==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-MAR-04 1SR5 . COMPND 2 MOLECULE: ANTITHROMBIN-III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DEMENTIEV,M.PETITOU,P.G.GETTINS . 689 7 7 3 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 69 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 1 2 3 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 0 0 1 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 . 5 4 3 6 4 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 1 0 2 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 5 A V 0 0 161 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 144.1 12.5 6.7 46.5 2 6 A D - 0 0 90 3,-0.2 3,-0.2 1,-0.1 148,-0.1 -0.892 360.0-167.7-108.0 110.8 15.7 5.0 45.1 3 7 A I S > S+ 0 0 39 -2,-0.7 3,-1.7 1,-0.2 -1,-0.1 0.859 86.9 55.2 -64.5 -40.4 16.8 1.8 46.8 4 8 A a T 3 S+ 0 0 64 1,-0.3 -1,-0.2 110,-0.1 -2,-0.0 0.870 118.6 36.2 -62.8 -33.9 20.2 1.5 45.2 5 9 A T T 3 S+ 0 0 112 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 -0.104 103.3 108.7-107.2 31.9 20.9 5.1 46.5 6 10 A A < - 0 0 12 -3,-1.7 -3,-0.1 -5,-0.1 3,-0.0 -0.670 57.6-141.1-107.3 163.6 19.0 4.6 49.7 7 11 A K >> - 0 0 115 -2,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.990 22.1-123.4-128.9 132.9 20.2 4.2 53.3 8 12 A P T 34 S+ 0 0 21 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.814 118.2 45.4 -37.4 -43.1 18.8 1.9 56.0 9 13 A R T 34 S+ 0 0 209 1,-0.2 4,-0.1 3,-0.1 -3,-0.0 0.917 103.5 64.5 -69.7 -43.7 18.2 4.9 58.2 10 14 A D T <4 S+ 0 0 69 -3,-0.5 -1,-0.2 2,-0.1 -4,-0.0 0.738 109.3 37.3 -52.7 -28.5 16.7 6.9 55.3 11 15 A I S < S- 0 0 41 -4,-1.3 136,-0.0 -3,-0.3 2,-0.0 -0.942 99.2 -86.6-130.8 152.6 13.7 4.5 55.0 12 16 A P + 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.284 49.6 160.4 -55.6 124.8 11.5 2.5 57.4 13 17 A M + 0 0 16 -4,-0.1 94,-0.1 -5,-0.0 93,-0.1 0.559 25.1 123.6-119.6 -19.7 13.2 -0.8 58.1 14 18 A N - 0 0 80 1,-0.1 90,-0.1 2,-0.1 89,-0.0 -0.173 37.5-172.9 -54.7 122.8 11.6 -2.0 61.4 15 19 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.904 34.1-109.9 -82.3 -81.5 10.2 -5.4 60.7 16 20 A M S S+ 0 0 108 1,-0.7 2,-0.3 64,-0.1 63,-0.1 0.133 87.2 36.6 177.8 -32.7 8.2 -6.7 63.7 17 21 A b - 0 0 17 61,-0.3 -1,-0.7 60,-0.2 2,-0.3 -0.812 62.6-153.1-129.0 176.3 10.2 -9.5 65.2 18 22 A I - 0 0 90 -2,-0.3 2,-0.3 -3,-0.1 67,-0.1 -0.997 2.4-157.7-153.2 148.5 13.9 -10.4 65.7 19 23 A Y + 0 0 52 -2,-0.3 84,-0.1 66,-0.1 83,-0.0 -0.872 16.2 162.6-123.2 157.7 16.2 -13.4 66.1 20 24 A R + 0 0 173 -2,-0.3 79,-0.0 82,-0.0 75,-0.0 0.018 9.8 175.6-172.5 53.1 19.6 -13.7 67.7 21 25 A S 0 0 50 1,-0.1 -2,-0.0 65,-0.0 65,-0.0 0.264 360.0 360.0 -50.6-173.7 20.9 -17.2 68.6 22 26 A P 0 0 179 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.805 360.0 360.0 -81.9 360.0 24.5 -17.7 70.0 23 ! 