==== 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 2WMV . 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, . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 68.5 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 . 46 18.3 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 . 3 1.2 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 . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.9 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 2 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 2 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 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 7 A E 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 22.3 1.1 -4.6 -8.4 2 8 A D + 0 0 87 2,-0.0 17,-3.0 16,-0.0 2,-0.4 0.430 360.0 92.8 -89.6 -1.3 3.4 -1.9 -9.8 3 9 A W E -A 18 0A 63 15,-0.2 2,-0.5 16,-0.1 15,-0.2 -0.810 60.9-155.7-102.2 133.1 6.1 -2.8 -7.2 4 10 A D E -A 17 0A 84 13,-2.2 13,-2.4 -2,-0.4 2,-1.2 -0.889 21.3-130.1-102.7 131.8 8.9 -5.3 -7.7 5 11 A L E +A 16 0A 75 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.701 28.7 179.9 -86.8 97.7 10.3 -6.8 -4.5 6 12 A V E - 0 0 85 -2,-1.2 2,-0.3 9,-1.2 -1,-0.2 0.873 57.4 -16.4 -64.9 -44.4 14.0 -6.3 -4.9 7 13 A Q E -A 15 0A 105 8,-0.9 8,-3.4 0, 0.0 2,-0.8 -0.990 65.8 -97.7-160.2 163.8 15.3 -7.9 -1.6 8 14 A T E -A 14 0A 71 -2,-0.3 6,-0.3 6,-0.3 -3,-0.0 -0.792 28.6-173.8 -92.5 108.9 14.3 -9.1 1.8 9 15 A L 0 0 72 4,-0.9 5,-0.2 -2,-0.8 -1,-0.2 0.900 360.0 360.0 -66.2 -43.8 15.1 -6.4 4.4 10 16 A G 0 0 76 3,-1.7 3,-1.0 0, 0.0 -1,-0.2 -0.745 360.0 360.0-138.8 360.0 14.3 -8.5 7.4 11 ! 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 12 22 A E 0 0 102 0, 0.0 17,-4.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.6 8.8 -10.7 6.4 13 23 A V E - B 0 28A 36 -3,-1.0 -3,-1.7 15,-0.3 -4,-0.9 -0.960 360.0-172.5-117.6 132.1 9.7 -7.3 5.1 14 24 A Q E -AB 8 27A 32 13,-2.6 13,-3.0 -2,-0.4 2,-0.3 -0.949 28.3-114.7-126.3 145.5 11.0 -6.7 1.6 15 25 A L E -AB 7 26A 11 -8,-3.4 -9,-1.2 -2,-0.4 -8,-0.9 -0.616 36.8-164.1 -74.7 132.7 12.3 -3.7 -0.2 16 26 A A E -AB 5 25A 0 9,-3.5 9,-2.6 -2,-0.3 2,-0.5 -0.973 10.3-165.3-124.2 133.9 10.0 -2.7 -3.0 17 27 A V E -AB 4 24A 20 -13,-2.4 -13,-2.2 -2,-0.4 2,-0.3 -0.972 22.7-127.1-120.3 125.4 10.7 -0.4 -5.9 18 28 A N E > -A 3 0A 19 5,-2.5 4,-2.0 -2,-0.5 -15,-0.2 -0.523 11.6-143.6 -70.8 132.0 7.9 1.0 -8.0 19 29 A R T 4 S+ 0 0 121 -17,-3.0 -1,-0.1 -2,-0.3 -16,-0.1 0.871 96.5 43.1 -63.9 -41.9 8.4 0.3 -11.7 20 30 A V T 4 S+ 0 0 117 -18,-0.3 -1,-0.2 1,-0.1 -17,-0.0 0.932 130.4 19.9 -68.9 -47.0 6.9 3.7 -12.8 21 31 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.603 88.6-133.1-102.8 -17.9 8.5 6.1 -10.2 22 32 A E < + 0 0 137 