5 5.8 32.6 185 188 A P H 3> S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.773 105.9 60.0 -62.2 -25.7 10.2 5.0 35.2 186 189 A V H - 0 0 19 -2,-2.2 3,-1.3 1,-0.1 6,-0.3 -0.854 69.9-123.9-120.8 155.2 18.1 -8.6 41.4 210 213 A D T 3 S+ 0 0 91 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.757 113.7 62.4 -64.3 -26.6 19.5 -8.9 45.0 211 214 A S T 3 S+ 0 0 108 4,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.644 86.8 88.6 -71.4 -17.4 20.7 -12.4 43.9 212 215 A C <> - 0 0 14 -3,-1.3 4,-1.8 1,-0.2 3,-0.3 -0.779 68.2-156.2 -87.5 116.2 22.9 -10.6 41.4 213 216 A Q H > S+ 0 0 115 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.867 91.9 54.2 -58.1 -42.4 26.3 -9.7 42.9 214 217 A E H > S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.842 109.5 47.6 -63.8 -36.8 27.0 -6.9 40.4 215 218 A Y H > S+ 0 0 1 -3,-0.3 4,-1.6 -6,-0.3 -1,-0.2 0.848 109.6 53.3 -72.3 -36.2 23.6 -5.2 41.2 216 219 A S H X S+ 0 0 23 -4,-1.8 4,-1.1 -7,-0.2 -2,-0.2 0.841 105.6 54.2 -66.4 -35.6 24.2 -5.5 45.0 217 220 A D H <>S+ 0 0 20 -4,-1.8 5,-2.9 2,-0.2 -1,-0.2 0.820 106.1 52.7 -67.0 -33.5 27.6 -3.8 44.6 218 221 A W H ><5S+ 0 0 13 -4,-1.0 3,-1.4 3,-0.2 -2,-0.2 0.879 107.3 50.3 -68.9 -41.5 25.9 -0.8 42.8 219 222 A K H 3<5S+ 0 0 73 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 109.2 53.2 -65.9 -26.3 23.4 -0.5 45.7 220 223 A E T 3<5S- 0 0 121 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.341 117.2-120.8 -87.4 3.1 26.5 -0.5 48.0 221 224 A K T < 5 + 0 0 149 -3,-1.4 2,-2.0 1,-0.2 -3,-0.2 0.802 52.2 162.6 60.4 36.1 27.9 2.3 45.8 222 225 A K > < + 0 0 58 -5,-2.9 3,-1.4 1,-0.2 6,-0.2 -0.482 4.2 158.1 -82.2 68.4 31.0 0.4 44.8 223 226 A T T 3 + 0 0 42 -2,-2.0 -1,-0.2 1,-0.3 -5,-0.1 0.486 58.7 78.6 -75.4 -2.7 31.8 2.7 41.9 224 227 A Y T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.475 78.5 98.1 -80.1 -3.9 35.4 1.6 41.9 225 228 A L S <> S- 0 0 62 -3,-1.4 4,-1.9 -8,-0.1 3,-0.4 -0.456 94.0 -76.9 -89.6 165.2 34.3 -1.6 40.1 226 229 A N H > S+ 0 0 81 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.621 118.4 32.5 -33.5 -65.7 34.5 -2.3 36.4 227 230 A P H >4 S+ 0 0 13 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.938 122.1 44.0 -65.6 -47.9 31.7 -0.5 34.6 228 231 A W H >> S+ 0 0 11 -3,-0.4 3,-1.3 1,-0.2 4,-0.6 0.773 104.6 61.7 -72.2 -30.4 31.4 2.6 36.9 229 232 A K H 3< S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.666 102.7 53.1 -71.0 -15.9 35.1 3.3 37.2 230 233 A K T << S+ 0 0 73 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.317 97.5 71.2 -96.7 6.8 35.4 3.9 33.4 231 234 A I T <4 S- 0 0 7 -3,-1.3 -2,-0.1 -4,-0.0 -1,-0.1 0.916 89.3-121.0 -97.1 -47.9 32.6 6.5 33.2 232 235 A D X - 0 0 80 -4,-0.6 4,-2.2 1,-0.1 5,-0.2 0.083 27.7 -91.2 103.4 142.4 33.6 9.8 34.8 233 236 A S H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.827 115.8 53.2 -54.8 -47.2 32.0 11.8 37.6 234 237 A A H > S+ 0 0 5 2,-0.2 4,-1.0 1,-0.2 27,-0.4 0.947 116.8 34.3 -60.4 -57.8 29.6 13.9 35.7 235 238 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 116.7 57.5 -65.7 -33.1 27.7 11.2 33.7 236 239 A L H X S+ 0 0 17 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.851 101.1 56.9 -62.2 -37.4 28.1 8.8 36.6 237 240 A A H X S+ 0 0 30 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.834 108.0 47.0 -62.2 -35.9 26.2 11.3 38.8 238 241 A L H >X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 3,-1.0 0.902 109.6 53.7 -69.5 -42.6 23.3 11.2 36.4 239 242 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.829 102.3 58.7 -60.2 -35.1 23.5 7.4 36.4 240 243 A H H 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.745 110.1 43.9 -63.0 -27.3 23.3 7.5 40.2 241 244 A K H << S+ 