==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-03 1NVS . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,M.J.BOWER,P.J.MCDEVITT,H.ZHAO,S.T.DAVIS,K.O.JOHANSON, . 269 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 68.4 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 . 55 20.4 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 . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.8 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 0 0 1 1 0 1 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 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 3 A V > 0 0 140 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.5 17.1 17.0 42.3 2 4 A P T 3 + 0 0 95 0, 0.0 4,-0.0 0, 0.0 0, 0.0 -0.216 360.0 24.4 -64.7 155.6 16.9 13.2 42.8 3 5 A F T > S+ 0 0 107 1,-0.1 3,-1.9 25,-0.0 25,-0.3 0.272 82.3 117.9 76.5 -9.6 14.6 11.0 40.8 4 6 A V T < S+ 0 0 57 -3,-1.1 25,-0.1 1,-0.3 24,-0.1 0.672 72.8 54.1 -63.5 -16.9 14.4 13.4 37.9 5 7 A E T 3 S+ 0 0 116 21,-0.1 266,-2.5 265,-0.1 2,-0.5 0.312 87.3 103.3 -99.3 9.5 16.0 10.9 35.5 6 8 A D E < -A 270 0A 56 -3,-1.9 21,-3.1 264,-0.2 2,-0.4 -0.810 47.7-178.0 -97.3 128.1 13.4 8.2 36.3 7 9 A W E -AB 269 26A 19 262,-2.8 262,-2.6 -2,-0.5 2,-0.5 -0.982 17.5-144.3-126.6 134.6 10.6 7.6 33.8 8 10 A D E -AB 268 25A 75 17,-2.8 17,-2.7 -2,-0.4 2,-0.9 -0.837 14.3-137.6 -97.5 132.9 7.7 5.2 34.2 9 11 A L E + B 0 24A 23 258,-2.3 15,-0.2 -2,-0.5 3,-0.1 -0.823 34.5 164.6 -89.8 109.6 6.5 3.4 31.0 10 12 A V E + 0 0 87 13,-2.4 2,-0.3 -2,-0.9 -1,-0.1 0.446 52.1 21.9-109.3 -1.5 2.7 3.6 31.3 11 13 A Q E - B 0 23A 102 12,-0.8 12,-3.2 0, 0.0 2,-0.5 -0.926 66.7-118.3-168.4 140.7 1.3 2.8 27.9 12 14 A T E + B 0 22A 71 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.691 27.3 174.2 -82.6 122.8 2.1 1.1 24.6 13 15 A L E + 0 0 65 8,-3.9 2,-0.3 -2,-0.5 9,-0.2 0.783 66.5 3.5 -96.3 -34.3 2.0 3.6 21.7 14 16 A G E - B 0 21A 18 7,-1.7 7,-1.3 2,-0.0 -1,-0.3 -0.955 56.6-177.0-148.1 165.6 3.2 1.3 19.0 15 17 A E E + B 0 20A 157 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.863 18.5 134.1-168.5 130.3 4.2 -2.3 18.3 16 18 A G E > - B 0 19A 36 3,-1.9 2,-3.7 -2,-0.3 3,-2.6 -0.974 68.5 -63.1-166.4 171.6 5.6 -4.3 15.3 17 19 A A T 3 S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.309 127.2 50.8 -65.1 68.0 8.2 -6.8 14.2 18 20 A Y T 3 S- 0 0 122 -2,-3.7 21,-0.4 1,-0.3 2,-0.3 0.217 119.1 -77.4-173.6 -23.3 10.9 -4.4 15.2 19 21 A G E < -B 16 0A 20 -3,-2.6 -3,-1.9 19,-0.1 2,-0.3 -0.997 51.3 -82.8 149.8-143.6 10.1 -3.3 18.7 20 22 A E E -BC 15 37A 81 17,-1.6 17,-2.8 -2,-0.3 2,-0.5 -0.993 14.6-130.7-162.0 161.0 7.8 -1.0 20.4 21 23 A V E -BC 14 36A 29 -7,-1.3 -8,-3.9 -2,-0.3 -7,-1.7 -0.981 26.3-167.7-120.1 124.9 7.1 2.6 21.5 22 24 A Q E -BC 12 35A 16 13,-2.4 13,-2.9 -2,-0.5 