==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 10-JUN-05 1ZYS . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.A.STAVENGER,B.ZHAO,B.-B.S.ZHOU,M.J.BROWN,D.LEE,D.A.HOLT . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 68.8 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 19.9 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 0.7 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.0 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 1 1 0 1 0 0 1 0 0 1 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,-1.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 115.8 16.8 16.9 42.2 2 4 A P T 3 + 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.223 360.0 10.3 -56.7 144.8 16.4 13.2 43.2 3 5 A F T > S+ 0 0 114 1,-0.1 3,-1.8 25,-0.0 24,-0.3 0.330 83.7 122.0 75.9 -4.9 14.3 10.9 40.9 4 6 A V T < S+ 0 0 56 -3,-1.5 25,-0.1 1,-0.3 -1,-0.1 0.536 72.8 56.8 -69.8 -6.8 14.0 13.4 38.0 5 7 A E T 3 S+ 0 0 105 -4,-0.1 272,-2.6 21,-0.1 2,-0.5 0.287 86.6 99.5-101.9 5.4 15.7 10.9 35.7 6 8 A D E < -A 276 0A 52 -3,-1.8 21,-3.2 270,-0.2 2,-0.4 -0.802 50.1-176.7 -97.8 135.2 13.1 8.2 36.4 7 9 A W E -AB 275 26A 18 268,-2.2 268,-2.3 -2,-0.5 2,-0.4 -0.994 18.4-141.1-132.1 136.2 10.3 7.7 34.0 8 10 A D E -AB 274 25A 78 17,-2.8 17,-2.6 -2,-0.4 2,-0.7 -0.819 15.5-136.3 -94.6 134.6 7.3 5.3 34.2 9 11 A L E + B 0 24A 25 264,-2.5 15,-0.2 -2,-0.4 3,-0.1 -0.801 34.9 164.4 -91.3 112.4 6.2 3.5 31.0 10 12 A V E + 0 0 83 13,-2.7 2,-0.3 -2,-0.7 -1,-0.1 0.516 49.9 18.2-111.1 -6.6 2.5 3.8 31.1 11 13 A Q E - B 0 23A 106 12,-0.7 12,-2.6 0, 0.0 2,-0.6 -0.910 65.8-117.3-168.2 137.7 1.0 3.0 27.6 12 14 A T E + B 0 22A 68 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.665 28.1 177.8 -80.1 119.6 1.9 1.3 24.4 13 15 A L E - 0 0 62 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.807 65.7 -14.0 -89.6 -34.5 1.8 4.0 21.7 14 16 A G E - B 0 21A 21 7,-1.5 7,-2.5 2,-0.0 -1,-0.4 -0.969 56.5-164.5-165.0 156.5 2.9 1.8 18.8 15 17 A E E + B 0 20A 152 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.976 22.6 134.8-145.1 156.2 4.5 -1.7 18.0 16 18 A G E > S- B 0 19A 40 3,-2.1 3,-1.8 -2,-0.3 -2,-0.0 -0.965 70.3 -68.1 177.9-179.7 6.1 -3.2 15.0 17 19 A A T 3 S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.762 127.4 63.5 -62.5 -21.0 9.0 -5.3 13.8 18 20 A Y T 3 S- 0 0 88 1,-0.2 2,-0.4 20,-0.1 -1,-0.3 0.741 119.1-106.6 -71.4 -23.8 11.1 -2.2 14.7 19 21 A G E < -B 16 0A 25 -3,-1.8 -3,-2.1 19,-0.1 2,-0.3 -0.999 47.6 -57.2 135.8-135.4 10.2 -2.6 18.3 20 22 A E E -BC 15 37A 67 17,-1.7 17,-2.8 -2,-0.4 2,-0.4 -0.953 25.6-141.9-145.2 163.8 7.8 -0.4 20.4 21 23 A V E -BC 14 36A 26 -7,-2.5 -8,-2.9 -2,-0.3 -7,-1.5 -1.000 23.7-168.6-126.5 129.9 7.1 3.1 21.5 22 24 A Q E -BC 12 35A 18 13,-2.5 13,-3.2 -2,-0.4 2,-0.5 -0.909 27.5-115.3-118.4 152.0 5.8 3.8 25.0 23 25 A L E -BC 11 34A 16 -12,-2.6 -13,-2.7 -2,-0.3 -12,-0.7 -0.724 36.0-162.6 -81.7 