==== 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 05-MAY-05 2BRG . 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, . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 67.3 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 . 47 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 . 2 0.8 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-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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.3 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 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 1 1 0 2 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 0 165 0, 0.0 2,-0.8 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 33.9 15.2 -1.3 35.7 2 8 A D - 0 0 91 2,-0.0 2,-0.5 19,-0.0 21,-0.3 -0.917 360.0-156.3-101.8 96.6 14.0 -4.8 36.0 3 9 A W - 0 0 51 -2,-0.8 2,-0.3 19,-0.1 19,-0.2 -0.709 9.4-155.4 -71.5 123.0 11.3 -4.8 33.3 4 10 A D E -A 21 0A 68 17,-2.0 17,-1.6 -2,-0.5 2,-1.3 -0.798 22.3-110.4-101.7 153.0 9.0 -7.6 34.3 5 11 A L E +A 20 0A 85 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.600 35.6 177.6-100.0 82.0 6.9 -9.2 31.6 6 12 A V E - 0 0 89 -2,-1.3 2,-0.3 13,-0.8 -1,-0.2 0.835 62.0 -23.7 -49.6 -48.7 3.3 -8.2 32.1 7 13 A Q E -A 19 0A 102 12,-1.1 12,-3.7 0, 0.0 -1,-0.2 -0.940 61.8 -96.9-168.9 143.7 1.8 -10.0 29.0 8 14 A T E -A 18 0A 57 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.391 26.9-175.3 -53.3 136.0 2.4 -11.3 25.5 9 15 A L E - 0 0 70 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.402 63.7 -31.9-110.3 -13.0 1.4 -8.8 22.9 10 16 A G E -A 17 0A 28 7,-1.2 7,-1.0 2,-0.0 -1,-0.3 -0.989 51.9-120.9-179.5-175.8 2.1 -11.2 20.0 11 17 A E E +A 16 0A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.802 29.4 143.8-136.1-178.4 4.0 -14.1 18.3 12 18 A G - 0 0 46 3,-1.3 -2,-0.0 -2,-0.2 5,-0.0 -0.953 58.5 -60.3 177.3-158.7 6.1 -14.8 15.2 13 19 A A S S+ 0 0 96 -2,-0.3 -1,-0.2 1,-0.1 3,-0.0 0.968 126.2 44.9 -75.7 -79.1 9.1 -16.6 13.6 14 20 A Y S S- 0 0 99 20,-0.1 21,-1.3 -3,-0.1 2,-0.2 0.824 126.7 -92.6 -16.4 -62.9 11.9 -15.2 15.8 15 21 A G E - B 0 34A 24 19,-0.2 -3,-1.3 2,-0.0 2,-0.3 -0.643 62.0 -41.2 174.2-107.2 9.8 -15.7 18.9 16 22 A E E -AB 11 33A 61 17,-1.1 17,-2.5 -5,-0.2 2,-0.4 -0.919 34.2-124.9-143.6 170.3 7.4 -13.3 20.7 17 23 A V E -AB 10 32A 46 -7,-1.0 -8,-2.9 -2,-0.3 -7,-1.2 -0.992 27.6-163.9-117.8 127.8 6.8 -9.7 21.8 18 24 A Q E -AB 8 31A 37 13,-1.9 13,-2.0 -2,-0.4 2,-1.2 -0.856 26.4-122.0-109.8 145.8 6.0 -9.1 25.5 19 25 A L E -AB 7 30A 14 -12,-3.7 -12,-1.1 -2,-0.3 -13,-0.8 -0.792 36.4-168.5 -77.3 96.9 4.6 -6.0 27.1 20 26 A A E -AB 5 29A 1 9,-2.2 9,-1.4 -2,-1.2 2,-0.4 -0.860 6.1-176.1 -92.6 112.2 7.5 -5.4 29.6 21 27 A V E -AB 4 28A 21 -17,-1.6 -17,-2.0 -2,-0.7 7,-0.2 -0.840 24.0-125.6-102.9 144.1 6.5 -2.8 32.1 22 28 A N - 0 0 6 5,-1.1 -19,-0.1 -2,-0.4 7,-0.0 -0.367 11.2-153.2 -71.6 169.2 8.7 -1.4 34.8 23 29 A R S S+ 0 0 161 -21,-0.3 -1,-0.1 -2,-0.1 -20,-0.1 0.520 90.9 43.6-124.3 -21.9 7.4 -1.7 38.4 24 30 A V S S+ 0 0 114 -22,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.892 135.1 16.2 -82.3 -58.9 9.2 1.3 39.9 25 31 A T S S- 0 0 91 2,-0.1 -2,-0.0 0, 0.0 -4,-0.0 0.653 93.5-140.4 -90.6 -20.3 8.7 3.9 37.1 26 32 A E + 0 0 144 1,-0.2 2,-0.5 -5,-0.0 -3,-0.1 0.606 40.7 161.9 66.1 18.0 5.9 1.8 35.4 27 33 A E - 0 0 125 -6,-0.1 -5,-1.1 1,-0.1 -1,-0.2 -0.548 30.5-140.4 -73.4 116.8 7.2 2.7 