==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-FEB-04 1SG9 . COMPND 2 MOLECULE: HEMK PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.AGARWAL,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH . 828 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 38 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 6 0 2 3 1 0 0 1 6 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 6 6 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 . 1 0 0 6 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 8 A S >> 0 0 97 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 53.8 55.3 17.0 57.4 2 9 A G T 34 + 0 0 53 1,-0.3 3,-0.1 2,-0.2 0, 0.0 0.755 360.0 26.2 -26.7 -68.0 57.7 18.9 59.7 3 10 A A T 3> S+ 0 0 41 1,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.679 110.4 71.8 -79.3 -20.4 56.0 22.3 60.0 4 11 A E H <> S+ 0 0 87 -3,-0.8 4,-1.3 2,-0.1 -2,-0.2 0.938 101.7 47.8 -61.5 -46.5 52.5 20.9 59.2 5 12 A R H < S+ 0 0 149 -4,-2.0 2,-2.5 2,-0.2 3,-0.1 -0.109 103.7 49.5 -73.5-168.4 52.6 19.4 62.7 6 13 A K H > S+ 0 0 88 1,-0.3 4,-2.9 44,-0.0 5,-0.2 -0.449 112.0 49.7 75.3 -74.3 53.7 21.9 65.3 7 14 A I H X S+ 0 0 6 -2,-2.5 4,-2.8 -4,-1.1 -1,-0.3 0.932 116.1 41.6 -64.4 -43.6 51.2 24.6 64.1 8 15 A W H X S+ 0 0 93 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.799 114.9 51.2 -74.3 -25.3 48.3 22.1 64.2 9 16 A S H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 112.4 47.7 -73.1 -40.6 49.5 20.6 67.5 10 17 A L H X S+ 0 0 9 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.948 108.0 55.0 -62.2 -49.7 49.6 24.1 68.8 11 18 A I H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 110.7 46.4 -49.4 -46.7 46.2 24.9 67.4 12 19 A R H X S+ 0 0 179 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.915 110.0 50.9 -66.9 -45.8 44.8 21.9 69.3 13 20 A D H X S+ 0 0 84 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.949 114.1 45.7 -56.9 -48.5 46.5 22.6 72.6 14 21 A C H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.902 107.8 56.8 -61.9 -42.5 45.2 26.2 72.5 15 22 A S H >X S+ 0 0 13 -4,-2.3 4,-1.1 -5,-0.3 3,-1.0 0.937 106.6 50.6 -54.7 -45.6 41.7 25.0 71.5 16 23 A G H 3< S+ 0 0 30 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.877 104.8 56.8 -59.8 -38.9 41.7 22.9 74.7 17 24 A K H 3< S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.722 109.7 47.1 -65.6 -20.7 42.7 25.9 76.8 18 25 A L H XX S+ 0 0 0 -4,-1.2 3,-1.7 -3,-1.0 4,-0.9 0.634 81.5 103.2 -98.3 -16.5 39.7 27.8 75.6 19 26 A E T 3< S+ 0 0 125 -4,-1.1 4,-0.1 -3,-0.5 5,-0.0 -0.375 77.1 45.9 -63.8 149.7 36.9 25.3 76.0 20 27 A G T 34 S+ 0 0 87 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.307 115.0 55.1 95.8 -9.7 34.9 26.1 79.0 21 28 A V T <4 S+ 0 0 56 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.512 121.0 6.2-124.2 -22.6 35.0 29.7 77.7 22 29 A T >< - 0 0 24 -4,-0.9 3,-0.9 1,-0.1 -1,-0.4 -0.934 50.3-141.9-166.2 137.8 33.5 29.1 74.2 23 30 A E T 3 S+ 0 0 