2,-0.6 -0.869 25.1-120.7-115.4 147.8 6.0 3.3 25.1 23 25 A L E -BC 11 34A 14 -12,-3.2 -13,-2.4 -2,-0.3 -12,-0.8 -0.769 34.5-162.1 -83.8 120.7 4.6 6.5 26.7 24 26 A A E -BC 9 33A 0 9,-3.2 9,-2.4 -2,-0.6 2,-0.5 -0.909 6.2-162.8-110.2 135.1 7.1 7.5 29.4 25 27 A V E -BC 8 32A 35 -17,-2.7 -17,-2.8 -2,-0.4 7,-0.2 -0.965 25.6-115.2-120.0 128.1 6.2 9.8 32.3 26 28 A N E > -B 7 0A 7 5,-2.5 4,-1.4 -2,-0.5 -19,-0.2 -0.400 16.5-138.9 -64.0 127.8 8.8 11.5 34.4 27 29 A R T 4 S+ 0 0 127 -21,-3.1 -1,-0.1 -24,-0.3 -23,-0.1 0.791 99.1 25.5 -56.2 -31.9 8.6 10.4 38.0 28 30 A V T 4 S+ 0 0 62 -22,-0.4 -1,-0.1 -25,-0.3 -24,-0.1 0.890 133.4 28.0 -98.8 -57.6 9.1 14.0 39.3 29 31 A T T 4 S- 0 0 86 -25,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.680 87.8-135.6 -82.1 -20.4 8.0 16.4 36.6 30 32 A E < + 0 0 154 -4,-1.4 -3,-0.1 1,-0.2 2,-0.1 0.681 45.8 162.2 69.5 18.9 5.3 14.2 35.0 31 33 A E - 0 0 89 -6,-0.1 -5,-2.5 1,-0.1 2,-0.5 -0.426 33.2-133.2 -66.8 145.7 6.6 15.3 31.6 32 34 A A E +C 25 0A 37 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.903 32.8 161.5-110.1 131.0 5.5 13.0 28.9 33 35 A V E -CD 24 77A 2 -9,-2.4 -9,-3.2 -2,-0.5 2,-0.4 -0.951 36.5-116.9-140.6 158.6 7.9 11.6 26.2 34 36 A A E -CD 23 76A 7 42,-3.6 42,-3.7 -2,-0.3 2,-0.6 -0.832 24.5-156.9 -99.0 135.9 7.8 8.7 23.8 35 37 A V E -CD 22 75A 0 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.6 -0.947 2.6-154.7-118.0 115.6 10.4 6.1 24.2 36 38 A K E -CD 21 74A 17 38,-2.9 38,-2.6 -2,-0.6 2,-0.6 -0.795 12.2-163.0 -88.9 122.0 11.3 3.9 21.2 37 39 A I E +CD 20 73A 20 -17,-2.8 -17,-1.6 -2,-0.6 2,-0.4 -0.931 11.5 176.7-110.3 116.9 12.7 0.6 22.5 38 40 A V E - D 0 72A 6 34,-2.0 34,-2.4 -2,-0.6 2,-0.9 -0.977 25.2-140.6-126.3 127.1 14.7 -1.5 20.0 39 41 A D E - D 0 71A 95 -2,-0.4 2,-2.4 -21,-0.4 32,-0.2 -0.738 9.4-151.7 -85.1 107.1 16.5 -4.8 20.6 40 42 A M 0 0 84 30,-3.0 -1,-0.1 -2,-0.9 31,-0.1 -0.111 360.0 360.0 -72.1 44.6 19.7 -4.7 18.6 41 43 A K 0 0 184 -2,-2.4 -2,-0.0 29,-0.1 0, 0.0 -0.194 360.0 360.0 -86.8 360.0 19.5 -8.5 18.4 42 ! 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 43 51 A N > 0 0 175 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -64.5 20.2 0.8 11.2 44 52 A I H > + 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 360.0 57.3 -60.1 -36.7 19.5 2.2 14.6 45 53 A K H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 108.4 45.3 -60.9 -44.2 22.8 4.0 14.5 46 54 A K H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 110.6 52.9 -67.8 -40.8 21.8 5.8 11.2 47 55 A E H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.7 46.5 -62.0 -40.9 18.4 6.7 12.5 48 56 A I H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 109.8 54.1 -67.0 -42.9 19.9 8.3 15.6 49 57 A C H < S+ 0 0 77 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.933 