0 0 80 -3,-1.0 10,-1.8 -4,-0.5 3,-0.3 0.764 117.1 43.9 -89.6 -31.0 19.9 9.3 39.8 242 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.7 1,-0.2 -2,-0.2 0.909 105.9 59.1 -79.1 -47.2 18.5 7.1 37.0 243 246 A L S < S+ 0 0 5 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.328 73.0 141.1 -87.1 56.8 19.5 3.7 38.4 244 247 A V - 0 0 39 -2,-1.7 6,-0.1 -3,-0.3 -3,-0.1 -0.877 50.3-141.6-101.1 126.6 17.5 4.1 41.6 245 248 A E S S+ 0 0 66 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.899 87.6 71.4 -54.4 -51.2 15.7 0.9 42.9 246 249 A N S >> S- 0 0 87 1,-0.2 4,-0.8 -73,-0.1 3,-0.6 -0.611 71.5-157.0 -69.8 113.8 12.6 2.8 44.1 247 250 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.707 92.7 57.6 -66.5 -20.9 10.8 3.9 40.9 248 251 A S T 34 S+ 0 0 103 1,-0.2 -2,-0.1 -63,-0.0 -3,-0.0 0.774 110.6 41.7 -77.7 -29.8 9.1 6.7 42.9 249 252 A A T <4 S+ 0 0 67 -3,-0.6 -1,-0.2 2,-0.1 2,-0.1 0.497 93.7 112.6 -92.8 -7.5 12.4 8.1 44.0 250 253 A R S < S- 0 0 10 -4,-0.8 -8,-0.2 -6,-0.1 -9,-0.1 -0.392 78.8-100.1 -67.1 140.4 13.8 7.6 40.5 251 254 A I - 0 0 23 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.308 34.8-138.4 -59.6 140.2 14.6 10.8 38.4 252 255 A T > - 0 0 74 -3,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.535 24.5-106.5 -92.4 167.7 12.0 11.8 35.8 253 256 A I H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.910 117.9 59.2 -64.4 -44.9 12.9 13.0 32.3 254 257 A P H 4 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.826 112.1 43.7 -49.8 -32.6 12.0 16.7 33.0 255 258 A D H >4 S+ 0 0 79 -3,-0.4 3,-0.7 2,-0.2 4,-0.3 0.733 106.0 59.4 -86.6 -26.0 14.7 16.5 35.8 256 259 A I H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.3 6,-0.2 0.869 100.6 58.1 -64.5 -37.2 17.2 14.6 33.5 257 260 A K T 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.621 104.5 52.0 -66.9 -14.1 17.0 17.6 31.2 258 261 A K T < S+ 0 0 145 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.495 85.6 121.6 -96.5 -8.1 18.2 19.7 34.2 259 262 A D <> - 0 0 3 -3,-1.3 4,-1.7 -4,-0.3 5,-0.1 -0.246 68.0-126.9 -64.7 143.0 21.2 17.5 34.9 260 263 A R T 4 S+ 0 0 145 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.911 108.9 41.7 -53.2 -54.1 24.7 18.9 34.8 261 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.874 109.7 59.3 -65.7 -39.2 26.2 16.3 32.4 262 265 A Y T 34 S+ 0 0 25 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.859 113.9 37.6 -55.4 -38.8 23.1 16.5 30.2 263 266 A N T 3< S+ 0 0 101 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.235 90.0 119.6 -99.8 11.8 23.6 20.2 29.7 264 267 A K < - 0 0 83 -3,-1.4 2,-0.4 -5,-0.1 -3,-0.0 -0.675 68.0-122.8 -81.9 124.4 27.4 20.0 29.5 265 268 A P + 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.541 60.5 128.9 -68.6 121.4 28.9 21.3 26.2 266 269 A L + 0 0 54 -2,-0.4 2,-0.5 1,-0.2 -163,-0.1 0.508 46.6 73.8-142.2 -33.1 31.0 18.5 24.7 267 270 A K - 0 0 88 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.833 57.7-151.8-109.2 128.4 30.0 17.9 21.1 268 271 A K - 0 0 188 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.416 27.7-106.6 -83.1 166.6 30.8 20.0 18.0 269 272 A G - 0 0 74 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.305 60.4 -37.7 -74.9-155.0 28.6 20.1 14.9 270 273 A A S S- 0 0 65 1,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.292 78.9 -79.7 -69.0 156.0 29.1 18.6 11.5 271 274 A K S S- 0 0 100 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 -0.436 101.9 -36.4 -64.5 99.0 32.5 18.6 9.8 272 275 A R 0 0 114 -2,-0.9 -1,-0.3 1,-0.2 -2,-0.0 0.698 360.0 360.0 56.8 25.5 32.9 22.1 8.5 273 276 A P 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.348 360.0 360.0-135.1 360.0 29.2 22.2 7.6