31.9 28 34 A A E +B 21 0A 42 -2,-0.5 47,-0.3 -7,-0.2 2,-0.3 -0.435 26.5 169.3 -76.0 145.7 5.7 0.3 29.3 29 35 A V E -B 20 0A 7 -9,-1.4 -9,-2.2 45,-0.1 2,-0.4 -0.981 34.3-119.7-146.9 156.9 7.8 -1.1 26.4 30 36 A A E -BC 19 73A 14 43,-2.5 43,-2.8 -2,-0.3 2,-0.4 -0.815 30.9-160.2 -89.4 139.5 7.5 -3.8 23.8 31 37 A V E -BC 18 72A 2 -13,-2.0 -13,-1.9 -2,-0.4 2,-0.4 -0.981 7.6-144.8-125.8 133.3 10.2 -6.3 24.0 32 38 A K E -BC 17 71A 17 39,-2.0 39,-1.6 -2,-0.4 2,-0.5 -0.867 10.9-159.4-103.1 135.3 11.2 -8.6 21.2 33 39 A I E -BC 16 70A 24 -17,-2.5 -17,-1.1 -2,-0.4 2,-0.5 -0.957 12.1-179.2-123.1 114.6 12.3 -12.2 22.1 34 40 A V E -BC 15 69A 14 35,-1.8 35,-1.8 -2,-0.5 2,-0.6 -0.850 20.0-152.4-132.5 97.9 14.4 -14.0 19.6 35 41 A D E - C 0 68A 77 -21,-1.3 33,-0.2 -2,-0.5 -2,-0.0 -0.535 9.2-156.3 -67.5 113.4 15.8 -17.6 20.0 36 42 A M 0 0 121 31,-2.1 -1,-0.2 -2,-0.6 32,-0.1 0.302 360.0 360.0 -80.3 10.2 19.0 -17.7 17.9 37 43 A K 0 0 97 30,-0.2 -2,-0.1 0, 0.0 30,-0.0 -0.915 360.0 360.0-121.4 360.0 18.6 -21.5 17.6 38 ! 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 39 50 A E 0 0 172 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.8 22.5 -12.3 11.7 40 51 A N > + 0 0 74 2,-0.1 4,-1.4 99,-0.1 5,-0.0 -0.160 360.0 65.0 62.1 -66.7 19.8 -10.6 10.6 41 52 A I H > S+ 0 0 11 2,-0.2 4,-1.4 3,-0.1 5,-0.2 0.844 101.6 47.8 -78.8 -35.5 19.5 -9.8 14.3 42 53 A K H > S+ 0 0 150 2,-0.2 4,-1.1 1,-0.2 -2,-0.1 0.724 115.0 46.3 -78.9 -21.0 22.8 -7.9 14.2 43 54 A K H > S+ 0 0 85 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.906 109.8 52.5 -81.8 -45.8 21.6 -6.0 11.1 44 55 A E H X S+ 0 0 3 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.769 115.3 42.6 -60.5 -30.6 18.1 -5.2 12.5 45 56 A I H X S+ 0 0 12 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.862 112.0 52.5 -78.8 -45.7 19.8 -3.8 15.6 46 57 A C H < S+ 0 0 71 -4,-1.1 4,-0.4 2,-0.2 -2,-0.2 0.914 116.5 42.1 -58.0 -44.2 22.5 -2.0 13.7 47 58 A I H >X S+ 0 0 5 -4,-3.4 3,-2.0 1,-0.2 4,-0.9 0.935 110.0 54.9 -65.7 -48.1 19.6 -0.5 11.7 48 59 A N H 3< S+ 0 0 5 -4,-1.9 3,-0.4 1,-0.3 11,-0.3 0.827 102.6 61.6 -59.7 -26.5 17.4 0.2 14.7 49 60 A K T 3< S+ 0 0 121 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.696 100.4 51.6 -72.2 -22.1 20.3 2.1 16.1 50 61 A M T <4 S+ 0 0 88 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.2 0.708 90.6 102.4 -83.7 -18.2 20.3 4.7 13.2 51 62 A L < + 0 0 15 -4,-0.9 8,-0.4 -3,-0.4 2,-0.3 -0.502 30.6 153.4 -85.9 126.0 16.6 5.5 13.5 52 63 A N + 0 0 123 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.761 27.7 116.1-145.8 104.6 15.1 8.6 15.1 53 64 A H > - 0 0 36 3,-0.3 3,-1.5 -2,-0.3 53,-0.0 -0.974 64.0-120.7-166.1 146.5 11.8 9.8 13.8 54 65 A E T 3 S+ 0 0 134 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.635 114.8 46.7 -69.7 -16.5 8.2 10.2 15.2 55 66 A N T 3 S+ 0 0 12 79,-0.1 80,-2.5 50,-0.1 2,-0.4 0.112 101.1 78.4-110.7 18.0 6.8 7.8 12.5 56 67 A V B < S-e 135 0B 3 -3,-1.5 2,-0.4 78,-0.3 -3,-0.3 -0.971 94.2-102.0-123.5 139.8 9.4 5.2 13.1 57 68 A V - 0 0 9 78,-2.9 80,-0.1 -2,-0.4 -6,-0.1 -0.483 43.8-113.0 -68.9 121.1 9.2 2.8 16.0 58 69 A K - 0 0 108 -2,-0.4 16,-2.8 -4,-0.1 2,-0.5 -0.253 22.0-147.4 -62.7 130.1 11.6 3.9 18.7 59 70 A F E +D 73 0A 30 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.883 21.9 170.3 -98.4 130.4 14.6 1.6 19.5 60 71 A Y E - 0 0 116 12,-3.7 2,-0.3 -2,-0.5 13,-0.2 0.846 51.3 -46.0-107.9 -53.2 15.7 1.6 