202 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.751 105.6 58.7 -71.9 -23.6 32.0 26.3 72.2 24 31 A T T 3> + 0 0 73 1,-0.2 4,-2.4 2,-0.1 3,-0.3 -0.120 64.4 138.3 -97.5 36.2 33.8 27.6 69.1 25 32 A S H <> S+ 0 0 9 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.829 70.0 52.8 -49.7 -40.1 37.3 27.2 70.6 26 33 A V H > S+ 0 0 77 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.940 110.7 46.7 -64.4 -45.7 38.8 25.9 67.4 27 34 A L H > S+ 0 0 87 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.944 111.8 50.6 -59.7 -50.9 37.5 28.8 65.3 28 35 A E H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 110.1 49.8 -55.8 -45.6 38.7 31.4 67.8 29 36 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 -1,-0.2 0.919 108.6 52.4 -61.4 -43.6 42.2 29.8 67.9 30 37 A L H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.902 112.3 47.2 -58.3 -39.7 42.4 29.8 64.1 31 38 A L H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.905 112.6 47.3 -67.9 -44.7 41.4 33.5 64.2 32 39 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 113.5 49.8 -64.7 -42.7 43.9 34.4 66.9 33 40 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.909 111.3 45.7 -64.0 -44.9 46.7 32.5 65.1 34 41 A S H X>S+ 0 0 7 -4,-2.3 5,-2.4 -5,-0.2 4,-0.9 0.874 111.2 55.4 -68.1 -32.5 46.1 34.0 61.6 35 42 A R H <5S+ 0 0 135 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.3 44.3 -64.4 -41.0 46.0 37.5 63.3 36 43 A V H <5S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.2 48.3 -76.8 -28.0 49.4 37.0 64.9 37 44 A L H <5S- 0 0 22 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.588 109.8-124.0 -86.3 -10.1 51.0 35.6 61.8 38 45 A G T <5 + 0 0 69 -4,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.899 69.2 118.8 70.1 41.0 49.6 38.4 59.8 39 46 A I < - 0 0 46 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.905 67.8-101.3-133.8 160.7 47.9 36.2 57.2 40 47 A R > - 0 0 155 -2,-0.3 3,-1.3 -3,-0.1 4,-0.2 -0.453 40.7-106.1 -78.4 156.5 44.3 35.7 56.2 41 48 A K G > S+ 0 0 99 1,-0.3 3,-2.6 2,-0.2 4,-0.2 0.908 116.8 62.3 -46.9 -51.3 42.4 32.6 57.5 42 49 A E G > S+ 0 0 109 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.771 94.2 62.2 -46.1 -37.1 42.6 30.8 54.2 43 50 A D G X S+ 0 0 33 -3,-1.3 3,-0.9 1,-0.3 -1,-0.3 0.418 75.8 89.9 -75.1 1.3 46.4 30.8 54.3 44 51 A L G < S+ 0 0 10 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.730 86.3 55.0 -68.5 -19.3 46.4 28.6 57.4 45 52 A F G < S+ 0 0 155 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.592 78.0 123.9 -88.9 -12.3 46.4 25.7 55.1 46 53 A L X - 0 0 97 -3,-0.9 3,-0.9 -4,-0.1 2,-0.1 -0.171 69.1-111.1 -51.1 138.3 49.6 26.7 53.1 47 54 A K T 3 S+ 0 0 172 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.453 100.3 17.2 -71.6 145.8 52.2 24.0 53.1 48 55 A D T 3 S+ 0 0 149 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.843 81.7 164.9 60.1 36.2 55.3 24.9 55.1 49 56 A L < - 0 0 28 -3,-0.9 -1,-0.2 -5,-0.1 2,-0.2 -0.760 25.1-149.8 -83.7 121.3 53.5 27.7 57.0 50 57 A G - 0 0 43 -2,-0.6 2,-0.4 -3,-0.1 -44,-0.0 -0.620 24.0-160.7-104.6 159.2 55.7 28.6 60.0 51 58 A V - 0 0 16 -2,-0.2 -14,-0.0 -48,-0.0 -2,-0.0 -0.975 19.1-148.3-130.7 112.9 55.4 29.8 63.5 52 59 A S > - 0 0 47 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.244 33.2-103.2 -73.4 170.2 58.6 31.3 65.1 53 60 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.795 123.9 51.9 -65.6 -25.7 59.1 30.9 68.8 54 61 A T H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 110.1 45.3 -73.7 -51.1 58.1 34.6 69.2 55 62 A E H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 112.9 54.0 -60.5 -33.4 54.8 34.2 67.3 56 63 A E H X S+ 0 0 56 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 109.3 45.7 -67.2 -46.3 54.2 31.0 69.2 57 64 A K H X S+ 0 0 46 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.879 111.9 52.6 -64.5 -39.0 54.6 32.8 72.6 58 65 A R H X S+ 0 0 46 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.920 109.2 49.5 -62.6 -43.9 52.4 35.7 71.4 59 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.913 110.8 49.6 -61.9 -43.4 49.7 33.2 70.4 60 67 A L H X S+ 0 0 67 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.877 111.1 50.6 -64.7 -35.0 49.9 31.5 73.8 61 68 A E H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.927 111.3 46.1 -69.3 -44.2 49.6 34.9 75.4 62 69 A L H X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.875 113.4 50.5 -66.2 -34.9 46.6 36.0 73.4 63 70 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.910 109.4 50.2 -68.2 -40.3 45.0 32.5 74.1 64 71 A E H < S+ 0 0 58 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.866 111.9 50.0 -63.7 -35.3 45.7 32.9 77.9 65 72 A K H ><>S+ 0 0 21 -4,-1.9 3,-1.8 1,-0.2 5,-0.9 0.957 109.5 48.3 -67.3 -52.0 44.1 36.4 77.6 66 73 A R H ><5S+ 0 0 11 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.829 102.9 66.0 -57.9 -30.7 41.0 35.1 75.9 67 74 A A T 3<5S+ 0 0 40 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.702 91.3 62.2 -66.1 -19.7 40.8 32.4 78.5 68 75 A S T < 5S- 0 0 18 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.514 125.7-100.1 -82.0 -6.5 40.1 35.1 81.2 69 76 A G T < 5S+ 0 0 2 -3,-1.8 137,-0.2 1,-0.3 -3,-0.2 0.185 71.7 151.2 107.0 -17.1 36.9 35.9 79.4 70 77 A Y < - 0 0 12 -5,-0.9 -1,-0.3 1,-0.1 133,-0.1 -0.197 60.1 -90.2 -47.6 135.8 38.2 39.0 77.6 71 78 A P >> - 0 0 8 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.240 23.7-139.7 -57.2 131.8 36.3 39.4 74.3 72 79 A L H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.933 103.7 52.3 -54.5 -46.5 37.7 37.6 71.3 73 80 A H H 3> S+ 0 0 43 1,-0.3 4,-1.5 2,-0.2 5,-0.4 0.662 101.9 57.1 -68.9 -17.5 36.8 40.6 69.1 74 81 A Y H <4 S+ 0 0 14 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.852 109.8 47.9 -77.0 -33.8 38.6 43.1 71.3 75 82 A I H < S+ 0 0 11 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.1 0.919 116.2 42.7 -68.3 -43.3 41.6 40.9 70.7 