==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JUN-12 4FTM . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,P.CHANG,A.J.RUSSELL . 263 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 65.4 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 . 44 16.7 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 1.1 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.7 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 1 1 0 1 0 1 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 1 0 3 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 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 3 A V > 0 0 146 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 115.8 3.2 4.8 -13.2 2 4 A P T 3 + 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.247 360.0 11.2 -62.9 148.9 3.7 1.1 -14.2 3 5 A F T > S+ 0 0 112 1,-0.1 3,-2.0 21,-0.0 20,-0.3 0.311 85.3 121.1 70.9 0.2 5.8 -1.3 -11.9 4 6 A V T < S+ 0 0 67 -3,-1.3 21,-0.1 1,-0.3 20,-0.1 0.692 73.2 56.4 -65.5 -18.8 6.0 1.3 -9.1 5 7 A E T 3 S+ 0 0 79 -4,-0.2 2,-0.4 17,-0.1 -1,-0.3 0.432 87.5 99.7 -90.6 -2.3 4.3 -1.4 -6.8 6 8 A D < - 0 0 68 -3,-2.0 17,-2.7 2,-0.0 18,-0.4 -0.759 48.5-177.2 -94.8 132.9 7.0 -4.1 -7.5 7 9 A W E -A 22 0A 77 -2,-0.4 2,-0.4 15,-0.3 15,-0.2 -0.988 17.6-143.6-127.2 133.7 9.8 -4.7 -4.9 8 10 A D E -A 21 0A 94 13,-3.1 13,-2.6 -2,-0.4 2,-0.7 -0.842 15.8-135.9 -94.9 130.5 12.7 -7.1 -5.3 9 11 A L E +A 20 0A 93 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.799 32.9 169.4 -83.7 113.2 13.8 -8.9 -2.0 10 12 A V E + 0 0 83 9,-2.5 2,-0.3 -2,-0.7 -1,-0.1 0.689 52.9 3.3-105.7 -22.7 17.7 -8.6 -2.2 11 13 A Q E -A 19 0A 107 8,-0.8 8,-3.0 0, 0.0 2,-0.5 -0.977 65.8-108.7-163.7 153.7 19.0 -9.7 1.3 12 14 A T E +A 18 0A 93 -2,-0.3 6,-0.2 6,-0.2 -3,-0.0 -0.732 28.7 175.0 -85.4 122.4 18.0 -11.1 4.7 13 15 A L 0 0 64 4,-2.3 5,-0.2 -2,-0.5 -1,-0.2 0.800 360.0 360.0 -93.7 -39.1 18.4 -8.5 7.5 14 16 A G 0 0 61 3,-1.7 3,-2.4 0, 0.0 -1,-0.3 -0.984 360.0 360.0-147.5 360.0 17.0 -10.6 10.3 15 ! 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 16 22 A E 0 0 75 0, 0.0 17,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.5 12.0 -13.0 8.8 17 23 A V E - B 0 32A 40 -3,-2.4 -4,-2.3 15,-0.2 -3,-1.7 -0.973 360.0-168.5-115.0 125.3 12.9 -9.4 7.8 18 24 A Q E -AB 12 31A 37 13,-2.9 13,-3.1 -2,-0.5 2,-0.6 -0.897 25.0-122.2-116.0 144.2 14.0 -8.8 4.1 19 25 A L E -AB 11 30A 12 -8,-3.0 -9,-2.5 -2,-0.3 -8,-0.8 -0.752 33.9-162.2 -81.3 119.0 15.6 -5.8 2.5 20 26 A A E -AB 9 29A 0 9,-3.6 9,-2.7 -2,-0.6 2,-0.4 -0.922 7.1-162.4-108.9 132.8 13.2 -4.8 -0.4 21 27 A V E -AB 8 28A 37 -13,-2.6 -13,-3.1 -2,-0.4 7,-0.2 -0.962 24.4-119.8-115.8 126.8 14.3 -2.5 -3.3 22 28 A N E > -A 7 0A 3 5,-2.6 4,-1.4 -2,-0.4 -15,-0.3 -0.476 14.0-137.4 -70.1 132.4 11.6 -0.9 -5.5 23 29 A R T 4 S+ 0 0 126 -17,-2.7 -1,-0.1 -20,-0.3 -19,-0.1 0.748 98.4 28.1 -58.1 -33.2 11.9 -1.9 -9.2 24 30 A V T 4 S+ 0 0 61 -18,-0.4 -1,-0.1 -21,-0.3 -20,-0.1 0.889 132.7 25.9 -96.6 -60.6 11.3 1.7 -10.4 25 31 A T T 4 S- 0 0 70 -21,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.588 88.5-133.4 -83.3 -17.7 12.5 4.2 -7.8 26 32 A E < + 0 0 150 -4,-1.4 -3,-0.1 1,-0.2 -1,-0.0 0.568 47.1 162.5 66.8 18.1 15.2 1.9 -6.1 27 33 A E - 0 0 115 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.399 32.7-136.0 -64.8 138.2 13.7 3.0 -2.7 28 34 A A E +B 21 0A 42 -7,-0.2 43,-0.5 -3,-0.1 2,-0.3 -0.875 30.1 167.1-103.8 131.4 14.8 0.6 -0.0 29 35 A V E -BC 20 70A 11 -9,-2.7 -9,-3.6 -2,-0.4 2,-0.4 -0.958 34.1-120.6-136.3 156.5 12.4 -0.7 2.6 30 36 A A E -BC 19 69A 8 39,-3.3 39,-3.7 -2,-0.3 2,-0.5 -0.837 26.4-159.7 -97.1 132.0 12.5 -3.5 5.2 31 37 A V E -BC 18 68A 3 -13,-3.1 -13,-2.9 -2,-0.4 2,-0.6 -0.972 6.9-150.5-117.6 124.9 9.7 -6.1 4.8 32 38 A K E -BC 17 67A 40 35,-2.8 35,-2.6 -2,-0.5 2,-0.6 -0.837 12.9-164.3 -94.6 116.4 8.7 -8.3 7.7 33 39 A I E C 0 66A 42 -17,-3.1 33,-0.2 -2,-0.6 -2,-0.0 -0.939 360.0 360.0-103.8 116.4 7.4 -11.7 6.4 34 40 A V 0 0 86 31,-2.3 31,-2.1 -2,-0.6 -2,-0.0 -0.946 360.0 360.0-119.3 360.0 5.4 -13.8 9.0 35 ! 