124.6 4.4 6.8 26.7 24 26 A A E -BC 9 33A 0 9,-3.1 9,-2.2 -2,-0.5 2,-0.4 -0.942 5.4-163.6-113.9 132.7 6.8 7.7 29.5 25 27 A V E -BC 8 32A 37 -17,-2.6 -17,-2.8 -2,-0.4 7,-0.2 -0.945 26.8-113.5-123.5 129.8 5.8 10.1 32.3 26 28 A N E > -B 7 0A 7 5,-2.6 4,-1.6 -2,-0.4 -19,-0.2 -0.404 16.3-137.8 -64.7 132.6 8.4 11.7 34.5 27 29 A R T 4 S+ 0 0 124 -21,-3.2 -1,-0.1 -24,-0.3 -23,-0.1 0.804 99.7 25.7 -59.1 -34.4 8.4 10.5 38.1 28 30 A V T 4 S+ 0 0 61 -22,-0.4 -1,-0.1 -25,-0.3 -24,-0.1 0.872 133.8 27.9 -95.6 -52.5 8.8 14.0 39.4 29 31 A T T 4 S- 0 0 85 -25,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.601 86.2-133.9 -90.3 -10.9 7.6 16.4 36.9 30 32 A E < + 0 0 152 -4,-1.6 -3,-0.1 1,-0.2 -1,-0.1 0.545 48.5 159.0 63.6 15.9 4.9 14.3 35.1 31 33 A E - 0 0 101 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.357 34.2-138.0 -60.5 142.5 6.4 15.6 31.8 32 34 A A E +C 25 0A 38 -7,-0.2 52,-0.5 -3,-0.1 2,-0.3 -0.925 31.5 160.8-112.7 135.0 5.3 13.1 29.1 33 35 A V E -CD 24 83A 3 -9,-2.2 -9,-3.1 -2,-0.4 2,-0.4 -0.891 37.6-115.7-139.8 162.4 7.7 12.0 26.3 34 36 A A E -CD 23 82A 7 48,-3.1 48,-3.2 -2,-0.3 2,-0.6 -0.864 24.2-155.3-101.5 143.9 7.6 9.0 24.0 35 37 A V E -CD 22 81A 0 -13,-3.2 -13,-2.5 -2,-0.4 2,-0.5 -0.957 2.8-152.9-122.7 116.6 10.3 6.4 24.3 36 38 A K E -CD 21 80A 12 44,-2.8 44,-2.9 -2,-0.6 2,-0.6 -0.789 14.1-156.2 -87.3 129.9 11.1 4.2 21.3 37 39 A I E -CD 20 79A 29 -17,-2.8 -17,-1.7 -2,-0.5 2,-0.4 -0.939 12.2-176.8-113.8 119.2 12.6 0.8 22.5 38 40 A V E - D 0 78A 6 40,-2.8 40,-3.0 -2,-0.6 2,-0.8 -0.962 19.8-151.9-124.5 127.6 14.8 -1.2 20.2 39 41 A D E > - D 0 77A 74 -2,-0.4 3,-1.7 38,-0.2 4,-0.2 -0.848 7.4-162.0 -94.3 105.3 16.3 -4.6 20.8 40 42 A M T 3 S+ 0 0 28 36,-3.0 3,-0.4 -2,-0.8 6,-0.2 0.560 84.2 70.7 -66.2 -6.2 19.5 -4.6 18.7 41 43 A K T 3 S+ 0 0 168 35,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.556 77.0 81.1 -85.4 -12.5 19.5 -8.4 18.9 42 44 A R S < S+ 0 0 203 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.762 105.0 13.8 -67.2 -27.5 16.5 -8.7 16.6 43 45 A A S > S- 0 0 51 -3,-0.4 3,-1.2 -4,-0.2 -1,-0.2 -0.992 70.8-124.7-150.0 143.5 18.5 -8.3 13.4 44 46 A V T 3 S+ 0 0 132 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.859 115.1 40.1 -54.7 -37.0 22.2 -8.4 12.6 45 47 A D T 3> S+ 0 0 89 1,-0.2 4,-3.1 2,-0.1 -1,-0.3 0.447 84.9 96.2 -94.7 -0.3 22.0 -5.0 11.0 46 48 A C H <> S+ 0 0 19 -3,-1.2 4,-3.2 -6,-0.2 5,-0.4 0.909 81.2 60.5 -55.3 -39.0 19.7 -3.4 13.6 47 49 A P H > S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.964 111.0 35.6 -53.8 -55.5 22.8 -2.1 15.2 48 50 A E H > S+ 0 0 103 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.915 118.1 55.0 -64.5 -41.6 23.9 -0.0 12.2 49 51 A N H X S+ 0 0 92 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.970 111.3 40.8 -56.2 -56.5 20.3 0.8 11.3 50 52 A I H X S+ 0 0 4 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.887 112.5 56.4 -64.0 -34.0 