76 83 A L H < S- 0 0 19 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.759 100.4-136.5 -74.7 -25.6 41.0 40.8 67.0 77 84 A G S < S+ 0 0 19 -4,-1.5 11,-1.8 -5,-0.2 2,-0.3 0.492 74.6 59.0 82.1 2.3 40.1 44.5 66.8 78 85 A E E -A 87 0A 77 -5,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.996 58.7-154.5-159.5 161.5 37.2 43.8 64.5 79 86 A K E -A 86 0A 48 7,-2.1 7,-2.7 -2,-0.3 2,-0.4 -0.998 25.0-126.7-140.7 133.0 33.9 42.0 64.1 80 87 A E E +A 85 0A 134 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.700 34.8 171.4 -82.6 132.7 32.4 40.9 60.8 81 88 A F E > -A 84 0A 1 3,-2.6 3,-2.1 -2,-0.4 -2,-0.1 -0.960 68.3 -9.1-146.3 123.1 28.8 42.2 60.5 82 89 A M T 3 S- 0 0 29 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.788 129.1 -59.4 59.1 27.7 26.6 42.0 57.3 83 90 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.546 116.3 114.4 79.3 5.0 29.8 40.9 55.6 84 91 A L E < S-A 81 0A 20 -3,-2.1 -3,-2.6 43,-0.0 2,-0.9 -0.840 70.2-119.7-110.6 149.1 31.6 44.2 56.5 85 92 A S E -A 80 0A 30 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.751 29.7-166.3 -89.9 104.9 34.6 44.5 58.8 86 93 A F E -A 79 0A 0 -7,-2.7 -7,-2.1 -2,-0.9 2,-0.2 -0.785 18.1-130.6 -93.9 125.7 33.6 46.8 61.7 87 94 A L E +A 78 0A 50 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.3 -0.537 34.9 173.9 -71.0 138.7 36.5 48.1 63.9 88 95 A V + 0 0 4 -11,-1.8 2,-0.3 -15,-0.2 6,-0.1 -0.961 7.1 159.2-142.5 157.2 35.8 47.5 67.6 89 96 A E > - 0 0 49 -2,-0.3 3,-1.6 3,-0.1 -15,-0.1 -0.951 52.8 -46.5-165.0 174.1 37.8 48.0 70.8 90 97 A E T 3 S+ 0 0 26 -2,-0.3 117,-0.1 1,-0.3 3,-0.1 -0.228 123.4 36.8 -53.2 135.9 37.3 48.5 74.5 91 98 A G T 3 S+ 0 0 29 115,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.390 102.4 91.8 98.9 -2.6 34.6 51.0 75.2 92 99 A V S < S- 0 0 1 -3,-1.6 -1,-0.2 56,-0.1 2,-0.2 -0.988 77.5-119.6-130.1 134.5 32.5 49.8 72.3 93 100 A F - 0 0 0 -2,-0.4 32,-0.4 114,-0.1 -4,-0.1 -0.479 31.2-124.5 -69.4 137.6 29.7 47.2 72.2 94 101 A V - 0 0 7 -2,-0.2 -1,-0.1 732,-0.1 -6,-0.1 -0.759 31.6-105.9 -88.4 124.9 30.6 44.3 69.8 95 102 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 -0.106 36.1-140.6 -48.9 141.4 27.8 43.7 67.1 96 103 A R >> - 0 0 33 1,-0.1 3,-0.9 730,-0.1 4,-0.6 -0.792 16.6-118.7-109.9 151.4 25.7 40.6 67.7 97 104 A P H >> S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.846 111.4 58.0 -54.9 -37.8 24.3 38.1 65.2 98 105 A E H >> S+ 0 0 55 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.831 97.6 61.1 -64.4 -31.2 20.7 38.8 66.0 99 106 A T H <> S+ 0 0 0 -3,-0.9 4,-1.6 1,-0.2 -1,-0.3 0.734 92.9 65.7 -69.1 -20.0 21.2 42.5 65.1 100 107 A E H S+ 0 0 10 -4,-2.3 5,-1.3 2,-0.2 4,-0.9 0.919 112.3 45.6 -65.6 -42.0 13.6 50.6 53.0 111 118 A R H ><5S+ 0 0 159 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.962 113.4 50.9 -63.0 -51.6 13.2 49.0 49.6 112 119 A K H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.836 121.5 28.5 -54.9 -43.9 9.5 48.5 50.1 