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.600 51.2 158.0 72.6 10.6 11.4 4.0 -9.0 23 33 A E - 0 0 95 -6,-0.1 -5,-2.5 -5,-0.1 2,-0.5 -0.381 35.1-136.5 -66.8 144.6 10.4 5.0 -5.5 24 34 A A E +B 17 0A 39 -7,-0.2 45,-0.6 -3,-0.1 2,-0.3 -0.922 32.4 156.5-112.1 129.5 11.6 2.7 -2.8 25 35 A V E -BC 16 68A 1 -9,-2.6 -9,-3.5 -2,-0.5 2,-0.4 -0.855 38.3-112.5-135.6 168.5 9.4 1.5 0.1 26 36 A A E -BC 15 67A 7 41,-3.1 41,-2.9 -2,-0.3 2,-0.5 -0.907 23.9-155.0-108.6 138.1 9.3 -1.4 2.4 27 37 A V E -BC 14 66A 2 -13,-3.0 -13,-2.6 -2,-0.4 2,-0.7 -0.950 4.9-149.8-118.7 119.9 6.6 -4.0 2.3 28 38 A K E -BC 13 65A 28 37,-2.2 37,-1.5 -2,-0.5 2,-0.7 -0.773 13.7-159.8 -88.1 114.9 5.7 -6.1 5.3 29 39 A I E + C 0 64A 30 -17,-4.4 2,-0.4 -2,-0.7 35,-0.2 -0.855 17.5 168.3-101.3 113.5 4.4 -9.5 4.2 30 40 A V E - C 0 63A 46 33,-1.5 33,-1.5 -2,-0.7 2,-0.4 -0.965 20.3-155.6-130.2 118.5 2.3 -11.4 6.7 31 41 A D E C 0 62A 130 -2,-0.4 31,-0.2 31,-0.2 -2,-0.0 -0.767 360.0 360.0 -91.9 134.9 0.2 -14.5 6.1 32 42 A M 0 0 142 29,-1.4 -1,-0.2 -2,-0.4 30,-0.1 0.896 360.0 360.0 -97.2 360.0 -2.7 -15.1 8.4 33 ! 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 34 51 A N > 0 0 163 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -52.0 -3.0 -8.5 15.5 35 52 A I H > + 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 360.0 55.5 -63.4 -37.8 -2.2 -7.5 11.9 36 53 A K H > S+ 0 0 160 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 108.3 45.9 -63.4 -43.2 -5.5 -5.6 11.9 37 54 A K H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.906 110.1 53.8 -65.6 -41.9 -4.6 -3.5 15.0 38 55 A E H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.929 111.4 46.3 -58.7 -46.0 -1.1 -2.8 13.6 39 56 A I H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.926 113.1 49.3 -60.7 -47.1 -2.8 -1.4 10.5 40 57 A C H X S+ 0 0 76 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.938 113.4 45.8 -57.5 -50.2 -5.3 0.6 12.5 41 58 A I H >X S+ 0 0 4 -4,-3.3 3,-0.9 1,-0.2 4,-0.6 0.925 108.7 56.7 -61.0 -42.1 -2.6 2.1 14.7 42 59 A N H >< S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.3 11,-0.3 0.867 98.7 60.5 -59.0 -39.0 -0.4 2.9 11.7 43 60 A K H 3< S+ 0 0 128 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.813 101.2 54.6 -60.4 -34.7 -3.1 4.9 10.1 44 61 A M H << S+ 0 0 82 -3,-0.9 2,-0.3 -4,-0.9 -1,-0.3 0.702 91.7 98.6 -65.0 -25.1 -3.2 7.3 13.1 45 62 A L << + 0 0 17 -3,-1.5 8,-0.4 -4,-0.6 2,-0.2 -0.549 31.7 150.4 -86.3 128.9 0.6 8.0 12.8 46 63 A N + 0 0 125 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.639 26.9 121.8-151.9 91.6 2.2 11.0 11.2 47 64 A H > - 0 0 28 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.991 62.5-122.8-152.8 146.4 5.6 12.1 12.6 48 65 A E T 3 S+ 0 0 120 