19.4 2.3 14.7 51 53 A K H X S+ 0 0 112 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.915 108.9 47.5 -61.5 -39.3 22.7 4.0 14.9 52 54 A K H X S+ 0 0 79 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 110.3 51.4 -66.2 -45.6 21.9 5.7 11.6 53 55 A E H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.872 110.6 48.0 -60.6 -38.2 18.4 6.7 12.7 54 56 A I H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.934 109.8 54.1 -68.1 -41.5 19.8 8.3 15.9 55 57 A C H X S+ 0 0 80 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.926 112.4 43.6 -57.5 -45.9 22.4 10.1 13.8 56 58 A I H >< S+ 0 0 4 -4,-2.5 3,-1.8 1,-0.2 4,-0.5 0.958 110.6 53.3 -67.3 -42.5 19.7 11.5 11.6 57 59 A N H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.3 11,-0.3 0.856 102.4 60.6 -60.8 -33.4 17.4 12.4 14.5 58 60 A A H 3< S+ 0 0 72 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.722 100.2 56.3 -66.5 -18.2 20.3 14.4 16.1 59 61 A M T << S+ 0 0 82 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.3 0.600 92.3 91.4 -87.9 -11.9 20.4 16.6 13.1 60 62 A L < + 0 0 6 -3,-1.3 8,-0.4 -4,-0.5 2,-0.2 -0.725 32.7 153.9 -99.6 139.1 16.7 17.7 13.2 61 63 A N + 0 0 111 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.716 29.0 123.7-158.4 89.6 15.1 20.7 15.0 62 64 A H > - 0 0 53 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.982 63.4-120.0-153.0 146.2 11.8 21.9 13.5 63 65 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.660 113.4 49.2 -63.9 -15.1 8.3 22.4 14.8 64 66 A N T 3 S+ 0 0 1 79,-0.1 80,-2.8 50,-0.1 2,-0.4 0.074 99.2 77.8-113.7 24.4 6.8 19.9 12.3 65 67 A V B < S-f 144 0B 2 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.998 94.3-104.4-128.4 133.1 9.3 17.1 13.0 66 68 A V - 0 0 9 78,-2.7 -6,-0.1 -2,-0.4 -2,-0.1 -0.238 46.3-122.1 -56.3 116.2 9.1 14.9 16.1 67 69 A K - 0 0 72 -4,-0.1 16,-2.9 -2,-0.1 2,-0.6 -0.367 15.8-142.7 -69.3 141.9 11.8 16.3 18.3 68 70 A F E -E 82 0A 22 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.944 16.4-177.3-104.3 118.0 14.6 13.9 19.4 69 71 A Y E - 0 0 119 12,-2.9 2,-0.3 -2,-0.6 13,-0.2 0.656 54.2 -76.5 -88.0 -22.3 15.8 14.6 23.1 70 72 A G E -E 81 0A 25 11,-1.0 11,-2.6 2,-0.0 -1,-0.3 -0.870 42.8-110.6 148.4-179.3 18.6 12.0 23.3 71 73 A H E -E 80 0A 94 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.961 12.4-156.9-144.9 163.5 19.2 8.3 23.7 72 74 A R E -E 79 0A 76 7,-1.7 7,-2.2 -2,-0.3 2,-0.3 -0.993 11.3-143.7-145.0 135.9 20.6 5.7 26.1 73 75 A R E -E 78 0A 144 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.764 12.7-177.5-101.5 143.3 21.9 2.3 25.6 74 76 A E E > -E 77 0A 83 3,-2.9 3,-2.5 -2,-0.3 2,-0.4 -0.810 63.5 -69.0-139.0 90.5 21.3 -0.6 28.1 75 77 A G T 3 S- 0 0 54 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.436 120.2 -7.7 62.3-115.8 23.2 -3.6 26.9 76 78 A N T 3 S+ 0 0 111 -2,-0.4 -36,-3.0 -3,-0.1 2,-0.4 0.455 120.8 90.3 -93.2 -0.5 21.4 -4.7 23.7 77 79 A I E < -DE 39 74A 53 -3,-2.5 -3,-2.9 -38,-0.2 2,-0.4 -0.809 57.7-160.6-104.9 133.8 18.5 -2.3 24.2 78 80 A Q E -DE 38 73A 13 -40,-3.0 -40,-2.8 -2,-0.4 2,-0.5 -0.938 4.5-160.8-108.7 134.1 18.5 1.3 22.7 79 81 A Y E -DE 37 72A 23 -7,-2.2 -7,-1.7 -2,-0.4 2,-0.5 -0.954 3.3-166.7-117.0 115.0 16.1 3.8 24.2 80 82 A L E -DE 36 71A 0 -44,-2.9 -44,-2.8 -2,-0.5 2,-0.6 -0.897 11.5-147.5-105.1 126.0 15.3 6.9 22.1 81 83 A F E +DE 35 70A 15 -11,-2.6 -12,-2.9 -2,-0.5 -11,-1.0 -0.867 29.1 174.6 -95.3 120.5 13.5 9.8 23.9 82 84 A L E -DE 34 68A 22 -48,-3.2 -48,-3.1 -2,-0.6 -14,-0.2 -0.838 39.2 -83.0-129.7 155.6 11.1 11.6 21.5 83 85 A E E -D 33 0A 31 -16,-2.9 2,-0.5 -2,-0.3 -50,-0.2 -0.328 45.3-130.9 -57.2 127.8 8.5 14.3 21.5 84 86 A Y - 0 0 62 -52,-0.5 2,-0.7 -60,-0.1 -52,-0.1 -0.766 16.2-160.9 -85.4 131.2 5.2 12.9 22.6 85 87 A C > - 0 0 8 -2,-0.5 3,-2.0 52,-0.1 51,-0.4 -0.864 2.0-167.3-113.5 98.8 2.3 13.9 20.3 86 88 A S T 3 S+ 0 0 58 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.683 79.4 66.9 -68.6 -12.9 -0.9 13.4 22.2 87 89 A G T 3 S- 0 0 23 49,-2.3 -1,-0.3 1,-0.2 50,-0.2 0.527 93.8-150.7 -84.0 -2.8 -3.3 13.7 19.3 88 90 A G E < -G 136 0B 30 -3,-2.0 48,-2.6 48,-0.6 2,-0.3 -0.307 43.7 -5.1 75.8-148.0 -1.9 10.4 17.9 89 91 A E E > -G 135 0B 63 46,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.567 46.3-137.5 -91.6 142.4 -1.8 9.6 14.2 90 92 A L G > S+ 0 0 0 44,-3.4 3,-2.5 41,-0.6 4,-0.5 0.861 104.2 74.2 -59.0 -30.7 -3.1 11.6 11.3 91 93 A F G > S+ 0 0 95 40,-1.8 3,-1.1 43,-0.4 -1,-0.3 0.865 92.6 52.5 -45.5 -45.4 -4.2 8.1 10.1 92 94 A D G < S+ 0 0 119 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.422 100.7 59.7 -77.7 1.0 -7.0 8.2 12.7 93 95 A R G < S+ 0 0 86 -3,-2.5 2,-0.8 -4,-0.3 -1,-0.2 0.385 84.6 92.8-102.5 -3.0 -8.4 11.5 11.6 94 96 A I S < S- 0 0 25 -3,-1.1 6,-0.2 -4,-0.5 105,-0.1 -0.851 71.2-146.1 -94.5 108.4 -9.2 10.3 8.2 95 97 A E B >> -I 99 0C 112 4,-2.7 4,-2.8 -2,-0.8 3,-2.4 -0.589 30.0-101.1 -74.4 129.8 -12.7 9.0 8.0 96 98 A P T 34 S- 0 0 89 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.229 101.6 -4.7 -57.2 128.0 -13.1 6.0 5.7 97 99 A D T 34 S+ 0 0 95 105,-2.8 105,-0.2 1,-0.1 106,-0.1 0.428 133.8 61.4 66.2 11.1 -14.5 7.1 2.4 98 100 A I T <4 S- 0 0 117 -3,-2.4 2,-0.6 1,-0.2 104,-0.3 0.670 74.8-163.7-126.1 -48.4 -15.0 10.6 3.6 99 101 A G B < -I 95 0C 1 -4,-2.8 -4,-2.7 102,-0.3 101,-0.2 -0.839 41.8 -70.8 96.3-122.8 -11.6 12.0 4.4 100 102 A M - 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0 0 0 -2,-0.1 3,-1.2 1,-0.1 4,-0.5 -0.421 23.1-121.7 -64.1 147.6 6.4 7.3 -6.6 174 176 A P H >> S+ 0 0 6 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.808 105.6 68.4 -64.5 -30.3 6.3 5.5 -9.9 175 177 A E H 3> S+ 0 0 5 1,-0.3 4,-2.6 71,-0.2 3,-0.4 0.796 91.8 61.3 -62.6 -30.8 9.9 6.1 -10.8 176 178 A L H <4 S+ 0 0 9 -3,-1.2 -1,-0.3 1,-0.2 6,-0.0 0.800 108.3 44.2 -63.8 -24.2 11.0 3.7 -7.9 177 179 A L H << S+ 0 0 