113 120 A Y H 3<5S- 0 0 71 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.331 100.8-120.6-104.9 7.1 8.6 52.1 51.1 114 121 A G T <<5 - 0 0 40 -4,-0.9 2,-0.2 -3,-0.7 -3,-0.2 0.934 44.4-173.2 53.1 47.8 11.3 54.0 49.2 115 122 A I < + 0 0 8 -5,-1.3 22,-0.2 -6,-0.2 -1,-0.2 -0.503 18.0 179.6 -74.8 141.1 12.5 55.4 52.5 116 123 A K + 0 0 139 1,-0.2 23,-2.6 -2,-0.2 2,-0.5 0.667 61.7 50.8-116.2 -25.4 15.3 58.1 52.3 117 124 A T E +b 139 0B 17 21,-0.2 68,-1.4 66,-0.1 69,-1.3 -0.973 61.3 175.6-124.0 124.8 16.1 59.1 55.8 118 125 A V E -bc 140 186B 1 21,-2.7 23,-2.4 -2,-0.5 2,-0.4 -0.896 16.3-148.8-126.7 153.3 16.8 56.8 58.7 119 126 A A E -bc 141 187B 0 67,-2.7 69,-3.3 -2,-0.3 2,-0.4 -0.940 3.6-165.5-121.6 146.3 17.9 57.2 62.3 120 127 A D E > -bc 142 188B 0 21,-2.2 23,-1.9 -2,-0.4 3,-0.5 -0.886 10.1-163.3-132.6 98.1 20.1 54.8 64.4 121 128 A I E 3 S+bc 143 189B 3 67,-2.1 69,-0.6 -2,-0.4 23,-0.2 -0.711 77.7 16.8 -86.0 130.6 20.0 55.5 68.1 122 129 A G T 3 S+ 0 0 1 21,-1.7 68,-0.3 -2,-0.4 -1,-0.2 0.952 76.1 178.8 73.2 52.3 22.8 54.0 70.1 123 130 A T X + 0 0 0 20,-2.2 3,-3.1 -3,-0.5 4,-0.4 0.718 5.6 175.6 -61.6 -24.3 24.9 53.4 67.0 124 131 A G T 3 S- 0 0 0 1,-0.3 29,-0.4 19,-0.3 -1,-0.2 -0.352 76.2 -2.1 55.9-118.0 27.8 51.9 69.0 125 132 A S T 3 S- 0 0 0 -32,-0.4 -1,-0.3 -2,-0.2 31,-0.2 0.628 107.8-103.3 -77.4 -15.6 30.4 50.8 66.4 126 133 A G S <>>S+ 0 0 0 -3,-3.1 4,-3.2 -4,-0.1 5,-0.6 0.413 75.3 143.3 104.9 3.9 28.0 51.9 63.6 127 134 A A H >5S+ 0 0 0 -4,-0.4 4,-1.3 2,-0.2 5,-0.2 0.859 74.8 31.6 -41.5 -58.3 26.8 48.3 62.8 128 135 A I H >5S+ 0 0 0 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.993 125.6 41.3 -68.5 -61.5 23.2 49.1 62.0 129 136 A G H >5S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 116.6 46.5 -53.2 -51.9 23.6 52.7 60.7 130 137 A V H X5S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.885 113.0 49.9 -62.3 -39.9 26.7 52.1 58.6 131 138 A S H X - 0 0 19 1,-0.2 4,-2.2 25,-0.1 3,-0.4 -0.710 64.1-158.1 -89.1 119.6 29.4 57.5 74.3 147 154 A S H > S+ 0 0 63 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.907 97.7 53.3 -55.9 -44.0 32.2 59.7 73.0 148 155 A K H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.809 106.5 51.6 -64.3 -32.5 34.2 56.5 72.1 149 156 A A H > S+ 0 0 1 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.914 108.3 51.9 -71.8 -41.3 31.3 55.0 70.2 150 157 A V H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 111.0 46.2 -60.1 -47.5 30.9 58.2 68.1 151 158 A E H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.904 116.3 45.7 -65.4 -38.0 34.5 58.3 67.2 152 159 A I H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.901 110.5 52.3 -71.5 -40.2 34.6 54.6 66.3 153 160 A A H X S+ 0 0 0 -4,-3.3 4,-2.0 -29,-0.4 -1,-0.2 0.870 108.7 52.8 -63.3 -34.8 31.3 54.8 64.3 154 161 A R H X S+ 0 0 136 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.957 109.1 47.9 -64.0 -49.5 32.8 57.7 62.3 155 162 A K H X S+ 0 0 