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.580 112.6 50.2 -68.6 -10.5 9.1 12.6 11.2 49 66 A N T 3 S+ 0 0 13 50,-0.1 80,-2.7 79,-0.1 2,-0.4 0.060 99.3 76.7-114.8 23.1 10.5 10.1 13.7 50 67 A V B < S-e 129 0B 2 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.999 94.6-100.5-132.7 130.5 8.0 7.3 13.1 51 68 A V - 0 0 7 78,-2.4 -6,-0.1 -2,-0.4 -2,-0.1 -0.270 48.1-120.1 -49.6 118.1 8.1 5.0 10.1 52 69 A K - 0 0 92 -4,-0.1 16,-2.7 1,-0.1 2,-0.5 -0.354 16.3-141.9 -68.1 142.2 5.5 6.4 7.7 53 70 A F E +D 67 0A 32 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.910 22.8 173.6-104.8 122.5 2.6 4.2 6.7 54 71 A Y E - 0 0 109 12,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.904 53.7 -43.1 -96.3 -51.8 1.5 4.7 3.1 55 72 A G E -D 66 0A 26 11,-0.8 11,-3.2 2,-0.0 -1,-0.4 -0.980 41.7-131.5-165.8 167.6 -1.1 2.1 2.4 56 73 A H E -D 65 0A 77 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 13.8-169.9-132.0 144.3 -2.2 -1.5 2.8 57 74 A R E -D 64 0A 39 7,-1.9 7,-2.7 -2,-0.4 2,-0.6 -0.999 9.2-153.7-129.2 132.4 -3.5 -4.0 0.2 58 75 A R E -D 63 0A 65 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.908 11.5-178.3-108.6 120.7 -5.0 -7.3 1.0 59 76 A E E > -D 62 0A 110 3,-3.1 3,-2.7 -2,-0.6 2,-0.1 -0.948 60.9 -54.9-117.6 117.2 -4.8 -10.1 -1.6 60 77 A G T 3 S- 0 0 76 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.381 120.6 -20.9 57.1-127.8 -6.5 -13.4 -0.6 61 78 A N T 3 S+ 0 0 127 -2,-0.1 -29,-1.4 -3,-0.1 2,-0.5 0.381 122.0 93.9 -90.7 1.5 -5.0 -14.4 2.7 62 79 A I E < -CD 31 59A 64 -3,-2.7 -3,-3.1 -31,-0.2 2,-0.4 -0.855 58.6-161.4-102.7 128.3 -1.9 -12.3 2.2 63 80 A Q E -CD 30 58A 23 -33,-1.5 -33,-1.5 -2,-0.5 2,-0.5 -0.903 1.7-157.6-111.8 131.9 -1.8 -8.8 3.6 64 81 A Y E -CD 29 57A 49 -7,-2.7 -7,-1.9 -2,-0.4 2,-0.5 -0.940 3.3-166.3-113.1 125.6 0.7 -6.1 2.4 65 82 A L E -CD 28 56A 0 -37,-1.5 -37,-2.2 -2,-0.5 2,-0.6 -0.939 12.6-147.8-109.5 126.6 1.7 -3.1 4.5 66 83 A F E +CD 27 55A 36 -11,-3.2 -12,-3.0 -2,-0.5 -11,-0.8 -0.839 27.0 173.1 -99.7 121.7 3.5 -0.3 2.7 67 84 A L E -CD 26 53A 18 -41,-2.9 -41,-3.1 -2,-0.6 -14,-0.2 -0.906 39.2 -85.4-133.4 151.2 6.0 1.5 4.9 68 85 A E E -C 25 0A 22 -16,-2.7 2,-0.5 -2,-0.3 -43,-0.2 -0.296 45.0-129.3 -53.9 130.4 8.7 4.2 4.6 69 86 A Y - 0 0 64 -45,-0.6 2,-0.8 -53,-0.1 -1,-0.1 -0.757 15.4-157.9 -88.9 123.9 12.0 2.6 3.6 70 87 A C > - 0 0 11 -2,-0.5 3,-1.2 1,-0.1 51,-0.3 -0.865 7.6-172.4-106.1 104.0 14.9 3.6 5.8 71 88 A S T 3 S+ 0 0 66 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.700 80.8 68.7 -66.6 -24.8 18.2 3.1 3.8 72 89 A G T 3 S- 0 0 22 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.801 93.7-151.4 -62.1 -35.1 20.2 3.8 7.0 73 90 A G E < -F 121 0B 27 48,-1.2 48,-2.4 -3,-1.2 -1,-0.2 -0.421 40.3 -19.7 