112.6 43.0 -56.7 -48.1 22.5 10.1 13.5 50 58 A I H >X S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 4,-0.6 0.909 109.7 56.5 -67.0 -40.8 19.8 11.6 11.4 51 59 A N H >< S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.3 11,-0.3 0.838 98.8 62.0 -60.4 -31.0 17.6 12.4 14.4 52 60 A K T 3< S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.654 100.9 54.2 -69.0 -14.3 20.5 14.4 15.9 53 61 A M T <4 S+ 0 0 82 -3,-1.8 2,-0.4 -4,-0.4 -1,-0.2 0.608 90.1 101.1 -92.2 -14.4 20.3 16.7 12.8 54 62 A L << + 0 0 7 -3,-1.0 8,-0.5 -4,-0.6 2,-0.2 -0.616 29.1 148.7 -87.4 126.3 16.6 17.5 13.3 55 63 A N + 0 0 118 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.685 29.5 118.4-150.3 88.4 15.2 20.7 14.9 56 64 A H > - 0 0 53 3,-0.4 3,-1.9 -2,-0.2 53,-0.0 -0.978 63.5-123.2-156.8 143.0 11.8 21.8 13.5 57 65 A E T 3 S+ 0 0 143 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.642 112.7 48.1 -60.5 -17.6 8.3 22.3 14.8 58 66 A N T 3 S+ 0 0 5 79,-0.1 80,-2.6 50,-0.1 2,-0.4 0.051 100.8 75.4-112.4 24.2 6.8 19.9 12.3 59 67 A V B < S-f 138 0B 2 -3,-1.9 -3,-0.4 78,-0.3 80,-0.2 -1.000 95.6 -99.5-134.5 131.3 9.3 17.1 12.9 60 68 A V - 0 0 7 78,-2.5 2,-0.1 -2,-0.4 -2,-0.1 -0.283 46.3-119.9 -52.3 122.0 9.2 14.8 16.0 61 69 A K - 0 0 77 -4,-0.1 16,-2.4 -6,-0.1 2,-0.6 -0.385 16.9-143.1 -68.4 143.8 11.8 16.2 18.4 62 70 A F E -E 76 0A 22 -8,-0.5 14,-0.2 -11,-0.3 3,-0.1 -0.946 17.6-179.7-110.8 114.9 14.7 13.9 19.4 63 71 A Y E - 0 0 110 12,-2.6 2,-0.3 -2,-0.6 13,-0.2 0.811 53.9 -82.8 -83.8 -32.8 15.7 14.4 23.0 64 72 A G E -E 75 0A 20 11,-1.1 11,-2.8 2,-0.0 -1,-0.3 -0.931 38.6-106.3 154.1-175.7 18.5 11.8 23.0 65 73 A H E -E 74 0A 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.956 17.2-173.3-145.1 163.0 19.3 8.1 23.4 66 74 A R E -E 73 0A 101 7,-1.8 7,-3.0 -2,-0.3 2,-0.4 -0.975 10.0-155.2-155.4 143.0 20.8 5.6 25.8 67 75 A R E -E 72 0A 162 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.979 9.3-166.6-130.3 141.0 21.7 1.9 25.5 68 76 A E E > -E 71 0A 94 3,-2.2 2,-0.9 -2,-0.4 3,-0.9 -0.802 67.9 -61.5-124.0 86.5 22.0 -0.8 28.0 69 77 A G T 3 S- 0 0 56 -2,-0.5 -2,-0.0 1,-0.2 -29,-0.0 -0.651 124.2 -1.2 81.5-104.7 23.7 -3.8 26.4 70 78 A N T 3 S+ 0 0 85 -2,-0.9 -30,-3.0 -31,-0.0 2,-0.5 0.432 117.8 84.0-101.8 -1.9 21.6 -5.0 23.5 71 79 A I E < -DE 39 68A 46 -3,-0.9 -3,-2.2 -32,-0.2 2,-0.4 -0.900 58.8-160.0-111.2 129.9 18.7 -2.5 24.0 72 80 A Q E -DE 38 67A 12 -34,-2.4 -34,-2.0 -2,-0.5 2,-0.5 -0.866 5.4-156.1-104.8 135.9 18.7 1.1 22.6 73 81 A Y E -DE 37 66A 31 -7,-3.0 -7,-1.8 -2,-0.4 2,-0.6 -0.953 5.4-167.7-116.7 118.1 16.4 3.7 24.0 74 82 A L E -DE 36 65A 0 -38,-2.6 -38,-2.9 -2,-0.5 2,-0.7 -0.916 11.1-149.6-107.4 119.2 15.3 6.7 21.9 75 83 A F E +DE 35 64A 14 -11,-2.8 -12,-2.6 -2,-0.6 -11,-1.1 -0.791 28.3 173.3 -90.4 113.3 13.6 9.5 