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 36 51 A N > 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.2 0.1 -11.1 18.1 37 52 A I H > + 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.848 360.0 53.5 -68.4 -32.9 0.8 -10.0 14.5 38 53 A K H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 111.2 46.1 -66.0 -39.5 -2.6 -8.1 14.5 39 54 A K H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.919 111.0 52.0 -67.9 -44.6 -1.5 -6.3 17.7 40 55 A E H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 113.3 45.0 -58.9 -42.0 2.0 -5.5 16.3 41 56 A I H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 113.5 50.1 -67.7 -45.4 0.3 -4.0 13.1 42 57 A C H X S+ 0 0 78 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.897 113.3 44.8 -62.2 -42.4 -2.2 -2.0 15.3 43 58 A I H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.2 4,-0.4 0.954 112.6 52.7 -67.1 -44.4 0.5 -0.6 17.5 44 59 A N H >< S+ 0 0 5 -4,-2.4 3,-1.5 1,-0.3 11,-0.3 0.841 101.6 59.4 -57.8 -37.9 2.7 0.2 14.5 45 60 A K H 3< S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.720 103.1 54.5 -64.1 -22.7 -0.2 2.1 12.8 46 61 A M T << S+ 0 0 86 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.3 0.578 91.9 97.0 -82.1 -14.6 -0.3 4.5 15.9 47 62 A L < + 0 0 21 -3,-1.5 8,-0.4 -4,-0.4 2,-0.2 -0.680 31.7 152.3 -95.6 134.9 3.5 5.4 15.6 48 63 A N + 0 0 142 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.707 28.0 122.3-156.1 90.7 5.0 8.5 14.0 49 64 A H > - 0 0 37 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.971 62.5-123.6-155.1 144.6 8.4 9.6 15.4 50 65 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.641 114.0 47.7 -63.3 -19.5 11.9 10.2 14.1 51 66 A N T 3 S+ 0 0 12 79,-0.1 80,-2.6 50,-0.1 2,-0.4 0.058 100.8 78.7-110.2 24.1 13.4 7.8 16.7 52 67 A V B < S-e 131 0B 3 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -0.998 94.3-106.3-129.0 128.9 10.8 5.0 15.9 53 68 A V - 0 0 10 78,-2.6 2,-0.1 -2,-0.4 -6,-0.1 -0.303 46.6-114.1 -57.4 123.4 11.2 2.8 12.8 54 69 A K - 0 0 33 -4,-0.1 16,-2.7 -6,-0.1 2,-0.6 -0.354 18.6-143.3 -65.8 141.9 8.5 4.0 10.4 55 70 A F E +D 69 0A 40 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.933 18.7 178.0-106.3 118.9 5.5 1.8 9.5 56 71 A Y E - 0 0 137 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.720 53.7 -74.6 -94.7 -25.6 4.5 2.2 5.8 57 72 A G E -D 68 0A 21 11,-1.1 11,-3.0 2,-0.0 -1,-0.3 -0.905 39.5-106.2 153.5-179.6 1.7 -0.4 5.7 58 73 A H E -D 67 0A 100 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 15.3-165.9-141.6 155.2 0.8 -4.1 5.5 59 74 A R E -D 66 0A 135 7,-2.1 7,-2.7 -2,-0.3 2,-0.5 -0.994 9.5-152.0-142.4 135.2 -0.5 -6.7 3.0 60 75 A R E +D 65 0A 64 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.958 12.5 179.6-113.4 116.9 -1.9 -10.2 3.6 61 76 A E E > -D 64 0A 42 3,-2.0 3,-1.4 -2,-0.5 2,-0.4 -0.924 67.3 -50.5-118.6 97.1 -1.6 -12.8 0.8 62 77 A G T 3 S- 0 0 81 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.623 119.8 -22.1 77.7-121.7 -3.1 -16.1 1.9 63 78 A N T 3 S+ 0 0 106 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.2 0.420 118.2 95.3-100.1 -1.6 -1.8 -17.0 5.4 64 79 A I E < - D 0 61A 77 -3,-1.4 -3,-2.0 -31,-0.0 2,-0.4 -0.811 61.5-153.0 -97.2 128.8 1.4 -14.9 5.1 65 80 A Q E - D 