23.2 61 72 A G E -D 72 0A 19 11,-1.0 11,-2.3 2,-0.0 -1,-0.3 -0.982 38.5-120.3-167.3 177.2 18.3 -1.2 23.6 62 73 A H E -D 71 0A 79 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.922 12.8-166.7-126.9 159.4 19.5 -4.8 23.1 63 74 A R E -D 70 0A 92 7,-0.9 7,-0.8 -2,-0.3 -2,-0.0 -0.885 7.9-161.1-147.8 112.4 20.4 -7.5 25.7 64 75 A R + 0 0 189 -2,-0.3 4,-0.3 5,-0.2 -1,-0.1 0.946 20.2 175.3 -61.9 -54.7 22.2 -10.6 24.5 65 76 A E > - 0 0 118 2,-0.1 3,-1.4 1,-0.1 2,-1.1 0.890 59.2 -71.6 48.7 61.0 21.4 -12.8 27.5 66 77 A G T 3 S- 0 0 89 1,-0.2 -1,-0.1 0, 0.0 3,-0.1 -0.511 116.2 -2.8 72.5 -97.0 22.8 -16.2 26.5 67 78 A N T 3 S+ 0 0 94 -2,-1.1 -31,-2.1 1,-0.1 2,-0.5 0.479 121.0 71.0-108.3 -9.3 20.7 -17.7 23.7 68 79 A I E < -C 35 0A 38 -3,-1.4 -33,-0.2 -4,-0.3 2,-0.2 -0.947 66.3-147.0-126.8 115.6 17.9 -15.1 23.4 69 80 A Q E -C 34 0A 12 -35,-1.8 -35,-1.8 -2,-0.5 2,-0.4 -0.562 14.3-150.6 -82.4 147.8 18.3 -11.5 22.0 70 81 A Y E -CD 33 63A 52 -7,-0.8 -7,-0.9 -2,-0.2 2,-0.5 -0.973 10.0-169.5-127.3 120.7 16.2 -8.7 23.5 71 82 A L E -CD 32 62A 0 -39,-1.6 -39,-2.0 -2,-0.4 2,-0.7 -0.943 9.9-155.0-116.5 121.6 15.0 -5.6 21.6 72 83 A F E +CD 31 61A 20 -11,-2.3 -12,-3.7 -2,-0.5 -11,-1.0 -0.849 27.5 170.3-101.8 113.2 13.4 -2.9 23.6 73 84 A L E -CD 30 59A 25 -43,-2.8 -43,-2.5 -2,-0.7 -14,-0.2 -0.911 41.1 -84.5-130.2 147.8 11.1 -1.0 21.3 74 85 A E - 0 0 23 -16,-2.8 2,-0.4 -2,-0.3 -45,-0.1 -0.145 47.8-121.3 -52.9 142.7 8.5 1.7 21.7 75 86 A Y - 0 0 74 -47,-0.3 2,-0.6 -3,-0.0 -1,-0.1 -0.767 17.9-159.1 -94.3 138.3 5.2 0.3 22.6 76 87 A C > - 0 0 16 -2,-0.4 3,-1.2 52,-0.1 51,-0.2 -0.898 9.7-178.8-122.3 95.3 2.2 1.0 20.3 77 88 A S T 3 S+ 0 0 62 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.607 76.6 70.2 -77.9 -12.1 -1.0 0.5 22.4 78 89 A G T 3 S- 0 0 20 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.695 94.6-150.1 -73.4 -22.0 -3.1 1.4 19.3 79 90 A G E < -F 127 0B 30 -3,-1.2 48,-1.9 48,-0.9 2,-0.2 -0.480 38.9 -16.3 89.7-154.1 -2.1 -1.9 17.7 80 91 A E E > -F 126 0B 70 46,-0.2 3,-1.3 -2,-0.2 4,-0.5 -0.625 45.9-132.1 -93.6 147.6 -1.8 -2.6 14.0 81 92 A L G >> S+ 0 0 0 44,-3.3 3,-1.7 41,-1.0 4,-0.6 0.844 104.6 75.2 -59.0 -30.6 -3.2 -0.5 11.2 82 93 A F G >4 S+ 0 0 94 40,-0.8 3,-0.8 43,-0.3 -1,-0.2 0.825 91.9 51.8 -54.5 -33.1 -4.4 -3.9 9.9 83 94 A D G <4 S+ 0 0 117 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.628 100.6 61.3 -84.0 -12.0 -7.2 -3.9 12.6 84 95 A R G <4 S+ 0 0 89 -3,-1.7 2,-0.9 -4,-0.5 -1,-0.2 0.498 86.9 88.1 -82.6 -9.0 -8.4 -0.5 11.6 85 96 A I S << S- 0 0 23 -3,-0.8 6,-0.2 -4,-0.6 -1,-0.1 -0.795 70.8-154.4 -94.0 99.5 -9.2 -1.9 8.1 86 97 A E B >> -H 90 0C 112 4,-2.1 4,-2.6 -2,-0.9 3,-1.6 -0.581 33.8-102.7 -67.5 126.0 -12.7 -3.3 8.1 87 98 A P T 34 S+ 0 0 101 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.193 99.3 4.1 -55.0 140.6 -12.9 -6.0 5.4 88 99 A D T 34 S+ 0 0 102 105,-2.2 105,-0.2 1,-0.2 106,-0.1 0.303 135.1 53.0 71.7 -7.4 -14.5 -5.1 2.2 89 100 A I T <4 S- 0 0 89 -3,-1.6 2,-0.6 1,-0.1 104,-0.3 0.744 75.5-167.7-121.2 -54.8 -15.0 -1.6 3.4 90 101 A G B < -H 86 0C 3 -4,-2.6 -4,-2.1 102,-0.3 101,-0.2 -0.848 39.5 -65.2 98.7-119.5 -11.7 -0.1 4.6 91 102 A M - 0 0 24 99,-1.2 2,-0.1 -2,-0.6 -6,-0.1 -0.941 62.3 -59.2-157.3 169.9 -12.1 3.2 6.6 92 103 A P > - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.410 47.4-123.6 -58.7 137.6 -13.1 6.8 6.2 93 104 A E H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 