67 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.587 126.7 29.5 -90.3 -12.8 9.1 0.9 -9.7 178 180 A K H < S+ 0 0 135 -4,-0.9 2,-0.3 -3,-0.4 -2,-0.2 0.663 109.4 59.8-119.7 -24.6 10.5 1.8 -13.2 179 181 A R < - 0 0 144 -4,-2.6 -1,-0.1 -5,-0.2 3,-0.1 -0.875 62.4-140.8-115.6 147.1 13.9 3.4 -12.9 180 182 A R S S+ 0 0 184 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.920 92.1 20.2 -68.9 -43.6 17.2 2.1 -11.5 181 183 A E S S+ 0 0 85 -18,-0.0 2,-0.3 -17,-0.0 -18,-0.2 -0.904 70.5 173.2-122.9 157.1 18.1 5.5 -10.0 182 184 A F B -L 162 0F 15 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.2 -0.992 36.6 -96.0-158.9 157.1 16.0 8.6 -9.1 183 185 A H > - 0 0 80 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.478 30.8-138.3 -70.4 146.4 16.1 11.9 -7.4 184 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.5 -2,-0.2 3,-0.7 0.911 89.8 61.9 -74.6 -44.2 15.0 11.9 -3.7 185 187 A E H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.900 99.9 51.8 -57.0 -47.9 12.9 15.1 -3.5 186 188 A P H 3> S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.811 104.6 59.0 -61.1 -27.1 10.2 14.2 -6.0 187 189 A V H S- 0 0 23 -2,-2.1 3,-2.1 1,-0.1 7,-0.3 -0.937 72.9-119.6-124.2 153.7 2.0 0.9 -12.2 211 213 A D T 3 S+ 0 0 101 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.824 112.3 67.1 -59.5 -28.3 0.2 0.7 -15.6 212 214 A S T 3 S+ 0 0 103 4,-0.1 2,-0.7 5,-0.1 -1,-0.3 0.644 83.9 82.7 -66.8 -13.9 -0.9 -2.8 -14.6 213 215 A C S X> S- 0 0 10 -3,-2.1 4,-2.3 1,-0.2 3,-0.7 -0.859 74.7-150.4 -98.7 114.3 -3.1 -1.2 -11.8 214 216 A Q H 3> S+ 0 0 115 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.854 93.9 55.8 -52.0 -43.0 -6.4 -0.2 -13.4 215 217 A E H 3> S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.864 109.1 46.9 -61.7 -35.9 -6.9 2.7 -11.0 216 218 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.2 -6,-0.3 -2,-0.2 0.919 111.8 50.5 -72.8 -40.2 -3.5 4.2 -11.9 217 219 A S H X S+ 0 0 33 -4,-2.3 4,-1.7 -7,-0.3 -2,-0.2 0.919 107.7 54.0 -60.9 -43.1 -4.1 3.9 -15.6 218 220 A D H <>S+ 0 0 26 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.882 108.1 50.2 -56.2 -44.8 -7.5 5.6 -15.2 219 221 A W H ><5S+ 0 0 12 -4,-1.7 3,-2.2 1,-0.2 -1,-0.2 0.927 107.4 52.7 -60.9 -44.2 -5.8 8.5 -13.5 220 222 A K H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.1 52.0 -63.0 -28.1 -3.3 8.8 -16.3 221 223 A E T 3<5S- 0 0 138 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.241 116.7-118.4 -90.0 14.9 -6.2 8.9 -18.7 222 224 A K T < 5 + 0 0 146 -3,-2.2 2,-2.0 1,-0.2 -3,-0.2 0.807 53.7 160.9 54.2 40.7 -7.8 11.7 -16.6 223 225 A K > < + 0 0 71 -5,-2.2 3,-1.4 1,-0.2 -1,-0.2 -0.484 6.7 156.8 -89.4 69.7 -10.9 9.9 -15.6 224 226 A T T 3 + 0 0 41 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.436 56.6 78.1 -79.4 3.4 -11.6 12.2 -12.7 225 227 A Y T 3 S+ 0 0 151 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.506 86.6 80.4 -81.8 -6.3 -15.4 11.4 -12.7 226 228 A L S <> S- 0 0 58 -3,-1.4 4,-1.5 1,-0.1 3,-0.3 -0.618 91.9 -59.3 -94.9 161.9 -14.3 8.2 -10.9 227 229 A N T 4 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.489 113.0 23.9 -78.5 154.0 -13.4 8.0 -7.2 228 230 A P T >4 S+ 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.993 125.0 51.9 -79.9 -9.6 -11.4 9.2 -5.3 229 231 A W G >4 S+ 0 0 7 1,-0.3 3,-1.7 -3,-0.3 -2,-0.2 0.773 99.6 61.6 -59.9 -36.2 -11.2 12.2 -7.6 230 232 A K G 3< S+ 0 0 125 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.1 0.701 100.6 57.1 -64.4 -19.4 -14.9 12.9 -7.9 231 233 A K G < S+ 0 0 70 -3,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.564 92.8 84.8 -85.6 -9.1 -15.0 13.6 -4.2 232 234 A I S < S- 0 0 11 -3,-1.7 -31,-0.1 -4,-0.3 -35,-0.0 -0.810 81.9-119.5-102.2 128.9 -12.3 16.3 -4.4 233 235 A D > - 0 0 74 -2,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.192 30.9-104.2 -60.5 164.0 -13.1 19.8 -5.2 234 236 A S H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.808 112.6 54.9 -60.6 -38.0 -11.6 21.4 -8.3 235 237 A A H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 27,-0.4 0.960 114.7 37.6 -68.0 -52.4 -9.0 23.6 -6.6 236 238 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.836 113.6 58.1 -68.4 -29.1 -7.2 20.9 -4.7 237 239 A L H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 101.8 54.9 -65.1 -34.8 -7.7 18.5 -7.6 238 240 A A H X S+ 0 0 42 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.884 109.0 48.6 -65.7 -32.7 -5.8 20.9 -9.8 239 241 A L H >X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 3,-1.4 0.950 109.4 51.4 -72.5 -44.9 -2.9 20.7 -7.3 240 242 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 -2,-0.2 0.870 103.4 59.8 -60.1 -33.7 -3.1 16.8 -7.2 241 243 A H H 3< S+ 0 0 67 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.783 109.3 43.3 -63.1 -31.9 -2.9 16.9 -11.0 242 244 A K H << S+ 0 0 85 -3,-1.4 10,-2.2 -4,-0.8 3,-0.3 0.717 117.9 43.8 -81.4 -30.6 0.5 18.7 -10.7 243 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.9 1,-0.2 -2,-0.2 0.894 106.6 57.7 -79.3 -47.0 1.9 16.5 -7.9 244 246 A L S < S+ 0 0 5 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.298 73.2 138.9 -87.2 59.0 0.8 13.1 -9.2 245 247 A V - 0 0 41 -2,-1.9 6,-0.2 -3,-0.3 5,-0.1 -0.900 51.7-140.9-103.7 128.5 2.7 13.4 -12.5 246 248 A E S S+ 0 0 64 -2,-0.5 -71,-0.2 -72,-0.1 -1,-0.1 0.877 87.3 72.9 -58.9 -44.6 4.5 10.2 -13.5 247 249 A N S >> S- 0 0 87 1,-0.2 3,-1.3 -3,-0.1 4,-1.2 -0.636 72.1-156.8 -74.7 116.6 7.6 12.0 -14.9 248 250 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.755 91.5 58.6 -67.0 -20.3 9.5 13.1 -11.7 249 251 A S T 34 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.746 110.2 41.4 -78.3 -21.8 11.3 15.8 -13.7 250 252 A A T <4 S+ 0 0 66 -3,-1.3 -1,-0.2 -5,-0.1 3,-0.1 0.564 92.5 111.7 -96.3 -13.3 7.9 17.4 -14.7 251 253 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.269 