0 60A 45 -31,-2.1 -31,-2.3 -2,-0.5 2,-0.5 -0.851 5.3-159.2-101.0 131.3 1.5 -11.3 6.5 66 81 A Y E -CD 33 59A 53 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.5 -0.968 3.8-166.9-113.0 118.9 3.8 -8.7 5.0 67 82 A L E -CD 32 58A 0 -35,-2.6 -35,-2.8 -2,-0.5 2,-0.6 -0.949 11.1-148.9-106.7 125.0 4.8 -5.6 7.1 68 83 A F E +CD 31 57A 39 -11,-3.0 -12,-2.3 -2,-0.5 -11,-1.1 -0.870 29.3 172.0 -96.3 119.0 6.4 -2.8 5.1 69 84 A L E -CD 30 55A 21 -39,-3.7 -39,-3.3 -2,-0.6 -14,-0.2 -0.915 39.0 -83.7-130.1 157.8 8.9 -0.9 7.4 70 85 A E E -C 29 0A 29 -16,-2.7 2,-0.5 -2,-0.3 -41,-0.2 -0.313 44.2-128.8 -57.9 132.9 11.6 1.8 7.3 71 86 A Y - 0 0 62 -43,-0.5 2,-0.7 -51,-0.1 -43,-0.1 -0.777 16.1-160.2 -89.2 128.6 15.0 0.4 6.3 72 87 A C > - 0 0 11 -2,-0.5 3,-1.5 52,-0.1 51,-0.3 -0.895 5.2-171.8-113.7 96.0 17.8 1.3 8.7 73 88 A S T 3 S+ 0 0 58 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.672 77.7 68.5 -68.7 -19.5 21.1 0.9 6.7 74 89 A G T 3 S- 0 0 21 49,-2.0 -1,-0.3 1,-0.2 50,-0.2 0.565 95.1-149.7 -73.1 -13.3 23.4 1.4 9.7 75 90 A G E < -F 123 0B 28 -3,-1.5 48,-2.2 48,-0.7 -1,-0.2 -0.286 41.0 -10.9 78.0-158.7 22.1 -1.9 11.2 76 91 A E E > -F 122 0B 60 46,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.519 48.5-134.5 -80.7 145.2 21.8 -2.8 14.9 77 92 A L G > S+ 0 0 0 44,-3.0 3,-2.3 41,-0.8 4,-0.4 0.848 105.6 72.6 -58.1 -35.3 23.2 -0.7 17.8 78 93 A F G > S+ 0 0 96 40,-1.4 3,-1.2 43,-0.3 -1,-0.2 0.844 91.9 54.3 -47.3 -40.4 24.4 -4.1 19.0 79 94 A D G < S+ 0 0 119 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.500 101.2 59.6 -80.0 -2.3 27.1 -4.2 16.2 80 95 A R G < S+ 0 0 89 -3,-2.3 2,-0.7 -4,-0.2 -1,-0.3 0.401 86.0 90.8 -98.1 -4.0 28.5 -0.7 17.3 81 96 A I S < S- 0 0 25 -3,-1.2 6,-0.2 -4,-0.4 105,-0.1 -0.861 72.2-145.6 -96.8 117.8 29.3 -2.1 20.8 82 97 A E B >> -H 86 0C 62 4,-2.8 4,-2.6 -2,-0.7 3,-2.2 -0.702 32.3-103.1 -80.5 125.5 32.9 -3.5 21.0 83 98 A P T 34 S- 0 0 112 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.187 101.1 -1.6 -52.7 134.1 33.0 -6.5 23.4 84 99 A D T 34 S+ 0 0 100 105,-3.1 105,-0.2 1,-0.2 106,-0.1 0.338 135.0 59.7 67.3 -0.6 34.5 -5.6 26.8 85 100 A I T <4 S- 0 0 121 -3,-2.2 2,-0.5 1,-0.2 104,-0.3 0.725 76.8-163.2-118.3 -51.3 35.1 -2.0 25.6 86 101 A G B < -H 82 0C 1 -4,-2.6 -4,-2.8 102,-0.3 101,-0.2 -0.861 38.4 -70.1 100.3-127.9 31.8 -0.4 24.6 87 102 A M - 0 0 23 99,-1.4 5,-0.1 -2,-0.5 -6,-0.1 -0.950 64.2 -57.1-154.8 171.1 32.1 2.8 22.4 88 103 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.228 50.1-124.4 -57.3 137.1 33.3 6.4 22.8 89 104 A E H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 109.0 55.8 -53.4 -38.4 31.3 8.1 25.6 90 105 A P H 3> S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.895 109.0 47.5 -65.7 -35.0 30.1 11.0 23.3 91 106 A D H <> S+ 0 0 49 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.900 111.7 50.0 -67.6 -42.8 28.6 8.5 20.8 92 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.907 109.8 51.7 -63.7 -37.7 26.9 6.6 23.7 93 108 A Q H X S+ 0 0 9 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.925 110.0 48.2 -64.7 -43.4 25.5 9.9 25.0 94 109 A R H X S+ 0 0 60 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.935 113.9 46.7 -64.6 -43.8 24.0 10.8 21.6 95 110 A F H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 112.1 51.4 -63.7 -38.4 22.5 7.3 21.2 96 111 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.900 107.9 51.5 -65.8 -42.4 21.1 7.6 24.7 97 112 A H H X S+ 0 0 58 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.915 112.9 46.4 -57.0 -42.9 19.5 11.0 24.0 98 113 A Q H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 110.7 52.0 -69.5 -37.9 17.8 