23.7 76 84 A L E -DE 34 62A 25 -42,-3.7 -42,-3.6 -2,-0.7 -14,-0.2 -0.844 38.8 -83.5-123.3 157.1 11.2 11.2 21.3 77 85 A E E -D 33 0A 31 -16,-2.4 2,-0.6 -2,-0.3 -44,-0.2 -0.284 43.2-128.7 -56.9 131.8 8.6 13.9 21.4 78 86 A Y - 0 0 57 -46,-0.6 2,-0.8 -54,-0.1 -1,-0.1 -0.767 18.1-164.3 -88.2 123.2 5.2 12.6 22.6 79 87 A C > - 0 0 12 -2,-0.6 3,-1.7 1,-0.1 51,-0.3 -0.860 2.5-170.7-109.7 95.3 2.3 13.6 20.3 80 88 A S T 3 S+ 0 0 54 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.661 76.5 71.3 -61.4 -18.8 -0.9 13.0 22.2 81 89 A G T 3 S- 0 0 20 49,-2.1 -1,-0.3 1,-0.2 50,-0.2 0.575 93.5-146.8 -76.2 -8.7 -3.1 13.5 19.2 82 90 A G E < -G 130 0B 30 -3,-1.7 48,-2.5 48,-0.6 -1,-0.2 -0.342 42.0 -14.9 79.5-160.4 -2.1 10.2 17.7 83 91 A E E > -G 129 0B 64 46,-0.2 3,-1.3 1,-0.1 46,-0.2 -0.538 47.7-133.6 -83.8 145.2 -1.7 9.4 14.0 84 92 A L G > S+ 0 0 0 44,-3.0 3,-2.7 41,-0.9 4,-0.4 0.858 104.6 75.1 -61.2 -31.4 -3.1 11.5 11.2 85 93 A F G > S+ 0 0 97 40,-1.3 3,-0.9 43,-0.3 -1,-0.3 0.826 91.2 53.2 -48.5 -38.2 -4.3 8.1 9.9 86 94 A D G < S+ 0 0 114 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.433 99.3 61.3 -82.3 1.2 -7.0 8.1 12.5 87 95 A R G < S+ 0 0 90 -3,-2.7 2,-0.6 -4,-0.2 -1,-0.2 0.380 85.5 92.6-102.6 -1.9 -8.4 11.5 11.6 88 96 A I S < S- 0 0 22 -3,-0.9 6,-0.2 -4,-0.4 105,-0.1 -0.852 73.1-142.0 -97.0 118.6 -9.2 10.2 8.1 89 97 A E B >> -I 93 0C 115 4,-2.9 4,-3.1 -2,-0.6 3,-2.8 -0.690 31.2-102.6 -83.0 123.6 -12.8 8.9 7.8 90 98 A P T 34 S- 0 0 85 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.170 101.6 -5.8 -47.3 126.8 -13.0 5.8 5.6 91 99 A D T 34 S+ 0 0 99 105,-3.2 105,-0.2 1,-0.2 106,-0.1 0.492 135.8 62.5 63.8 6.1 -14.4 6.7 2.2 92 100 A I T <4 S- 0 0 116 -3,-2.8 2,-0.5 104,-0.2 104,-0.3 0.677 75.4-164.9-122.8 -49.3 -15.0 10.3 3.4 93 101 A G B < -I 89 0C 1 -4,-3.1 -4,-2.9 102,-0.3 101,-0.2 -0.839 37.6 -70.4 97.7-125.6 -11.7 11.9 4.4 94 102 A M - 0 0 24 99,-1.2 -6,-0.1 -2,-0.5 5,-0.1 -0.953 62.7 -56.7-160.2 169.9 -12.0 15.1 6.5 95 103 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.333 49.7-126.6 -57.3 134.4 -13.1 18.7 6.1 96 104 A E H 3> S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.866 108.5 56.1 -50.9 -42.8 -11.1 20.3 3.3 97 105 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 108.7 47.4 -59.0 -40.1 -10.0 23.2 5.6 98 106 A D H <> S+ 0 0 42 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.918 111.8 50.1 -66.0 -44.1 -8.5 20.7 8.0 99 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.7 51.3 -61.5 -41.2 -6.8 18.9 5.2 100 108 A Q H X S+ 0 0 10 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.914 110.2 48.8 -63.6 -42.3 -5.3 22.1 3.9 101 109 A R H X S+ 0 0 60 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 113.1 46.7 -62.9 -45.5 -4.0 23.0 7.3 102 110 A F