105 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.911 112.6 49.4 -57.1 -43.8 35.9 55.6 61.5 156 163 A N H X S+ 0 0 0 -4,-2.5 4,-1.3 -31,-0.2 -1,-0.2 0.849 109.7 50.8 -66.5 -34.1 33.7 52.7 60.5 157 164 A A H <>S+ 0 0 1 -4,-2.0 5,-2.5 2,-0.2 6,-0.4 0.916 114.6 43.7 -67.6 -42.9 31.6 54.9 58.2 158 165 A E H ><5S+ 0 0 129 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.888 107.2 61.9 -67.2 -39.4 34.7 56.3 56.6 159 166 A R H 3<5S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 111.0 37.9 -56.6 -34.7 36.1 52.8 56.4 160 167 A H T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.179 116.8-108.6-105.6 17.2 33.2 51.6 54.1 161 168 A G T < 5S+ 0 0 54 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.894 87.0 110.8 61.1 47.0 32.9 54.8 52.1 162 169 A V >>< + 0 0 3 -5,-2.5 3,-1.7 -6,-0.1 4,-0.7 0.119 29.1 115.6-134.7 21.8 29.6 56.1 53.5 163 170 A S T 34 S+ 0 0 47 -6,-0.4 3,-0.1 1,-0.3 -5,-0.1 0.726 75.6 61.0 -63.2 -22.5 30.8 59.2 55.4 164 171 A D T 34 S+ 0 0 111 1,-0.2 -1,-0.3 -7,-0.1 3,-0.1 0.611 116.5 30.0 -80.6 -11.4 28.8 61.3 53.0 165 172 A R T <4 S+ 0 0 54 -3,-1.7 -25,-3.2 1,-0.2 2,-0.4 0.293 109.7 70.1-129.8 10.0 25.6 59.5 54.0 166 173 A F E < +d 140 0B 8 -4,-0.7 2,-0.4 -27,-0.2 -25,-0.2 -0.965 56.0 178.9-132.9 114.1 26.2 58.6 57.7 167 174 A F E -d 141 0B 87 -27,-3.0 -25,-3.7 -2,-0.4 2,-0.4 -0.964 4.3-171.8-119.8 130.1 26.3 61.4 60.3 168 175 A V E -d 142 0B 7 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.961 4.2-179.5-125.2 139.1 26.8 60.7 64.0 169 176 A R E -d 143 0B 39 -27,-2.2 -25,-1.2 -2,-0.4 2,-0.2 -0.972 31.7-109.4-133.6 149.1 26.6 63.1 66.9 170 177 A K E S+d 144 0B 127 -2,-0.3 -25,-0.2 -27,-0.2 2,-0.2 -0.503 71.8 74.7 -76.3 144.5 27.1 62.5 70.7 171 178 A G S S- 0 0 21 -27,-2.4 2,-0.3 -2,-0.2 -25,-0.1 -0.793 76.9 -60.0 141.9 176.7 24.0 62.7 72.8 172 179 A E S > S- 0 0 93 -2,-0.2 3,-2.2 -27,-0.1 -28,-0.1 -0.707 85.7 -33.4-102.4 150.3 20.9 60.7 73.8 173 180 A F T 3 S- 0 0 17 -2,-0.3 -51,-0.2 1,-0.3 -53,-0.1 -0.231 119.2 -36.9 48.1-119.8 18.0 59.4 71.7 174 181 A L T > S+ 0 0 2 1,-0.1 3,-2.1 -53,-0.1 -1,-0.3 0.233 102.3 115.8-117.8 14.2 17.6 62.0 68.9 175 182 A E G X S+ 0 0 52 -3,-2.2 3,-1.2 1,-0.3 -2,-0.1 0.856 74.0 57.2 -51.0 -41.3 18.3 65.2 70.9 176 183 A P G 3 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.682 111.5 44.6 -66.5 -14.5 21.5 66.0 68.8 177 184 A F G X> + 0 0 0 -3,-2.1 3,-2.1 1,-0.1 4,-1.1 -0.129 66.7 136.0-120.8 36.2 19.3 66.0 65.7 178 185 A K G X4 S+ 0 0 51 -3,-1.2 3,-0.7 232,-0.3 4,-0.4 0.868 73.5 56.2 -50.8 -41.1 16.2 68.0 66.7 179 186 A E G 34 S+ 0 0 27 231,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.632 111.0 44.4 -68.2 -14.1 16.2 69.9 63.5 180 187 A K G X> S+ 0 0 49 -3,-2.1 4,-0.9 -6,-0.2 3,-0.5 0.545 84.1 97.5-106.4 -10.3 16.0 66.6 61.5 181 188 A F G X< S+ 0 0 45 -4,-1.1 3,-1.6 -3,-0.7 -2,-0.1 0.890 83.0 48.5 -45.9 -55.9 13.4 64.9 63.6 182 189 A A G 34 S+ 0 0 81 