9.5 20.9 99 114 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.945 110.0 49.2 -63.8 -44.2 16.6 6.5 22.8 100 115 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.889 108.5 53.6 -63.4 -39.8 15.1 8.7 25.5 101 116 A A H X S+ 0 0 32 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.911 112.5 44.3 -59.5 -43.8 13.3 10.8 22.7 102 117 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 115.0 47.4 -66.4 -43.3 11.8 7.6 21.3 103 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.895 110.3 52.6 -67.9 -41.9 10.8 6.2 24.7 104 119 A V H X S+ 0 0 53 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.912 110.7 49.6 -54.6 -46.4 9.3 9.6 25.8 105 120 A Y H X S+ 0 0 47 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.962 112.5 44.7 -60.6 -53.7 7.2 9.5 22.6 106 121 A L H ><>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 3,-0.8 0.929 114.9 48.0 -58.8 -49.6 5.9 6.0 23.1 107 122 A H H ><5S+ 0 0 8 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.873 107.0 58.7 -61.1 -34.2 5.1 6.5 26.8 108 123 A G H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.0 43.3 -65.1 -28.7 3.3 9.8 25.9 109 124 A I T <<5S- 0 0 58 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.325 124.2-104.7-100.5 9.6 0.9 7.8 23.6 110 125 A G T < 5S+ 0 0 1 -3,-1.3 30,-2.7 -4,-0.3 31,-1.2 0.686 76.7 132.0 80.8 24.8 0.5 5.1 26.2 111 126 A I E < -I 139 0D 0 -5,-2.6 2,-0.4 28,-0.2 -1,-0.3 -0.917 38.9-161.7-110.6 136.2 2.7 2.4 24.6 112 127 A T E -I 138 0D 0 26,-2.6 26,-1.9 -2,-0.4 60,-0.1 -0.928 8.6-155.8-111.9 137.8 5.4 0.3 26.4 113 128 A H - 0 0 2 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.907 14.9-168.0 -76.6 -47.6 8.0 -1.5 24.2 114 129 A R S S+ 0 0 36 57,-0.1 41,-0.1 1,-0.1 -1,-0.1 0.369 71.3 59.5 73.4 2.0 8.9 -4.2 26.8 115 130 A D + 0 0 17 39,-0.1 2,-0.4 18,-0.1 5,-0.1 -0.097 61.7 162.0-150.7 46.6 12.0 -5.5 25.0 116 131 A I + 0 0 1 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.542 20.5 132.9 -70.5 124.4 14.4 -2.6 24.7 117 132 A K S > S- 0 0 37 -2,-0.4 3,-1.9 64,-0.1 4,-0.3 -0.943 70.3 -94.2-163.5 163.6 17.9 -4.0 23.9 118 133 A P G > S+ 0 0 1 0, 0.0 -40,-1.4 0, 0.0 3,-1.0 0.783 120.8 62.4 -64.1 -20.7 20.7 -3.1 21.4 119 134 A E G 3 S+ 0 0 59 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.747 107.3 45.3 -69.6 -25.7 19.4 -5.8 18.9 120 135 A N G < S+ 0 0 12 -3,-1.9 12,-2.8 -5,-0.1 2,-0.6 0.275 95.2 84.6-101.5 5.9 16.1 -3.8 18.7 121 136 A L E < - G 0 131B 0 -3,-1.0 -44,-3.0 -4,-0.3 -43,-0.3 -0.965 65.7-168.7-113.0 111.2 17.7 -0.3 18.3 122 137 A L E -FG 76 130B 36 8,-3.1 8,-3.0 -2,-0.6 2,-0.4 -0.684 13.5-135.7-103.8 162.0 18.6 0.3 14.7 123 138 A L E -FG 75 129B 0 -48,-2.2 -49,-2.0 -51,-0.3 -48,-0.7 -0.959 11.0-145.8-119.8 133.3 20.6 3.0 13.0 124 139 A D > - 0 0 12 4,-2.3 3,-2.0 -2,-0.4 -52,-0.1 -0.148 48.0 -79.1 -82.7-175.9 19.7 4.9 9.8 125 140 A E T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -53,-0.1 0.699 135.0 47.7 -59.7 -22.6 22.3 6.1 7.2 126 141 A R T 3 S- 0 0 195 2,-0.1 -1,-0.3 132,-0.0 3,-0.1 0.107 122.8-104.4-103.7 20.1 23.2 9.2 9.5 127 142 A D < + 0 0 57 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.751 66.5 159.0 59.8 31.5 23.5 6.9 12.6 128 143 A N - 0 0 47 1,-0.0 -4,-2.3 -30,-0.0 2,-0.3 -0.718 41.7-121.6 -83.2 131.1 20.2 8.1 13.9 129 144 A L E - G 0 123B 1 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.583 29.8-172.5 -79.8 135.0 18.8 5.7 16.4 130 145 A K E - G 0 122B 20 -8,-3.0 -8,-3.1 -2,-0.3 2,-0.4 -0.996 22.5-129.4-131.5 129.2 15.4 4.1 15.8 131 146 A I E -eG 52 121B 0 -80,-2.6 -78,-2.6 -2,-0.4 2,-0.2 -0.624 38.2-179.4 -77.3 129.0 13.4 1.9 18.1 132 147 A S + 0 0 15 -12,-2.8 -12,-0.0 -2,-0.4 -78,-0.0 -0.758 36.9 49.4-128.8 171.8 12.3 -1.3 16.3 133 148 A D - 0 0 75 -2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.996 41.6-176.3 61.0 91.6 10.3 -4.6 16.8 134 149 A F > + 0 0 6 1,-0.2 3,-0.6 2,-0.1 -91,-0.1 0.102 49.9 114.6 -99.8 22.8 6.9 -3.8 18.4 135 150 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.2 -20,-0.1 -95,-0.1 0.644 85.0 34.1 -66.6 -24.2 6.0 -7.6 18.7 136 151 A L T 3 S+ 0 0 69 -3,-0.4 -1,-0.2 -23,-0.3 -2,-0.1 0.374 95.3 117.5-109.1 0.2 6.0 -7.5 22.5 137 152 A A < + 0 0 2 -3,-0.6 2,-0.3 -22,-0.1 -24,-0.2 -0.238 38.7 176.0 -70.4 155.7 4.7 -4.0 22.9 138 153 A T E -I 112 0D 3 -26,-1.9 -26,-2.6 -95,-0.0 2,-0.5 -0.970 35.8 -95.7-154.2 166.6 1.4 -3.2 24.5 139 154 A V E +I 111 0D 38 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.751 35.1 168.9 -87.1 125.9 -0.9 -0.4 25.6 140 155 A F + 0 0 2 -30,-2.7 7,-3.1 -2,-0.5 2,-0.4 0.438 69.0 43.8-113.0 -11.4 -0.4 0.6 29.3 141 156 A R E +J 146 0E 66 -31,-1.2 2,-0.3 5,-0.2 -1,-0.3 -0.972 61.5 163.7-138.9 126.2 -2.5 3.9 29.3 142 157 A Y E > S+J 145 0E 170 3,-2.0 3,-1.5 -2,-0.4 -32,-0.1 -0.992 72.4 1.3-144.5 132.7 -5.9 4.3 27.6 143 158 A N T 3 S- 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.887 129.6 -62.4 53.2 41.5 -8.4 7.1 28.1 144 159 A N T 3 S+ 0 0 143 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.646 112.9 120.7 57.2 25.4 -5.9 8.6 30.6 145 160 A R E < -J 142 0E 188 -3,-1.5 -3,-2.0 2,-0.0 2,-0.3 -0.969 57.1-139.6-118.5 122.7 -6.2 5.5 32.8 146 161 A E E -J 141 0E 67 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.596 10.6-155.0 -80.9 141.0 -3.1 3.4 33.5 147 162 A R - 0 0 111 -7,-3.1 24,-0.3 -2,-0.3 2,-0.2 -0.942 15.9-128.2-116.3 135.7 -3.2 -0.3 33.5 148 163 A L - 0 0 66 -2,-0.4 2,-0.2 22,-0.1 22,-0.2 -0.564 23.6-129.8 -79.9 147.1 -0.7 -2.3 35.5 149 164 A L B +K 169 0F 4 20,-2.8 20,-2.1 -2,-0.2 -1,-0.0 -0.615 31.5 167.3 -95.3 156.1 1.1 -5.1 33.7 150 165 A N + 0 0 102 -2,-0.2 2,-0.1 18,-0.2 -1,-0.1 0.412 42.8 107.0-136.8 -17.5 1.5 -8.7 34.9 151 166 A K S S- 0 0 40 1,-0.1 2,-0.7 0, 0.0 -2,-0.0 -0.470 71.5-119.8 -71.9 144.7 2.8 -10.7 31.8 152 167 A M + 0 0 131 -2,-0.1 2,-0.3 12,-0.0 -1,-0.1 -0.749 51.8 154.4 -81.8 108.0 6.5 -11.8 31.7 153 168 A C + 0 0 25 -2,-0.7 2,-0.3 2,-0.0 -39,-0.1 -0.960 25.8 45.1-136.0 153.5 7.9 -10.1 28.7 154 169 A G S S- 0 0 30 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.823 84.8 -59.0 119.7-162.1 11.4 -9.1 27.7 155 170 A T >> - 0 0 36 -2,-0.3 3,-2.2 -39,-0.1 4,-0.8 -0.996 46.3-124.1-132.8 121.7 15.0 -10.5 27.7 156 171 A L G >4 S+ 0 0 80 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.795 106.3 51.5 -44.2 -49.7 16.4 -11.6 31.1 157 172 A P G 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 0.745 119.0 39.6 -62.6 -20.9 19.6 -9.4 31.2 158 173 A Y G <4 S+ 0 0 13 -3,-2.2 -2,-0.2 36,-0.1 23,-0.2 0.475 91.4 109.7-101.9 -8.5 17.5 -6.3 30.4 159 174 A V S << S- 0 0 10 -3,-1.1 -5,-0.1 -4,-0.8 16,-0.1 -0.438 70.4-116.2 -77.0 146.5 14.4 -7.0 32.6 160 175 A A >> - 0 0 0 -2,-0.1 3,-1.3 1,-0.1 4,-0.5 -0.483 25.0-117.7 -76.2 149.6 13.7 -4.9 35.7 161 176 A P H >> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-1.1 0.786 109.5 66.4 -62.7 -29.2 13.7 -6.8 39.0 162 177 A E H 3> S+ 0 0 4 1,-0.2 4,-2.6 71,-0.2 3,-0.1 0.790 91.4 63.8 -63.0 -27.8 10.0 -6.1 39.7 163 178 A L H <4 S+ 0 0 13 -3,-1.3 -1,-0.2 1,-0.2 6,-0.0 0.816 110.9 38.2 -63.9 -30.0 9.1 -8.4 36.7 164 179 A L H << S+ 0 0 61 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.621 126.2 36.2 -91.9 -17.4 10.7 -11.3 38.6 165 180 A K H < S+ 0 0 81 -4,-1.1 2,-0.3 1,-0.1 -2,-0.2 0.665 108.0 58.0-108.5 -25.3 9.4 -10.3 42.2 166 181 A R < - 