H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 112.1 51.7 -63.4 -38.5 -2.4 19.6 7.7 103 111 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.887 106.5 53.6 -66.1 -38.6 -1.0 19.9 4.2 104 112 A H H X S+ 0 0 56 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.921 112.1 44.8 -60.3 -44.4 0.6 23.3 5.0 105 113 A Q H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.878 110.5 53.4 -69.3 -37.9 2.3 21.8 8.0 106 114 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.941 109.5 49.1 -61.2 -46.3 3.5 18.7 6.1 107 115 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.908 108.3 54.2 -59.9 -41.3 5.0 20.9 3.4 108 116 A A H X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.925 111.8 44.5 -58.4 -45.2 6.7 23.0 6.1 109 117 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.903 114.8 47.1 -67.3 -42.6 8.3 19.8 7.6 110 118 A V H X S+ 0 0 2 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.904 109.9 52.9 -66.7 -41.3 9.3 18.4 4.2 111 119 A V H X S+ 0 0 51 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.930 111.0 49.3 -58.1 -44.2 10.8 21.8 3.1 112 120 A Y H X S+ 0 0 49 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.952 112.1 46.2 -59.4 -52.8 12.8 21.7 6.3 113 121 A L H ><>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.943 114.4 46.7 -56.8 -50.3 14.1 18.1 5.8 114 122 A H H ><5S+ 0 0 7 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.858 105.4 63.3 -61.8 -32.3 15.0 18.7 2.2 115 123 A G H 3<5S+ 0 0 56 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.830 107.7 40.5 -61.7 -33.9 16.7 21.9 3.2 116 124 A I T <<5S- 0 0 56 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.207 124.2-103.5 -99.8 16.3 19.2 20.0 5.3 117 125 A G T < 5S+ 0 0 0 -3,-1.6 30,-2.5 1,-0.2 31,-1.1 0.730 77.1 132.2 73.8 25.7 19.5 17.3 2.7 118 126 A I E < -J 146 0D 0 -5,-2.7 2,-0.4 28,-0.2 -1,-0.2 -0.899 37.5-163.2-112.2 136.3 17.4 14.6 4.3 119 127 A T E -J 145 0D 1 26,-2.5 26,-1.9 -2,-0.4 60,-0.1 -0.973 9.6-155.3-116.9 134.0 14.7 12.6 2.6 120 128 A H - 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0 0 0 -2,-0.1 3,-1.2 1,-0.1 4,-0.5 -0.450 24.8-117.5 -73.1 149.8 6.4 7.3 -6.7 168 176 A P T >> S+ 0 0 8 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.797 108.9 65.8 -58.6 -33.3 6.3 5.5 -10.1 169 177 A E H 3> S+ 0 0 7 1,-0.3 4,-2.8 71,-0.2 3,-0.5 0.804 91.4 64.8 -61.4 -29.1 10.0 6.1 -10.9 170 178 A L H <4 S+ 0 0 8 -3,-1.2 -1,-0.3 1,-0.2 6,-0.0 0.804 109.6 38.7 -62.8 -28.4 10.9 3.9 -7.9 171 179 A L H <4 S+ 0 0 76 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.508 126.1 35.0 -99.3 -6.9 9.4 1.0 -9.7 172 180 A K H < S+ 0 0 117 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.685 107.8 57.6-119.1 -26.8 10.6 1.8 -13.2 173 181 A R < - 0 0 142 -4,-2.8 -1,-0.1 -5,-0.2 3,-0.1 -0.808 62.2-141.9-113.2 