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.874 110.5 53.9 -54.2 -39.0 10.4 65.8 61.4 183 190 A S G <4 S+ 0 0 59 -3,-0.5 2,-0.5 -4,-0.2 -1,-0.3 0.577 83.4 104.4 -74.3 -11.1 12.4 64.6 58.3 184 191 A I << - 0 0 2 -3,-1.6 -66,-0.2 -4,-0.9 3,-0.1 -0.631 43.0-179.1 -80.8 121.8 13.2 61.1 59.7 185 192 A E + 0 0 44 -68,-1.4 50,-1.6 -2,-0.5 2,-0.4 0.729 68.6 28.1 -88.2 -29.1 11.1 58.3 58.1 186 193 A M E -ce 118 235B 0 -69,-1.3 -67,-2.7 48,-0.2 2,-0.6 -0.992 61.0-159.5-142.4 132.1 12.5 55.3 60.1 187 194 A I E -ce 119 236B 1 48,-2.8 50,-2.2 -2,-0.4 2,-0.3 -0.951 16.9-176.3-114.3 115.9 14.0 55.0 63.5 188 195 A L E +ce 120 237B 1 -69,-3.3 -67,-2.1 -2,-0.6 2,-0.2 -0.729 8.8 157.4-107.8 160.0 16.2 51.9 64.2 189 196 A S E -ce 121 238B 0 48,-1.2 50,-2.3 -2,-0.3 -67,-0.1 -0.843 38.6-161.0 178.2 143.1 17.9 50.8 67.3 190 197 A N - 0 0 0 -69,-0.6 50,-0.1 -68,-0.3 3,-0.1 -0.828 43.6-179.2-125.7 82.7 19.4 48.0 69.3 191 198 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 23,-0.1 -0.177 39.6 -78.7 -80.5 173.2 19.3 49.7 72.7 192 199 A P + 0 0 8 0, 0.0 29,-0.4 0, 0.0 20,-0.2 -0.649 57.0 159.2 -74.0 123.4 20.4 48.5 76.1 193 200 A Y + 0 0 14 -2,-0.5 2,-0.3 19,-0.3 20,-0.2 0.087 25.5 120.9-135.7 26.6 17.6 46.2 77.3 194 201 A V B -h 213 0C 29 18,-2.7 20,-2.8 1,-0.1 24,-0.2 -0.715 66.5-110.6 -92.2 141.2 19.3 44.0 80.0 195 202 A K > - 0 0 118 -2,-0.3 3,-2.2 18,-0.2 21,-0.2 -0.470 20.8-122.6 -71.8 142.4 17.8 44.1 83.5 196 203 A S T 3 S+ 0 0 28 19,-2.0 20,-0.1 1,-0.3 -1,-0.1 0.845 114.4 50.0 -50.0 -38.6 20.0 45.7 86.2 197 204 A S T 3 S+ 0 0 89 19,-0.3 -1,-0.3 18,-0.2 19,-0.1 0.483 83.4 119.6 -82.6 -4.7 19.9 42.4 88.1 198 205 A A < - 0 0 31 -3,-2.2 2,-0.4 1,-0.1 -4,-0.0 -0.328 69.1-115.6 -64.1 142.8 20.9 40.2 85.2 199 206 A H - 0 0 145 1,-0.0 -1,-0.1 -2,-0.0 -2,-0.1 -0.675 26.3-136.9 -81.5 128.2 24.1 38.2 85.6 200 207 A L - 0 0 6 -2,-0.4 5,-0.0 2,-0.0 -1,-0.0 -0.720 13.9-129.0 -89.9 130.0 26.8 39.2 83.2 201 208 A P > - 0 0 61 0, 0.0 4,-1.1 0, 0.0 3,-0.2 -0.344 35.5 -97.6 -69.5 158.2 28.9 36.5 81.5 202 209 A K T 4 S+ 0 0 99 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.842 121.0 45.9 -45.8 -45.0 32.6 36.8 81.7 203 210 A D T >4 S+ 0 0 62 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.897 108.1 52.0 -72.7 -39.7 33.0 38.3 78.3 204 211 A V G >4 S+ 0 0 14 1,-0.3 3,-1.5 -3,-0.2 -1,-0.2 0.652 92.9 78.7 -70.8 -9.6 30.2 40.9 78.4 205 212 A L G 3< S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.781 91.9 52.7 -65.3 -25.2 31.8 42.0 81.7 206 213 A F G < S+ 0 0 4 -3,-1.7 -115,-0.5 -4,-0.3 -1,-0.3 0.377 93.4 90.3 -92.3 2.2 34.4 43.8 79.4 207 214 A E S < S- 0 0 7 -3,-1.5 -114,-0.1 1,-0.1 5,-0.1 -0.587 95.2 -78.0 -97.8 163.3 31.8 45.7 77.4 208 215 A P > - 0 0 8 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.375 34.3-148.1 -59.1 124.7 30.4 49.2 78.2 209 216 A P G >> S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-1.7 0.840 96.6 64.2 -64.3 -29.1 27.8 48.9 80.9 210 