109.2 57.0 -53.5 -43.5 -11.2 8.6 3.5 94 105 A P H > S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.931 108.0 47.0 -61.0 -42.4 -10.0 11.3 6.0 95 106 A D H > S+ 0 0 76 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.859 112.2 51.1 -59.5 -39.1 -8.4 8.7 8.4 96 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.952 107.7 51.4 -65.2 -49.8 -6.7 7.0 5.4 97 108 A Q H X S+ 0 0 19 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.896 109.8 51.0 -52.4 -43.7 -5.3 10.3 4.1 98 109 A R H X S+ 0 0 81 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.894 111.2 46.7 -63.5 -39.7 -3.9 11.0 7.6 99 110 A F H X S+ 0 0 6 -4,-1.9 4,-2.0 -3,-0.2 -2,-0.2 0.879 112.5 50.5 -72.1 -40.3 -2.3 7.5 7.8 100 111 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.922 107.4 54.6 -56.7 -46.2 -0.8 7.9 4.3 101 112 A H H X S+ 0 0 58 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.972 114.0 40.7 -51.2 -60.0 0.6 11.4 5.2 102 113 A Q H X S+ 0 0 28 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.807 111.5 56.0 -56.9 -38.5 2.4 9.9 8.2 103 114 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.923 109.4 47.3 -64.0 -38.0 3.4 6.8 6.3 104 115 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 -3,-0.3 5,-0.3 0.837 108.3 53.9 -72.4 -35.7 5.1 9.0 3.7 105 116 A A H X S+ 0 0 38 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.940 111.0 47.8 -62.4 -44.4 6.8 11.1 6.4 106 117 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.878 114.6 44.9 -58.5 -42.8 8.3 7.9 7.8 107 118 A V H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.935 110.6 52.5 -74.5 -46.6 9.4 6.5 4.4 108 119 A V H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.858 110.2 52.1 -48.5 -40.8 10.9 9.8 3.3 109 120 A Y H X S+ 0 0 48 -4,-1.4 4,-0.8 -5,-0.3 -2,-0.2 0.937 111.6 42.6 -69.7 -45.4 12.8 9.7 6.5 110 121 A L H ><>S+ 0 0 2 -4,-1.9 5,-2.8 2,-0.2 3,-0.7 0.904 115.2 49.3 -64.3 -46.6 14.3 6.2 6.0 111 122 A H H ><5S+ 0 0 8 -4,-3.0 3,-2.1 1,-0.2 -2,-0.2 0.896 104.6 61.3 -60.5 -41.0 15.1 6.8 2.3 112 123 A G H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.776 107.2 43.8 -51.9 -33.3 16.8 10.1 3.4 113 124 A I T <<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.082 123.9-104.3-103.1 23.3 19.2 8.1 5.5 114 125 A G T < 5S+ 0 0 2 -3,-2.1 30,-2.6 1,-0.2 31,-1.6 0.635 78.8 128.1 64.9 21.5 19.7 5.5 2.8 115 126 A I E < -I 143 0D 0 -5,-2.8 2,-0.4 28,-0.2 28,-0.2 -0.873 41.3-160.0-108.5 138.2 17.6 2.7 4.3 116 127 A T E -I 142 0D 1 26,-2.9 26,-1.5 -2,-0.4 60,-0.1 -0.955 9.0-156.3-113.1 138.3 14.7 0.7 2.7 117 128 A H - 0 0 4 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.917 17.1-168.5 -77.4 -46.1 12.1 -1.1 4.9 118 129 A R + 0 0 29 57,-0.1 41,-0.1 23,-0.1 -1,-0.1 0.478 69.8 62.9 73.5 -1.4 11.2 -3.7 2.1 119 130 A D + 0 0 22 39,-0.1 2,-0.4 18,-0.1 5,-0.1 -0.103 61.3 164.0-146.3 51.1 8.1 -5.0 3.9 120 131 A I + 0 0 3 42,-0.1 39,-0.1 3,-0.1 66,-0.1 -0.566 20.2 133.3 -74.1 122.8 5.6 -2.2 4.3 121 132 A K > - 0 0 39 -2,-0.4 3,-1.5 1,-0.1 -40,-0.2 -0.964 69.5 -94.4-164.7 160.7 2.2 -3.6 5.1 122 133 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -41,-1.0 0.895 122.0 59.6 -54.9 -37.1 -0.7 -2.9 7.6 123 134 A E G 3 S+ 0 0 61 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.738 106.5 46.7 -53.7 -34.2 0.7 -5.5 9.9 124 135 A N G < S+ 0 0 14 -3,-1.5 12,-2.2 -5,-0.1 2,-0.5 0.105 95.5 84.9-101.4 16.3 4.0 -3.5 10.2 125 136 A L E < - G 