152.0 14.0 3.4 -13.0 174 182 A R S S+ 0 0 200 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.905 92.5 23.8 -73.7 -41.9 17.3 2.2 -11.5 175 183 A E S S+ 0 0 90 -18,-0.0 2,-0.3 -20,-0.0 -18,-0.2 -0.905 70.8 168.4-124.3 154.1 18.2 5.7 -10.2 176 184 A F B -L 156 0F 14 -20,-2.1 -20,-2.7 -2,-0.3 2,-0.1 -0.990 38.0 -93.9-162.4 154.6 16.1 8.7 -9.2 177 185 A H > - 0 0 84 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.446 30.6-138.0 -70.1 142.5 16.1 12.0 -7.5 178 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.2 1,-0.2 3,-0.8 0.930 90.6 58.1 -69.0 -49.2 15.1 12.0 -3.8 179 187 A E H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.866 100.0 53.3 -55.0 -47.1 12.9 15.1 -3.6 180 188 A P H 3> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.804 104.6 59.8 -61.9 -25.6 10.2 14.3 -6.2 181 189 A V H - 0 0 19 -2,-1.9 3,-1.9 1,-0.1 7,-0.3 -0.922 68.9-124.5-123.4 148.3 2.2 0.8 -12.2 205 213 A D T 3 S+ 0 0 96 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.736 113.9 63.3 -60.6 -20.2 0.7 0.7 -15.7 206 214 A S T 3 S+ 0 0 104 4,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.720 84.9 86.9 -75.9 -22.0 -0.5 -2.8 -14.7 207 215 A C S <> S- 0 0 13 -3,-1.9 4,-2.2 1,-0.2 3,-0.4 -0.722 70.3-153.3 -84.3 114.7 -2.7 -1.2 -12.0 208 216 A Q H > S+ 0 0 110 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.881 92.7 55.3 -53.6 -46.0 -6.0 -0.3 -13.5 209 217 A E H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.881 110.3 46.5 -57.3 -40.0 -6.7 2.5 -11.1 210 218 A Y H > S+ 0 0 1 -3,-0.4 4,-2.2 -8,-0.3 -1,-0.2 0.892 110.1 52.3 -71.3 -39.2 -3.4 4.2 -12.0 211 219 A S H X S+ 0 0 26 -4,-2.2 4,-1.5 -7,-0.3 -2,-0.2 0.915 106.9 54.2 -62.6 -39.7 -4.0 3.8 -15.7 212 220 A D H <>S+ 0 0 24 -4,-2.6 5,-2.3 1,-0.2 -1,-0.2 0.895 107.6 50.2 -60.7 -40.1 -7.3 5.5 -15.3 213 221 A W H ><5S+ 0 0 11 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.921 108.9 50.0 -64.1 -44.7 -5.7 8.4 -13.6 214 222 A K H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.6 53.5 -64.4 -24.1 -3.1 8.8 -16.4 215 223 A E T 3<5S- 0 0 115 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.329 116.3-122.0 -90.6 5.3 -6.1 8.7 -18.7 216 224 A K T < 5 + 0 0 155 -3,-2.0 2,-1.7 1,-0.2 -3,-0.2 0.803 53.4 158.7 58.1 38.1 -7.6 11.5 -16.7 217 225 A K > < + 0 0 62 -5,-2.3 3,-1.3 1,-0.2 -1,-0.2 -0.520 4.4 157.3 -88.9 69.5 -10.9 9.7 -15.7 218 226 A T T 3 + 0 0 43 -2,-1.7 -1,-0.2 1,-0.3 -5,-0.1 0.445 56.8 81.1 -75.1 -0.1 -11.5 12.0 -12.7 219 227 A Y T 3 S+ 0 0 148 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.526 85.5 77.0 -80.8 -5.0 -15.2 11.1 -12.8 220 228 A L S <> S- 0 0 61 -3,-1.3 4,-1.6 1,-0.1 3,-0.3 -0.624 92.6 -51.8-100.4 162.1 -14.2 8.0 -10.9 221 229 A N T 4 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.443 113.9 