87.8-169.4 19.1 0.5 8.5 74 91 A E E > -F 120 0B 60 46,-0.2 3,-1.1 -2,-0.1 4,-0.3 -0.430 49.4-128.5 -77.7 151.8 18.7 -0.1 12.2 75 92 A L G > S+ 0 0 0 44,-3.0 3,-1.7 41,-0.8 4,-0.2 0.782 105.3 73.1 -62.0 -28.8 20.4 1.9 15.0 76 93 A F G > S+ 0 0 97 40,-1.1 3,-1.2 43,-0.3 -1,-0.3 0.846 91.8 54.8 -58.8 -37.4 21.6 -1.4 16.4 77 94 A D G < S+ 0 0 118 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.637 100.0 61.5 -70.1 -15.8 24.1 -1.6 13.5 78 95 A R G < S+ 0 0 89 -3,-1.7 2,-0.6 -4,-0.3 -1,-0.2 0.392 86.9 90.9 -90.0 0.3 25.5 1.8 14.5 79 96 A I < - 0 0 23 -3,-1.2 6,-0.2 -4,-0.2 105,-0.1 -0.879 69.6-145.8-103.5 122.1 26.5 0.5 17.9 80 97 A E B >> -H 84 0C 119 4,-2.4 4,-3.1 -2,-0.6 3,-2.0 -0.721 31.9-106.2 -86.4 128.8 30.0 -0.9 18.3 81 98 A P T 34 S+ 0 0 106 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.301 100.3 0.8 -61.7 130.4 30.1 -3.8 20.7 82 99 A D T 34 S+ 0 0 96 105,-2.3 105,-0.2 1,-0.1 106,-0.1 0.335 134.5 59.8 77.0 -3.7 31.7 -2.9 24.0 83 100 A I T <4 S- 0 0 98 -3,-2.0 2,-0.5 104,-0.2 104,-0.3 0.748 76.2-164.4-115.4 -51.9 32.2 0.7 22.7 84 101 A G B < -H 80 0C 2 -4,-3.1 -4,-2.4 102,-0.3 101,-0.2 -0.850 39.6 -65.8 96.2-134.9 28.9 2.2 21.8 85 102 A M - 0 0 20 99,-1.8 5,-0.1 -2,-0.5 -6,-0.1 -0.954 62.5 -63.6-149.2 164.5 29.1 5.3 19.6 86 103 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.307 49.4-122.7 -53.7 134.0 30.4 8.9 19.9 87 104 A E H 3> S+ 0 0 45 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.841 109.6 56.9 -47.3 -44.8 28.4 10.8 22.6 88 105 A P H 3> S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.853 109.3 46.1 -59.0 -34.5 27.3 13.5 20.1 89 106 A D H <> S+ 0 0 76 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.895 111.7 51.3 -74.1 -41.9 25.7 10.9 17.9 90 107 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.925 110.8 48.9 -56.9 -48.0 24.1 9.1 20.8 91 108 A Q H X S+ 0 0 18 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.925 110.7 49.9 -60.8 -46.2 22.6 12.4 22.0 92 109 A R H X S+ 0 0 86 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.914 112.8 46.5 -59.6 -43.8 21.2 13.3 18.6 93 110 A F H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.875 111.6 53.2 -66.3 -37.5 19.6 9.8 18.3 94 111 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.866 107.2 50.2 -64.4 -40.3 18.2 10.2 21.8 95 112 A H H X S+ 0 0 54 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.913 112.6 47.0 -63.6 -43.6 16.6 13.6 21.0 96 113 A Q H X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.858 111.2 52.6 -64.9 -38.3 15.0 12.1 17.9 97 114 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.924 109.2 48.5 -62.5 -47.4 13.8 9.1 20.0 98 115 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.894 109.6 53.5 -60.6 -40.1 