80.6 -97.8 -62.0 143.8 6.4 16.9 -11.2 252 254 A I - 0 0 21 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.307 37.0-138.3 -61.3 146.1 5.7 20.1 -9.3 253 255 A T > - 0 0 71 -3,-0.1 4,-2.2 1,-0.1 3,-0.5 -0.585 25.5-104.1-100.9 171.5 8.4 21.0 -6.7 254 256 A I H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 118.7 58.8 -63.5 -43.3 7.7 22.3 -3.2 255 257 A P H 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.884 112.4 42.9 -55.0 -30.6 8.5 26.0 -4.0 256 258 A D H >4 S+ 0 0 75 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.820 107.6 58.1 -83.5 -29.1 5.8 25.8 -6.7 257 259 A I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.3 6,-0.2 0.901 101.8 57.9 -61.2 -38.5 3.3 23.9 -4.5 258 260 A K T 3< S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.657 106.4 48.8 -63.5 -19.9 3.7 26.9 -2.1 259 261 A K T < S+ 0 0 156 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.365 85.5 124.8 -98.8 3.6 2.5 29.1 -5.0 260 262 A D <> - 0 0 5 -3,-1.4 4,-1.6 -4,-0.4 5,-0.1 -0.243 66.4-127.2 -69.1 148.9 -0.5 27.0 -5.9 261 263 A R T 4 S+ 0 0 157 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.936 109.3 43.4 -60.9 -50.4 -4.0 28.5 -5.9 262 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.908 110.0 57.5 -63.1 -42.6 -5.6 25.9 -3.6 263 265 A Y T 34 S+ 0 0 23 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.875 113.2 39.6 -55.2 -31.5 -2.6 26.1 -1.3 264 266 A N T 3< S+ 0 0 100 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.380 85.2 117.7-102.5 7.3 -3.1 29.8 -0.8 265 267 A K S < S- 0 0 69 -3,-1.5 2,-0.5 -4,-0.4 -5,-0.0 -0.563 71.3-120.7 -78.1 131.6 -6.9 29.9 -0.6 266 268 A P + 0 0 131 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.631 61.9 133.5 -70.6 121.9 -8.1 31.3 2.8 267 269 A L + 0 0 53 -2,-0.5 2,-0.5 1,-0.2 -163,-0.1 0.612 43.8 71.5-138.2 -33.9 -10.3 28.3 4.1 268 270 A K - 0 0 91 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.855 64.0-142.5-108.1 120.0 -9.5 27.6 7.7 269 271 A K - 0 0 185 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.408 34.3-101.1 -73.1 152.6 -10.3 29.7 10.7 270 272 A G 0 0 69 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.256 360.0 360.0 -67.0 158.5 -7.8 29.9 13.5 271 273 A A 0 0 183 -3,-0.1 -1,-0.2 -132,-0.1 -132,-0.0 -0.235 360.0 360.0 -50.7 360.0 -8.5 27.7 16.6 272 !* 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 0.0 273 301 B A 0 0 114 0, 0.0 -264,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.1 7.9 -0.9 33.5 274 302 B S E -A 8 0A 80 -266,-0.3 2,-0.3 -250,-0.1 -266,-0.2 -0.938 360.0-162.2-144.8 165.3 10.3 2.0 33.9 275 303 B V E -A 7 0A 9 -268,-2.3 -268,-2.2 -2,-0.3 2,-0.3 -0.993 17.0-129.6-146.0 153.5 13.4 3.6 32.3 276 304 B S E A 6 0A 34 -2,-0.3 -270,-0.2 -270,-0.2 -271,-0.0 -0.826 360.0 360.0-107.0 154.1 16.0 6.1 33.4 277 305 B A 0 0 62 -272,-2.6 -271,-0.1 -2,-0.3 -1,-0.1 0.227 360.0 360.0 -97.7 360.0 17.1 9.3 31.6