17.5 -74.2 152.0 -13.3 7.6 -7.2 222 230 A P T >4 S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.994 124.9 54.1 -86.4 -6.5 -11.5 9.0 -5.4 223 231 A W G >4 S+ 0 0 8 -3,-0.3 3,-1.4 1,-0.3 -2,-0.2 0.801 99.7 61.1 -56.1 -35.8 -11.1 11.9 -7.7 224 232 A K G 3< S+ 0 0 125 -4,-1.6 -1,-0.3 1,-0.3 -3,-0.1 0.674 100.5 57.3 -69.3 -12.8 -14.9 12.7 -8.1 225 233 A K G < S+ 0 0 74 -3,-1.8 2,-0.4 -5,-0.2 -1,-0.3 0.546 93.3 85.2 -91.0 -8.9 -15.0 13.3 -4.3 226 234 A I S < S- 0 0 13 -3,-1.4 -31,-0.1 -4,-0.4 -35,-0.0 -0.795 81.9-117.6-100.8 132.6 -12.3 16.0 -4.5 227 235 A D > - 0 0 76 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.203 29.6-107.3 -62.7 157.6 -13.2 19.6 -5.3 228 236 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.842 113.0 55.3 -54.4 -42.5 -11.7 21.3 -8.5 229 237 A A H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.980 114.8 35.0 -60.4 -61.3 -9.2 23.5 -6.6 230 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.839 114.7 59.2 -65.3 -27.3 -7.4 20.8 -4.7 231 239 A L H X S+ 0 0 20 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.886 100.3 56.0 -66.4 -35.6 -7.8 18.3 -7.6 232 240 A A H X S+ 0 0 44 -4,-2.0 4,-0.7 -3,-0.4 -1,-0.2 0.855 108.1 48.9 -63.5 -33.9 -5.9 20.8 -9.8 233 241 A L H >X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 3,-1.0 0.927 108.9 51.4 -70.7 -45.1 -3.0 20.6 -7.4 234 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.865 103.4 59.7 -60.3 -34.5 -3.1 16.8 -7.3 235 243 A H H 3< S+ 0 0 67 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.804 109.6 44.1 -62.4 -28.6 -3.0 16.9 -11.1 236 244 A K H << S+ 0 0 84 -3,-1.0 10,-2.0 -4,-0.7 3,-0.3 0.755 118.1 42.5 -86.9 -28.0 0.4 18.7 -10.7 237 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.8 1,-0.2 -2,-0.2 0.905 106.2 59.0 -83.8 -47.5 1.8 16.5 -8.0 238 246 A L S < S+ 0 0 4 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.344 73.3 138.9 -85.3 60.1 0.8 13.1 -9.2 239 247 A V - 0 0 41 -2,-1.8 6,-0.2 -3,-0.3 5,-0.1 -0.890 52.0-139.5-105.1 129.7 2.7 13.3 -12.5 240 248 A E S S+ 0 0 51 -2,-0.5 -71,-0.2 -72,-0.1 -1,-0.1 0.897 87.2 72.3 -56.7 -47.3 4.6 10.2 -13.7 241 249 A N S >> S- 0 0 89 1,-0.2 3,-1.2 -73,-0.1 4,-1.2 -0.620 71.6-156.0 -74.5 111.8 7.7 12.0 -15.0 242 250 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.742 92.0 58.5 -60.1 -25.1 9.5 13.2 -11.8 243 251 A S T 34 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.757 110.7 41.3 -77.0 -23.5 11.2 15.9 -13.8 244 252 A A T <4 S+ 0 0 65 -3,-1.2 -1,-0.2 -5,-0.1 3,-0.1 0.595 91.6 111.4 -96.1 -15.1 7.9 17.4 -14.8 245 253 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.287 80.9 -96.9 -60.9 143.5 6.4 16.9 -11.4 246 254 A I - 0 0 22 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.271 36.9-135.7 -62.3 144.9 5.7 20.1 -9.4 247 255 A