12.2 11.4 22.6 99 116 A A H X S+ 0 0 28 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.934 111.0 46.1 -59.1 -46.9 10.5 13.3 19.8 100 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.941 116.0 44.5 -60.2 -49.3 9.1 10.1 18.4 101 118 A V H X S+ 0 0 1 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.886 109.7 54.6 -66.1 -40.8 7.9 8.9 21.8 102 119 A V H X S+ 0 0 60 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.921 110.7 48.6 -57.1 -43.7 6.5 12.2 22.9 103 120 A Y H X S+ 0 0 51 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.954 112.5 46.3 -62.1 -52.5 4.4 12.1 19.7 104 121 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.9 1,-0.2 3,-0.9 0.938 114.4 46.6 -54.7 -51.4 3.2 8.6 20.3 105 122 A H H ><5S+ 0 0 7 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.865 106.8 61.4 -61.8 -32.4 2.3 9.2 23.9 106 123 A G H 3<5S+ 0 0 56 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.751 107.2 42.5 -66.1 -27.7 0.6 12.4 22.8 107 124 A I T <<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.207 124.0-105.3-102.6 17.6 -1.9 10.5 20.7 108 125 A G T < 5S+ 0 0 1 -3,-1.5 30,-2.9 1,-0.2 31,-1.3 0.715 78.1 131.7 71.4 23.6 -2.3 7.9 23.4 109 126 A I E < -I 137 0D 0 -5,-2.9 2,-0.4 28,-0.2 -1,-0.2 -0.910 38.4-163.7-111.6 133.7 -0.2 5.2 21.7 110 127 A T E -I 136 0D 0 26,-2.3 26,-1.8 -2,-0.4 60,-0.1 -0.962 12.0-153.7-113.8 131.3 2.6 3.1 23.4 111 128 A H - 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0 0 76 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.182 30.1-109.0 -63.5 156.4 30.5 9.8 31.4 219 236 A S H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.833 111.9 55.8 -58.9 -39.0 29.1 11.5 34.5 220 237 A A H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 27,-0.4 0.953 113.6 36.5 -62.7 -54.7 26.6 13.7 32.7 221 238 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.852 114.6 58.3 -68.1 -31.6 24.7 11.0 30.8 222 239 A L H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.824 100.4 56.3 -66.4 -33.5 25.0 8.6 33.7 223 240 A A H X S+ 0 0 42 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.883 107.9 48.7 -63.4 -39.1 23.2 11.1 35.9 224 241 A L H >X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 3,-0.9 0.916 109.4 52.1 -64.5 -42.9 20.3 11.0 33.5 225 242 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 -2,-0.2 0.853 102.8 58.9 -64.0 -33.7 20.4 7.2 33.5 226 243 A H H 3< S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.782 109.5 45.6 -60.8 -27.7 20.2 7.3 37.3 227 244 A K H << S+ 0 0 84 -3,-0.9 10,-2.0 -4,-0.8 3,-0.3 0.778 117.5 41.1 -87.2 -28.8 17.0 9.2 36.8 228 245 A I H < S+ 0 0 0 -4,-1.7 2,-1.8 1,-0.2 -2,-0.2 0.894 105.5 61.2 -83.6 -45.6 15.5 6.9 34.1 229 246 A L S < S+ 0 0 5 -4,-2.6 2,-0.5 -5,-0.2 -1,-0.2 -0.257 73.8 140.3 -84.2 52.4 16.5 3.5 35.5 230 247 A V - 0 0 41 -2,-1.8 6,-0.2 -3,-0.3 5,-0.1 -0.854 50.6-143.0-100.9 123.6 14.5 4.0 38.7 231 248 A E S S+ 0 0 66 -2,-0.5 -71,-0.3 1,-0.1 -1,-0.1 0.898 85.9 73.2 -52.5 -49.8 12.6 0.9 40.0 232 249 A N S >> S- 0 0 89 1,-0.2 4,-1.8 -73,-0.1 3,-1.3 -0.576 72.0-155.1 -72.2 107.1 9.6 2.8 41.2 233 250 A P T 34 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.701 94.1 56.0 -57.1 -21.5 7.6 3.9 38.0 234 251 A S T 34 S+ 0 0 111 1,-0.2 -2,-0.1 -63,-0.0 -3,-0.0 0.799 110.7 42.4 -80.2 -30.8 6.1 6.8 40.0 235 252 A A T <4 S+ 0 0 67 -3,-1.3 -1,-0.2 -5,-0.1 3,-0.1 0.684 91.3 111.9 -85.8 -21.3 9.5 8.2 41.0 236 253 A R S < S- 0 0 8 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.199 80.3-100.7 -55.8 140.6 10.9 7.6 37.5 237 254 A I - 0 0 20 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.364 36.8-135.9 -63.4 141.5 11.7 10.7 35.5 238 255 A T > - 0 0 73 -3,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.547 23.3-104.5 -94.9 165.9 9.1 11.7 32.9 239 256 A I H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 117.9 56.5 -58.1 -47.0 9.8 12.9 29.4 240 257 A P H 4 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.867 112.9 44.6 -53.7 -35.5 9.1 16.6 30.1 241 258 A D H >4 S+ 0 0 70 -3,-0.5 3,-1.7 2,-0.2 4,-0.4 0.825 106.1 58.1 -78.6 -33.3 11.8 16.4 32.8 242 259 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 6,-0.2 0.917 99.6 61.1 -57.5 -40.5 14.2 14.4 30.6 243 260 A K T 3< S+ 0 0 80 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.589 105.3 48.3 -61.5 -11.9 13.9 17.4 28.3 244 261 A K T < S+ 0 0 150 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.393 83.7 122.8-107.6 -1.3 15.3 19.5 31.1 245 262 A D <> - 0 0 6 -3,-1.9 4,-1.7 -4,-0.4 5,-0.1 -0.265 67.0-125.8 -62.7 148.5 18.3 17.2 32.0 246 263 A R T 4 S+ 0 0 162 2,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.927 109.3 42.6 -64.4 -48.0 21.8 18.7 31.9 247 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.922 110.2 57.6 -64.8 -43.1 23.3 16.1 29.5 248 265 A Y T 34 S+ 0 0 17 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.901 114.8 38.7 -51.3 -39.3 20.2 16.2 27.3 249 266 A N T 3< S+ 0 0 95 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.359 89.6 117.8 -95.7 5.3 20.7 19.9 26.9 250 267 A K < - 0 0 75 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.0 -0.594 67.7-122.8 -79.2 127.6 24.5 19.8 26.7 251 268 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.519 36.5-168.5 -70.9 133.3 26.0 21.0 23.4 252 269 A L 0 0 52 -2,-0.2 0, 0.0 -164,-0.1 0, 0.0 -0.959 360.0 360.0-134.4 145.6 28.1 18.3 21.7 253 270 A K 0 0 129 -2,-0.3 -164,-0.0 0, 0.0 -1,-0.0 0.307 360.0 360.0 -42.8 360.0 30.5 18.0 18.8