0 135B 0 -3,-1.6 -44,-3.3 10,-0.2 -43,-0.3 -0.970 64.4-171.0-118.9 108.6 2.3 -0.1 10.8 126 137 A L E -FG 80 134B 35 8,-2.7 8,-2.9 -2,-0.5 2,-0.4 -0.578 12.4-141.6-104.5 163.9 1.5 0.3 14.4 127 138 A L E -FG 79 133B 0 -48,-1.9 -49,-1.8 -51,-0.2 -48,-0.9 -0.983 8.6-145.1-130.5 130.5 -0.5 3.0 16.0 128 139 A D > - 0 0 15 4,-1.9 3,-2.0 -2,-0.4 -52,-0.1 -0.212 45.1 -82.8 -85.4-175.3 0.2 4.6 19.3 129 140 A E T 3 S+ 0 0 138 1,-0.3 -53,-0.1 2,-0.2 -1,-0.0 0.604 134.3 52.0 -69.8 -12.2 -2.5 5.8 21.8 130 141 A R T 3 S- 0 0 176 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.225 122.5-111.1 -96.8 14.2 -2.9 9.1 19.9 131 142 A D < + 0 0 53 -3,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.885 62.8 160.0 51.4 44.3 -3.3 6.8 16.7 132 143 A N - 0 0 25 -30,-0.0 -4,-1.9 -78,-0.0 2,-0.2 -0.840 42.2-117.9 -93.8 129.2 -0.0 8.0 15.3 133 144 A L E - G 0 127B 1 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.509 32.0-173.7 -67.5 134.7 1.4 5.7 12.7 134 145 A K E - G 0 126B 17 -8,-2.9 -8,-2.7 -2,-0.2 2,-0.4 -0.990 22.1-130.7-135.7 120.7 4.8 4.1 13.5 135 146 A I E -eG 56 125B 1 -80,-2.5 -78,-2.9 -2,-0.4 2,-0.3 -0.637 33.8-170.9 -76.1 134.8 6.8 2.0 11.1 136 147 A S + 0 0 19 -12,-2.2 -78,-0.0 -2,-0.4 -2,-0.0 -0.861 37.4 39.2-136.1 139.9 7.9 -1.2 12.7 137 148 A D - 0 0 35 -2,-0.3 3,-0.4 -80,-0.1 -1,-0.2 0.973 37.5-171.5 86.1 98.7 10.2 -4.2 12.1 138 149 A F > + 0 0 3 1,-0.2 3,-0.8 -94,-0.2 -91,-0.1 0.148 53.9 111.7-105.4 16.2 13.5 -3.7 10.4 139 150 A G T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -95,-0.1 -95,-0.1 0.659 88.0 35.4 -62.7 -24.0 14.4 -7.4 9.9 140 151 A L T 3 S+ 0 0 53 -3,-0.4 -1,-0.2 -23,-0.2 2,-0.1 0.405 97.4 116.1-107.6 2.1 14.1 -7.2 6.1 141 152 A A < + 0 0 2 -3,-0.8 2,-0.3 -22,-0.1 -24,-0.2 -0.416 38.4 169.8 -82.3 141.5 15.5 -3.7 6.0 142 153 A T E -I 116 0D 22 -26,-1.5 -26,-2.9 -2,-0.1 2,-0.5 -0.935 37.8 -93.0-144.8 165.0 18.8 -2.9 4.3 143 154 A V E +I 115 0D 47 -2,-0.3 -28,-0.2 -28,-0.2 3,-0.1 -0.713 34.6 167.5 -79.5 123.0 21.1 -0.0 3.1 144 155 A F + 0 0 0 -30,-2.6 7,-2.4 -2,-0.5 2,-0.4 0.404 69.9 47.1-111.4 -7.7 20.5 1.1 -0.5 145 156 A R E +J 150 0E 64 -31,-1.6 2,-0.3 5,-0.2 -1,-0.2 -0.982 60.6 160.7-137.6 130.6 22.6 4.3 -0.1 146 157 A Y E > S+J 149 0E 137 3,-1.7 3,-0.7 -2,-0.4 -32,-0.1 -0.980 72.2 1.7-151.6 133.9 26.0 4.7 1.4 147 158 A N T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.822 130.2 -62.6 53.4 34.7 28.6 7.5 1.0 148 159 A N T 3 S+ 0 0 146 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.803 113.6 121.5 62.5 38.3 26.0 9.1 -1.3 149 160 A R E < -J 146 0E 189 -3,-0.7 -3,-1.7 2,-0.0 2,-0.3 -0.980 58.3-134.0-139.1 113.9 26.2 6.1 -3.7 150 161 A E E -J 145 0E 72 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.534 12.9-161.0 -78.0 134.5 23.2 4.0 -4.5 151 162 A R - 0 0 138 -7,-2.4 24,-0.4 -2,-0.3 2,-0.1 -0.944 17.5-132.8-104.9 136.6 23.4 0.2 -4.5 152 163 A L - 0 0 74 -2,-0.4 2,-0.3 22,-0.1 22,-0.2 -0.407 22.2-124.3 -75.8 160.7 20.8 -1.8 -6.4 153 164 A L B +K 173 0F 14 20,-2.6 20,-1.7 -2,-0.1 -1,-0.1 -0.733 32.9 167.0-104.0 158.3 19.1 -4.7 -4.7 154 165 A N + 0 0 101 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.434 48.6 101.8-142.6 -21.8 18.8 -8.3 -5.9 155 166 A K S S- 0 0 101 1,-0.0 2,-0.5 2,-0.0 -2,-0.0 -0.581 70.1-137.5 -60.1 119.4 17.6 -10.3 -2.9 156 167 A M + 0 0 124 -2,-0.4 2,-0.3 -3,-0.0 12,-0.0 -0.768 43.6 142.5 -79.3 123.4 13.8 -10.8 -3.6 157 168 A C + 