T > - 0 0 70 -3,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.581 23.6-107.4 -97.0 165.6 8.3 21.2 -6.9 248 256 A I H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 117.5 59.8 -61.4 -42.5 7.5 22.4 -3.4 249 257 A P H 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.877 112.3 41.5 -53.8 -33.7 8.4 26.0 -4.2 250 258 A D H >4 S+ 0 0 72 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.766 105.7 61.3 -84.6 -26.3 5.6 25.9 -6.8 251 259 A I H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.3 6,-0.2 0.898 100.4 58.4 -63.3 -37.0 3.2 24.0 -4.6 252 260 A K T 3< S+ 0 0 90 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.657 104.9 50.0 -65.8 -15.0 3.4 27.0 -2.4 253 261 A K T < S+ 0 0 155 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.439 84.7 122.4-101.1 -3.4 2.2 29.1 -5.3 254 262 A D <> - 0 0 6 -3,-1.5 4,-1.6 -4,-0.4 5,-0.1 -0.287 67.8-126.6 -63.4 143.0 -0.8 26.9 -6.0 255 263 A R T 4 S+ 0 0 163 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.914 108.8 42.9 -56.1 -50.1 -4.2 28.4 -6.0 256 264 A W T >4 S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.919 108.4 59.2 -65.2 -42.6 -5.7 25.9 -3.6 257 265 A Y T 34 S+ 0 0 24 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.859 113.4 39.6 -53.6 -35.9 -2.7 26.0 -1.3 258 266 A N T 3< S+ 0 0 100 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.324 87.2 118.8 -99.1 8.5 -3.2 29.7 -0.8 259 267 A K < - 0 0 67 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.0 -0.609 69.3-120.4 -80.2 126.7 -7.0 29.7 -0.6 260 268 A P + 0 0 125 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.514 61.5 131.3 -65.8 120.3 -8.4 31.0 2.7 261 269 A L + 0 0 58 -2,-0.4 2,-0.5 1,-0.2 -163,-0.1 0.578 45.4 69.4-137.3 -40.6 -10.5 28.1 4.1 262 270 A K - 0 0 90 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.805 63.8-142.7-100.9 125.3 -9.7 27.4 7.8 263 271 A K - 0 0 184 -2,-0.5 -2,-0.0 1,-0.1 -1,-0.0 -0.444 36.3 -96.9 -76.5 153.3 -10.5 29.7 10.7 264 272 A G 0 0 71 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.217 360.0 360.0 -64.8 164.2 -8.0 29.9 13.5 265 273 A A 0 0 158 -3,-0.1 -1,-0.1 -132,-0.1 -132,-0.0 -0.061 360.0 360.0 -55.4 360.0 -8.5 27.7 16.6 266 !* 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 0.0 267 301 B A 0 0 112 0, 0.0 -258,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.2 8.3 -1.0 33.6 268 302 B S E -A 8 0A 82 -260,-0.3 2,-0.3 -244,-0.1 -260,-0.2 -0.968 360.0-159.8-149.9 162.6 10.6 2.0 33.9 269 303 B V E -A 7 0A 11 -262,-2.6 -262,-2.8 -2,-0.3 2,-0.4 -0.968 15.5-129.5-143.5 157.4 13.6 3.6 32.2 270 304 B S E A 6 0A 39 -2,-0.3 -264,-0.2 -264,-0.2 -265,-0.1 -0.884 360.0 360.0-111.4 142.8 16.3 6.2 33.2 271 305 B A 0 0 53 -266,-2.5 -265,-0.1 -2,-0.4 -206,-0.0 0.014 360.0 360.0 -91.8 360.0 17.3 9.2 31.1