217 A E G 34 S+ 0 0 92 1,-0.3 -65,-0.1 2,-0.2 -64,-0.0 0.646 98.2 57.9 -67.4 -12.3 25.9 51.8 79.4 211 218 A A G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -20,-0.1 -18,-0.2 0.569 114.0 36.1 -91.9 -10.1 25.4 49.6 76.4 212 219 A L T <4 S+ 0 0 5 -3,-1.7 -18,-2.7 -4,-0.3 -19,-0.3 0.872 93.1 77.4-107.1 -57.7 23.7 46.9 78.4 213 220 A F B < +h 194 0C 51 -4,-1.7 -18,-0.2 -20,-0.2 3,-0.1 -0.414 34.1 174.9 -74.9 131.0 21.5 48.0 81.3 214 221 A G >> - 0 0 3 -20,-2.8 6,-2.7 1,-0.5 4,-1.6 -0.173 55.3 -97.0-119.5 37.7 17.9 49.4 80.9 215 222 A G T 45 - 0 0 15 3,-0.2 -19,-2.0 2,-0.2 -1,-0.5 -0.241 69.6 -35.8 80.8-170.8 17.0 49.7 84.6 216 223 A E T 45S+ 0 0 153 -21,-0.2 -19,-0.3 1,-0.2 -1,-0.2 0.890 147.2 35.4 -52.0 -45.1 15.0 47.3 86.9 217 224 A D T 45S- 0 0 64 -3,-0.3 -1,-0.2 -22,-0.1 -2,-0.2 0.876 100.7-129.2 -74.8 -46.0 12.8 46.4 83.9 218 225 A G T <5S+ 0 0 0 -4,-1.6 -3,-0.2 -24,-0.2 23,-0.1 0.517 92.2 94.7 95.3 14.3 15.5 46.6 81.2 219 226 A L >< + 0 0 2 -5,-0.6 4,-2.5 2,-0.1 5,-0.2 0.258 38.9 109.2-119.1 8.1 12.8 48.8 79.5 220 227 A D H > S+ 0 0 81 -6,-2.7 4,-2.3 1,-0.2 5,-0.2 0.842 79.5 53.0 -55.7 -37.1 13.9 52.3 80.6 221 228 A F H > S+ 0 0 17 -29,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.946 111.6 45.1 -64.6 -47.9 15.1 53.1 77.1 222 229 A Y H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.925 113.3 50.0 -61.2 -47.5 11.8 52.2 75.5 223 230 A R H X S+ 0 0 82 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.950 115.7 41.5 -57.0 -53.2 9.7 54.0 78.1 224 231 A E H X S+ 0 0 86 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.885 117.0 48.0 -64.8 -39.9 11.6 57.2 77.9 225 232 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 3,-0.2 0.973 117.5 38.8 -65.2 -55.8 11.9 57.1 74.1 226 233 A F H < S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 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0.307 80.1 124.6 88.4 -9.6 27.9 77.9 45.4 539 271 B K S S- 0 0 85 -5,-0.1 -4,-4.6 1,-0.1 2,-0.3 -0.518 71.4-104.1 -83.4 151.7 27.6 81.6 46.2 540 272 B Y E + P 0 534F 89 -23,-0.3 -6,-0.3 -6,-0.3 -21,-0.1 -0.615 55.4 154.5 -72.5 131.8 29.5 83.1 49.1 541 273 B R E + 0 0 19 -8,-2.7 -26,-2.4 -2,-0.3 2,-0.4 0.626 41.8 48.2-136.8 -21.0 26.9 83.6 51.9 542 274 B F E -OP 514 533F 1 -9,-1.8 -9,-1.9 -28,-0.3 2,-0.5 -0.964 51.7-151.8-133.0 147.2 28.2 83.6 55.4 543 275 B L E -OP 513 532F 0 -30,-2.5 -30,-1.9 -2,-0.4 2,-0.5 -0.968 17.3-165.7-114.3 128.1 31.0 85.4 57.4 544 276 B L E +OP 512 531F 23 -13,-3.1 -13,-2.7 -2,-0.5 2,-0.6 -0.945 10.7 179.8-123.0 113.3 32.3 83.5 60.4 545 277 B L E -O 511 0F 2 -34,-2.8 -34,-2.9 -2,-0.5 2,-0.8 -0.945 7.1-170.0-112.5 110.2 34.5 85.2 63.0 546 278 B N E +O 510 0F 67 -2,-0.6 -36,-0.2 -17,-0.3 -39,-0.0 -0.841 23.1 153.2-105.1 97.2 35.5 82.7 65.8 547 279 B R + 0 0 90 -38,-2.1 -39,-1.3 -2,-0.8 2,-0.8 -0.118 24.9 135.0-113.0 34.1 37.2 84.7 68.6 548 280 B R 0 0 85 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