0 0 168 -4,-2.6 -1,-0.1 -5,-0.2 3,-0.1 -0.901 61.8-142.8-119.5 147.8 6.0 -8.8 41.8 167 182 A R S S+ 0 0 193 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.871 93.8 22.7 -69.8 -39.4 2.6 -10.0 40.4 168 183 A E S S+ 0 0 79 -6,-0.0 2,-0.3 -18,-0.0 -18,-0.2 -0.945 71.1 170.8-130.1 151.5 1.8 -6.6 39.0 169 184 A F B -K 149 0F 14 -20,-2.1 -20,-2.8 -2,-0.3 2,-0.2 -0.994 37.6 -95.5-157.9 156.4 4.0 -3.6 38.1 170 185 A H > - 0 0 82 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.501 30.7-140.4 -72.3 137.6 4.0 -0.2 36.4 171 186 A A H > S+ 0 0 0 -24,-0.3 4,-1.3 -2,-0.2 3,-0.5 0.875 89.6 59.6 -68.1 -45.3 5.1 -0.3 32.7 172 187 A E H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.907 100.8 51.7 -61.2 -45.7 7.2 2.9 32.4 173 188 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.801 105.0 59.2 -63.3 -24.9 9.9 2.1 35.0 174 189 A V H X S+ 0 0 15 -4,-0.6 4,-2.0 -3,-0.5 -2,-0.2 0.934 108.0 43.7 -65.1 -46.1 10.5 -1.3 33.3 175 190 A D H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.880 111.9 54.6 -66.6 -37.9 11.4 0.5 30.0 176 191 A V H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.938 107.4 50.8 -59.7 -46.7 13.6 3.0 32.0 177 192 A W H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.3 0.931 108.4 50.0 -55.2 -51.0 15.5 0.0 33.6 178 193 A S H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.896 107.1 56.0 -61.9 -33.1 16.2 -1.6 30.2 179 194 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.871 105.6 52.2 -63.8 -38.0 17.5 1.8 28.9 180 195 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.877 108.7 49.1 -66.4 -35.5 20.0 1.8 31.8 181 196 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 110.6 51.1 -70.4 -37.1 21.2 -1.7 30.9 182 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.933 109.8 49.9 -61.1 -45.0 21.6 -0.5 27.2 183 198 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 109.5 51.6 -61.2 -39.4 23.6 2.5 28.5 184 199 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.933 110.8 48.1 -60.4 -48.5 25.8 0.1 30.6 185 200 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 111.0 50.9 -61.6 -41.0 26.5 -2.1 27.5 186 201 A M H < S+ 0 0 1 -4,-2.6 -99,-1.4 1,-0.2 -1,-0.2 0.836 117.9 38.4 -64.6 -37.5 27.4 1.0 25.4 187 202 A L H < S+ 0 0 15 -4,-1.9 -1,-0.2 -101,-0.2 -2,-0.2 0.647 132.5 22.2 -90.7 -16.3 29.8 2.3 28.0 188 203 A A H < S- 0 0 0 -4,-1.8 -102,-0.3 2,-0.2 -3,-0.2 0.522 88.7-128.9-125.7 -14.1 31.4 -1.1 29.1 189 204 A G S < S+ 0 0 14 -4,-2.5 -105,-3.1 -5,-0.3 2,-0.3 0.799 81.2 81.7 67.3 24.1 30.8 -3.6 26.3 190 205 A E S S- 0 0 59 -6,-0.3 -2,-0.2 -107,-0.2 -1,-0.2 -0.981 79.2-116.9-156.6 151.8 29.4 -6.1 28.7 191 206 A L - 0 0 65 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.762 23.3-136.6 -90.9 142.4 26.1 -6.8 30.5 192 207 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.843 75.9 0.4 -74.2 -30.8 26.2 -6.5 34.3 193 208 A W - 0 0 6 -36,-0.2 7,-0.0 1,-0.1 0, 0.0 -0.987 59.1-120.7-152.6 160.1 24.2 -9.7 35.2 194 209 A D S S- 0 0 128 -2,-0.3 -36,-0.1 1,-0.3 -1,-0.1 0.844 101.9 -16.0 -66.8 -35.2 22.4 -12.7 33.7 195 210 A Q S S- 0 0 66 2,-0.1 2,-1.9 -38,-0.1 -1,-0.3 -0.951 74.1-101.1-163.9 155.0 19.2 -11.4 35.5 196 211 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.461 72.9 126.3 -87.2 73.1 18.4 -8.9 38.4 197 212 A S S > S- 0 0 16 -2,-1.9 3,-1.8 1,-0.1 7,-0.3 -0.919 70.9-120.8-124.6 151.9 17.9 -11.5 41.2 198 213 A D T 3 S+ 0 0 87 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.770 113.2 65.3 -62.2 -23.0 19.5 -11.7 44.7 199 214 A S T 3 S+ 0 0 111 4,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.692 85.3 86.2 -70.3 -18.9 20.8 -15.2 43.6 200 215 A C S X> S- 0 0 14 -3,-1.8 4,-2.2 1,-0.2 3,-0.5 -0.772 71.2-154.6 -88.4 112.2 23.0 -13.4 41.0 201 216 A Q H 3> S+ 0 0 114 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.852 93.6 54.8 -52.3 -42.4 26.3 -12.4 42.7 202 217 A E H 3> S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 108.7 48.1 -62.4 -38.4 26.8 -9.5 40.2 203 218 A Y H <> S+ 0 0 1 -3,-0.5 4,-2.0 -6,-0.3 -2,-0.2 0.926 112.3 48.0 -70.1 -43.7 23.4 -8.1 41.0 204 219 A S H X S+ 0 0 26 -4,-2.2 4,-1.8 -7,-0.3 -2,-0.2 0.890 109.3 54.5 -62.0 -39.0 24.0 -8.4 44.8 205 220 A D H <>S+ 0 0 24 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.900 108.0 49.9 -62.2 -39.2 27.5 -6.7 44.3 206 221 A W H ><5S+ 0 0 12 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.913 109.1 49.9 -65.7 -43.2 25.7 -3.7 42.5 207 222 A K H 3<5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.0 53.6 -67.3 -26.9 23.2 -3.3 45.4 208 223 A E T 3<5S- 0 0 117 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.304 117.3-119.4 -85.3 5.7 26.2 -3.4 47.8 209 224 A K T < 5 + 0 0 145 -3,-1.7 2,-2.1 1,-0.2 -3,-0.2 0.741 54.5 160.4 59.5 37.2 27.7 -0.5 45.7 210 225 A K > < + 0 0 55 -5,-2.5 3,-1.2 1,-0.2 -1,-0.2 -0.444 6.5 154.0 -85.4 70.8 30.9 -2.4 44.7 211 226 A T T 3 + 0 0 40 -2,-2.1 -1,-0.2 1,-0.3 -5,-0.1 0.416 55.6 81.3 -85.4 2.8 31.6 -0.1 41.7 212 227 A Y T 3 S+ 0 0 163 -3,-0.1 -1,-0.3 4,-0.1 2,-0.3 0.425 86.6 77.5 -79.5 -5.0 35.3 -1.0 41.9 213 228 A L S <> S- 0 0 61 -3,-1.2 4,-1.6 1,-0.1 3,-0.4 -0.724 92.4 -57.7-100.7 161.9 34.3 -4.2 39.9 214 229 A N T 4 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.410 113.9 23.4 -72.7 148.0 33.5 -4.6 36.2 215 230 A P T >4 S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.992 126.2 49.5 -83.8 -10.9 31.4 -3.4 34.4 216 231 A W G >4 S+ 0 0 8 -3,-0.4 3,-1.8 1,-0.3 -2,-0.2 0.787 100.3 64.1 -63.5 -35.3 31.2 -0.3 36.7 217 232 A K G 3< S+ 0 0 59 -4,-1.6 -1,-0.3 1,-0.3 -3,-0.1 0.695 99.4 55.9 -62.1 -22.3 35.0 0.4 37.0 218 233 A K G < S+ 0 0 71 -3,-1.6 2,-0.4 -5,-0.2 -1,-0.3 0.499 93.7 86.3 -86.3 -6.9 35.1 1.1 33.2 219 234 A I S < S- 0 0 13 -3,-1.8 -31,-0.1 -4,-0.2 -35,-0.0 -0.836 82.2-116.7-106.5 132.4 32.4 3.8 33.4 220 235 A D > - 0 0 75 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.210 30.3-110.5 -62.7 152.0 33.2 7.4 34.2 221 236 A S H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.825 112.8 56.6 -56.7 -37.8 31.7 8.8 37.5 222 237 A A H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 27,-0.4 0.983 114.7 35.7 -65.8 -54.4 29.2 11.2 35.7 223 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.867 116.2 57.4 -65.8 -28.6 27.4 8.4 33.6 224 239 A L H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 101.6 54.9 -66.6 -35.1 27.9 6.0 36.6 225 240 A A H X S+ 0 0 46 -4,-2.3 4,-0.7 -3,-0.2 -1,-0.2 0.862 108.6 49.4 -64.9 -33.8 26.0 8.5 38.8 226 241 A L H >X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 3,-1.1 0.934 108.7 51.3 -67.9 -46.2 23.1 8.3 36.3 227 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 -2,-0.2 0.880 102.8 60.2 -61.5 -33.3 23.2 4.5 36.3 228 243 A H H 3< S+ 0 0 63 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.799 109.4 44.3 -60.7 -28.4 23.0 4.6 40.1 229 244 A K H << S+ 0 0 85 -3,-1.1 10,-2.1 -4,-0.7 3,-0.3 0.761 118.3 42.1 -88.3 -28.0 19.6 6.5 39.7 230 245 A I H < S+ 0 0 0 -4,-1.8 2,-1.5 1,-0.2 -2,-0.2 0.899 106.9 57.6 -81.7 -51.0 18.3 4.2 36.9 231 246 A L S < S+ 0 0 5 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.305 73.9 139.3 -86.3 58.0 19.3 0.7 38.2 232 247 A V - 0 0 40 -2,-1.5 6,-0.1 -3,-0.3 -3,-0.1 -0.851 51.2-141.4-101.2 127.0 17.4 1.2 41.5 233 248 A E S S+ 0 0 62 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.874 