0 0 22 -2,-0.5 2,-0.3 -39,-0.1 10,-0.0 -0.996 10.5 67.1-164.1 173.9 11.9 -10.3 -0.4 158 169 A G S S- 0 0 31 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 -0.935 86.0 -44.4 118.8-153.5 8.8 -8.9 1.3 159 170 A T > - 0 0 31 -2,-0.3 3,-2.0 -39,-0.1 4,-0.5 -0.995 52.1-128.0-126.6 115.4 5.2 -10.1 1.2 160 171 A L G > S+ 0 0 82 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.703 101.8 54.7 -42.6 -47.4 3.8 -10.9 -2.4 161 172 A P G 3 S+ 0 0 31 0, 0.0 36,-0.3 0, 0.0 -1,-0.3 0.711 118.5 38.6 -63.0 -12.2 0.5 -8.8 -2.5 162 173 A Y G < S+ 0 0 9 -3,-2.0 -2,-0.2 36,-0.1 23,-0.2 0.389 92.5 108.7-109.3 -7.6 2.6 -5.7 -1.6 163 174 A V S < S- 0 0 10 -3,-0.9 -5,-0.1 -4,-0.5 16,-0.0 -0.497 71.1-116.1 -83.2 147.2 5.7 -6.5 -3.7 164 175 A A >> - 0 0 0 -2,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.489 21.8-117.6 -81.0 152.7 6.5 -4.4 -6.8 165 176 A P H >> S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-1.1 0.853 107.5 65.2 -57.5 -36.2 6.5 -6.1 -10.3 166 177 A E H 3> S+ 0 0 5 71,-0.3 4,-1.4 1,-0.3 72,-0.0 0.755 95.2 58.4 -61.8 -25.0 10.2 -5.3 -11.0 167 178 A L H <4 S+ 0 0 10 -3,-1.1 -1,-0.3 1,-0.2 6,-0.0 0.753 106.4 46.0 -86.3 -16.4 11.4 -7.5 -8.1 168 179 A L H << S+ 0 0 54 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.672 125.4 33.3 -79.8 -22.5 9.7 -10.6 -9.5 169 180 A K H < S+ 0 0 93 -4,-1.1 2,-0.4 1,-0.1 -2,-0.2 0.464 104.7 73.2-115.4 -4.6 11.1 -9.9 -13.0 170 181 A R < - 0 0 110 -4,-1.4 3,-0.1 1,-0.2 -1,-0.1 -0.955 60.3-145.0-130.4 137.3 14.5 -8.2 -12.7 171 182 A R S S+ 0 0 215 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.956 95.8 8.0 -57.1 -52.5 17.9 -9.4 -11.7 172 183 A E S S+ 0 0 75 -3,-0.1 2,-0.3 -20,-0.0 -1,-0.2 -0.958 72.8 169.5-136.4 151.6 18.5 -6.0 -10.0 173 184 A F B -K 153 0F 2 -20,-1.7 -20,-2.6 -2,-0.3 2,-0.2 -0.979 37.5 -87.1-158.9 154.9 16.3 -3.1 -9.2 174 185 A H > - 0 0 86 -2,-0.3 4,-0.7 -22,-0.2 -22,-0.1 -0.463 27.5-138.4 -75.4 144.1 16.2 0.2 -7.2 175 186 A A H >> S+ 0 0 0 -24,-0.4 4,-1.2 1,-0.2 3,-0.6 0.897 90.9 61.2 -69.2 -38.9 15.1 0.2 -3.6 176 187 A E H 3> S+ 0 0 60 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.878 99.3 49.7 -66.5 -51.0 12.9 3.3 -3.5 177 188 A P H 3> S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.778 104.9 62.1 -49.7 -33.2 10.2 2.5 -6.1 178 189 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.8 0.914 109.9 52.8 -62.0 -50.4 4.5 0.6 -4.6 182 193 A S H 3X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.913 105.2 56.6 -57.6 -37.7 4.0 -1.2 -1.2 183 194 A C H 3X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.796 107.9 48.9 -61.8 -30.1 2.7 2.1 0.2 184 195 A G H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 3,-0.6 0.944 107.8 50.7 -58.3 -51.6 -5.7 0.6 -1.5 189 200 A A H >X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 3,-0.7 0.918 110.7 51.7 -52.1 -44.5 -6.3 -1.7 1.4 190 201 A M H 3< S+ 0 0 1 -4,-2.2 -99,-1.2 1,-0.2 -1,-0.2 0.728 114.2 40.1 -68.7 -29.0 -7.3 1.3 3.5 191 202 A L H << S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.551 130.7 24.3 -98.4 -4.8 -9.8 2.7 1.1 192 203 A A H << S- 0 0 0 -4,-1.2 -102,-0.3 -3,-0.7 -2,-0.2 0.458 91.0-124.6-137.2 -17.0 -11.4 -0.6 -0.1 193 204 A G S < S+ 0 0 12 -4,-2.7 -105,-2.2 -5,-0.3 2,-0.3 0.742 81.6 87.6 65.8 22.5 -10.9 -3.2 2.7 194 205 A E S S- 0 0 61 -6,-0.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.999 74.8-124.2-154.8 152.2 -9.2 -5.5 0.1 195 206 A L - 0 0 69 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.742 23.8-143.5 -88.8 136.3 -5.9 -6.4 -1.6 196 207 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.911 72.8 4.7 -74.1 -41.7 -6.2 -6.1 -5.4 197 208 A W - 0 0 5 -36,-0.3 7,-0.0 9,-0.1 8,-0.0 -0.982 57.1-127.8-139.9 157.0 -4.0 -9.1 -6.4 198 209 A D S S- 0 0 120 -2,-0.3 -36,-0.1 1,-0.3 -1,-0.1 0.804 99.2 -8.9 -65.8 -33.6 -2.0 -12.0 -4.9 199 210 A Q - 0 0 66 -38,-0.1 2,-1.9 2,-0.1 -1,-0.3 -0.940 66.9-112.2-164.9 147.8 0.9 -10.7 -6.9 200 211 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.448 69.5 126.4 -78.1 67.6 1.9 -8.2 -9.6 201 212 A S S > S- 0 0 17 -2,-1.9 3,-1.9 1,-0.1 6,-0.2 -0.987 73.5-116.0-128.3 141.4 2.8 -10.8 -12.4 202 213 A D T 3 S+ 0 0 104 -2,-0.4 6,-0.1 1,-0.3 -1,-0.1 0.665 114.1 64.7 -45.4 -21.7 1.4 -11.1 -16.0 203 214 A S T 3 S+ 0 0 115 1,-0.0 2,-0.6 4,-0.0 -1,-0.3 0.162 82.4 91.8 -88.6 20.4 -0.1 -14.5 -14.9 204 215 A C X> - 0 0 12 -3,-1.9 4,-2.0 1,-0.2 3,-0.8 -0.930 66.2-152.1-122.0 109.9 -2.5 -12.8 -12.3 205 216 A Q H 3> S+ 0 0 115 -2,-0.6 4,-2.6 1,-0.3 3,-0.3 0.865 93.7 50.3 -49.7 -50.7 -5.9 -12.0 -13.7 206 217 A E H 3> S+ 0 0 93 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.825 110.5 49.6 -59.3 -39.9 -6.6 -9.0 -11.4 207 218 A Y H <> S+ 0 0 0 -3,-0.8 4,-1.9 -8,-0.3 -1,-0.3 0.859 111.2 48.9 -66.9 -36.6 -3.2 -7.4 -12.1 208 219 A S H X S+ 0 0 20 -4,-2.0 4,-1.7 -3,-0.3 -2,-0.2 0.894 109.3 54.4 -72.4 -34.9 -3.8 -7.8 -15.9 209 220 A D H <>S+ 0 0 22 -4,-2.6 5,-2.1 -5,-0.2 -1,-0.2 0.803 107.2 50.3 -60.6 -35.6 -7.2 -6.2 -15.3 210 221 A W H ><5S+ 0 0 10 -4,-1.3 3,-1.6 3,-0.2 -2,-0.2 0.903 108.5 49.9 -71.7 -41.8 -5.6 -3.3 -13.6 211 222 A K H 3<5S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.843 105.6 58.3 -65.7 -35.0 -3.0 -2.6 -16.4 212 223 A E T 3<5S- 0 0 114 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.134 116.3-120.3 -76.0 17.7 -5.9 -2.7 -18.8 213 224 A K T < 5 + 0 0 156 -3,-1.6 2,-1.8 1,-0.2 -3,-0.2 0.766 56.8 157.3 42.8 37.4 -7.5 0.2 -16.7 214 225 A K > < + 0 0 51 -5,-2.1 3,-1.4 1,-0.2 -1,-0.2 -0.419 3.8 156.3 -83.3 63.6 -10.6 -1.8 -15.9 215 226 A T T 3 + 0 0 39 -2,-1.8 -1,-0.2 1,-0.3 -5,-0.1 0.147 52.5 84.2 -89.4 24.7 -11.4 0.2 -12.8 216 227 A Y T 3 S+ 0 0 145 2,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.329 82.2 80.6 -97.0 -1.7 -15.1 -0.7 -12.9 217 228 A L S <> S- 0 0 59 -3,-1.4 4,-1.4 -8,-0.1 3,-0.5 -0.724 92.7 -66.2 -91.6 155.1 -14.1 -3.8 -11.0 218 229 A N T 4 S+ 0 0 75 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.0 -0.494 112.8 34.5 -58.6 148.6 -13.3 -4.1 -7.3 219 230 A P T >4 S+ 0 0 5 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.989 122.3 47.5 -73.4 -17.8 -11.2 -2.9 -5.6 220 231 A W G >4 S+ 0 0 7 -3,-0.5 3,-2.3 1,-0.3 -2,-0.2 0.780 98.9 63.7 -65.7 -32.3 -11.2 0.2 -7.6 221 232 A K G 3< S+ 0 0 136 -4,-1.4 -1,-0.3 1,-0.3 -3,-0.1 0.763 99.0 58.6 -63.3 -23.7 -14.9 1.1 -7.9 222 233 A K G < S+ 0 0 64 -3,-1.4 2,-0.5 -5,-0.1 -1,-0.3 0.442 94.4 85.7 -75.4 -5.8 -15.0 1.5 -4.1 223 234 A I S < S- 0 0 12 -3,-2.3 -31,-0.1 -4,-0.1 -35,-0.0 -0.869 82.6-119.9-110.6 131.4 -12.4 4.2 -4.4 224 235 A D > - 0 0 77 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.282 29.2-110.8 -69.0 156.6 -13.1 7.8 -5.1 225 236 A S H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.835 110.8 57.8 -63.9 -37.8 -11.7 9.3 -8.3 226 237 A A H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.963 