86.5 71.9 -61.2 -46.9 15.5 -2.0 42.6 234 249 A N S >> S- 0 0 90 1,-0.2 4,-1.0 -73,-0.1 3,-1.0 -0.644 72.3-156.0 -70.8 113.0 12.4 -0.3 43.9 235 250 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.763 92.3 58.9 -65.9 -22.8 10.6 0.9 40.7 236 251 A S T 34 S+ 0 0 105 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.749 111.0 41.5 -75.2 -23.0 8.8 3.7 42.8 237 252 A A T <4 S+ 0 0 66 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.542 92.5 111.8 -94.7 -12.6 12.2 5.2 43.8 238 253 A R S < S- 0 0 11 -4,-1.0 -8,-0.2 -6,-0.1 -9,-0.1 -0.296 80.3 -97.9 -66.5 143.0 13.7 4.7 40.3 239 254 A I - 0 0 20 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.323 36.8-135.8 -60.9 145.7 14.4 7.9 38.3 240 255 A T > - 0 0 73 -3,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.583 24.1-106.2 -96.8 167.5 11.8 8.9 35.8 241 256 A I H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 118.8 56.9 -66.4 -42.8 12.5 10.1 32.3 242 257 A P H 4 S+ 0 0 82 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.889 112.6 44.2 -54.0 -33.1 11.8 13.9 33.0 243 258 A D H >4 S+ 0 0 74 -3,-0.3 3,-0.9 2,-0.2 4,-0.4 0.830 107.1 57.6 -80.8 -30.4 14.4 13.6 35.8 244 259 A I H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 6,-0.2 0.918 102.1 57.6 -59.2 -42.8 16.9 11.7 33.5 245 260 A K T 3< S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.5 48.7 -62.0 -19.2 16.6 14.8 31.2 246 261 A K T < S+ 0 0 154 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.421 86.2 123.6 -97.1 -0.9 17.8 16.9 34.2 247 262 A D <> - 0 0 5 -3,-1.7 4,-1.5 -4,-0.4 5,-0.1 -0.261 67.4-127.4 -66.6 146.8 20.8 14.6 34.9 248 263 A R T 4 S+ 0 0 178 2,-0.2 3,-0.3 1,-0.2 4,-0.2 0.923 108.4 42.7 -60.9 -50.5 24.3 16.1 34.9 249 264 A W T >4 S+ 0 0 0 -27,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.911 109.5 58.3 -65.6 -41.3 25.8 13.6 32.5 250 265 A Y T 34 S+ 0 0 25 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.861 114.0 39.2 -53.7 -36.6 22.8 13.7 30.2 251 266 A N T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.303 88.7 119.0 -98.4 8.5 23.3 17.5 29.9 252 267 A K < - 0 0 85 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.602 69.1-120.7 -79.7 129.9 27.2 17.4 29.7 253 268 A P + 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.492 61.9 128.5 -71.6 123.7 28.7 18.7 26.4 254 269 A L + 0 0 53 -2,-0.3 2,-0.5 1,-0.2 -163,-0.1 0.531 45.3 72.2-135.9 -49.5 30.7 15.9 24.9 255 270 A K - 0 0 97 -165,-0.2 -1,-0.2 -166,-0.1 2,-0.1 -0.815 62.0-145.6 -97.4 122.6 29.8 15.2 21.2 256 271 A K - 0 0 183 -2,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.468 35.8 -98.1 -74.5 152.3 30.7 17.5 18.3 257 272 A G - 0 0 68 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.024 60.2 -61.1 -63.3 172.4 28.2 17.7 15.5 258 273 A A - 0 0 103 1,-0.1 2,-0.4 -132,-0.0 -1,-0.2 -0.286 66.1 -95.2 -58.6 140.4 28.6 15.6 12.2 259 274 A K - 0 0 112 -3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.466 46.9-161.1 -62.8 113.1 31.8 16.4 10.3 260 275 A R - 0 0 83 -2,-0.4 -1,-0.0 -3,-0.1 -3,-0.0 -0.714 27.3 -94.8 -95.9 147.9 30.8 19.0 7.7 261 276 A P + 0 0 137 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.349 53.0 169.6 -65.6 142.3 33.0 19.8 4.5 262 277 A R - 0 0 97 2,-0.0 2,-0.3 -2,-0.0 0, 0.0 -0.991 21.7-156.1-152.4 154.2 35.4 22.7 4.9 263 278 A V - 0 0 151 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.921 17.0-128.8-130.5 157.3 38.4 24.4 3.1 264 279 A T 0 0 98 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.800 360.0 360.0-108.7 149.2 41.2 26.7 4.4 265 280 A S 0 0 180 -2,-0.3 -2,-0.0 0, 0.0 -1,-0.0 -0.230 360.0 360.0 53.4 360.0 42.3 30.1 3.0