113.6 36.1 -59.3 -59.4 -9.2 11.7 -6.5 227 238 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.779 113.9 60.4 -59.8 -28.8 -7.3 8.9 -4.5 228 239 A L H X S+ 0 0 19 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.823 100.0 53.9 -70.1 -33.2 -7.7 6.6 -7.5 229 240 A A H X S+ 0 0 43 -4,-1.9 4,-0.8 -3,-0.5 -1,-0.2 0.772 108.7 50.5 -72.2 -27.8 -5.7 9.0 -9.8 230 241 A L H >X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 3,-1.0 0.932 108.1 51.1 -71.7 -49.1 -2.9 8.9 -7.2 231 242 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.795 104.2 59.8 -55.0 -30.0 -3.0 5.1 -7.2 232 243 A H H 3< S+ 0 0 76 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.825 108.4 44.2 -66.0 -32.8 -2.8 5.3 -11.0 233 244 A K H << S+ 0 0 81 -3,-1.0 10,-2.0 -4,-0.8 3,-0.4 0.756 117.9 43.8 -80.5 -32.6 0.6 7.1 -10.7 234 245 A I H < S+ 0 0 0 -4,-1.9 2,-1.1 1,-0.2 -2,-0.2 0.879 106.0 56.8 -79.2 -49.1 1.9 4.8 -7.9 235 246 A L S < S+ 0 0 6 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 -0.208 73.4 141.9 -86.8 50.6 1.0 1.4 -9.3 236 247 A V - 0 0 38 -2,-1.1 6,-0.2 -3,-0.4 5,-0.1 -0.809 49.9-141.6 -87.3 124.9 2.9 2.0 -12.6 237 248 A E S S+ 0 0 68 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.862 85.5 72.4 -60.7 -43.0 4.5 -1.2 -13.7 238 249 A N S >> S- 0 0 75 1,-0.2 4,-1.2 -73,-0.1 3,-1.2 -0.675 74.5-150.9 -79.5 114.9 7.7 0.5 -14.9 239 250 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.707 95.0 55.3 -65.4 -21.5 9.6 1.6 -11.9 240 251 A S T 34 S+ 0 0 106 1,-0.2 -3,-0.1 -63,-0.0 -2,-0.0 0.747 111.0 43.5 -77.1 -31.3 11.2 4.5 -13.9 241 252 A A T <4 S+ 0 0 65 -3,-1.2 -1,-0.2 -5,-0.1 -4,-0.1 0.607 93.8 110.4 -82.1 -15.3 7.8 5.8 -14.9 242 253 A R S < S- 0 0 10 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.243 79.2 -97.4 -66.7 150.7 6.4 5.3 -11.3 243 254 A I - 0 0 19 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.316 35.8-136.7 -67.5 146.1 5.6 8.4 -9.2 244 255 A T > - 0 0 74 1,-0.1 4,-2.1 -64,-0.0 3,-0.2 -0.601 23.1-108.8 -98.5 164.8 8.3 9.6 -6.7 245 256 A I H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.896 117.6 57.4 -58.9 -42.9 7.6 10.7 -3.1 246 257 A P H 4 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.929 112.9 42.9 -53.0 -41.9 8.3 14.4 -3.8 247 258 A D H >> S+ 0 0 72 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.813 105.4 60.9 -74.3 -31.5 5.6 14.1 -6.5 248 259 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.3 6,-0.2 0.920 101.9 56.6 -56.8 -38.6 3.2 12.2 -4.3 249 260 A K T 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.537 105.9 49.1 -71.5 -12.1 3.4 15.2 -2.0 250 261 A K T <4 S+ 0 0 145 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.480 86.4 118.8 -96.9 -9.2 2.2 17.5 -4.9 251 262 A D 4 S+ 0 0 0 -27,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.914 110.7 58.2 -55.8 -46.9 -5.9 14.0 -3.2 254 265 A Y T 34 S+ 0 0 28 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.846 114.4 38.0 -50.0 -42.9 -2.8 14.1 -1.0 255 266 A N T 3< S+ 0 0 93 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.193 89.8 119.5 -95.2 11.3 -3.3 17.9 -0.6 256 267 A K < - 0 0 73 -3,-1.8 2,-0.2 -4,-0.1 -3,-0.0 -0.678 67.8-122.3 -77.0 123.8 -7.2 17.7 -0.4 257 268 A P 0 0 127 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.546 360.0 360.0 -66.7 131.7 -8.6 19.0 2.9 258 269 A L 0 0 97 -2,-0.2 -163,-0.1 -164,-0.1 -165,-0.0 0.404 360.0 360.0-145.8 360.0 -10.7 16.3 4.7