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 24 38 A Q 0 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.7 39.1 -14.0 54.5 25 39 A K - 0 0 76 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.753 360.0-115.8-122.5 168.9 39.3 -10.6 52.8 26 40 A I - 0 0 78 -2,-0.2 2,-0.2 4,-0.0 6,-0.1 -0.906 28.0-119.3-111.8 135.6 36.8 -8.0 51.4 27 41 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 8,-0.1 -0.485 38.1-100.8 -72.6 135.3 36.5 -6.9 47.7 28 42 A E S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.064 102.3 19.5 -54.0 153.6 37.2 -3.3 46.9 29 43 A A S S+ 0 0 104 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.957 100.9 121.9 46.2 62.3 34.3 -0.9 46.3 30 44 A T - 0 0 29 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.2 -0.963 66.0-117.9-155.6 136.1 31.9 -3.2 48.1 31 45 A N > - 0 0 54 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.553 21.2-138.4 -74.1 134.7 29.6 -2.9 51.1 32 46 A R H > S+ 0 0 181 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.873 101.3 48.8 -64.3 -35.7 30.6 -5.3 53.9 33 47 A R H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 108.3 51.6 -69.2 -48.1 27.1 -6.2 54.8 34 48 A V H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 111.1 52.3 -54.6 -36.4 26.1 -6.9 51.2 35 49 A W H X S+ 0 0 77 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.991 107.9 48.0 -60.6 -63.0 29.2 -9.1 51.2 36 50 A E H X S+ 0 0 28 -4,-2.5 4,-0.9 1,-0.3 -2,-0.2 0.832 112.2 51.4 -45.8 -42.5 28.2 -11.1 54.3 37 51 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.3 0.939 112.3 44.7 -64.2 -49.4 24.7 -11.6 52.9 38 52 A S H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.3 5,-0.3 0.978 106.9 56.7 -57.8 -59.9 26.0 -12.9 49.5 39 53 A K H X S+ 0 0 51 -4,-2.7 4,-0.7 1,-0.2 -1,-0.3 0.803 108.5 54.4 -41.8 -30.3 28.6 -15.2 51.1 40 54 A A H >X S+ 0 0 9 -4,-0.9 4,-2.3 -5,-0.4 3,-2.1 0.984 102.9 50.4 -69.5 -60.9 25.5 -16.5 52.8 41 55 A N H 3X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.3 -2,-0.2 0.806 107.1 56.3 -48.8 -33.6 23.4 -17.3 49.7 42 56 A S H 3X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.818 108.2 48.6 -70.2 -26.9 26.4 -19.2 48.3 43 57 A R H X S+ 0 0 1 -4,-1.3 4,-2.8 1,-0.2 3,-0.7 0.878 114.4 44.4 -34.6 -70.3 25.1 -25.6 47.4 47 61 A T H 3X S+ 0 0 54 -4,-0.9 4,-2.1 1,-0.3 5,-0.3 0.864 113.0 50.1 -45.3 -51.4 22.9 -27.5 49.9 48 62 A F H 3X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.867 110.8 50.2 -61.1 -34.9 19.7 -26.5 48.2 49 63 A Y H X S+ 0 0 11 -4,-1.8 4,-1.9 -5,-0.3 3,-1.1 0.945 107.8 44.0 -61.3 -49.9 17.2 -30.6 44.6 53 67 A A H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.4 64.1 -66.8 -24.8 19.3 -32.8 42.4 54 68 A D H 3< S+ 0 0 142 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.731 110.5 39.9 -69.5 -22.8 18.6 -35.7 44.7 55 69 A S H << S+ 0 0 83 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.1 0.927 103.0 69.2 -85.8 -73.0 14.9 -35.3 43.6 56 70 A K S < S- 0 0 29 -4,-1.9 2,-0.1 1,-0.1 6,-0.1 -0.178 97.9-100.7 -50.3 137.1 15.2 -34.6 39.9 57 71 A N > - 0 0 86 1,-0.1 3,-3.7 4,-0.1 -1,-0.1 -0.364 32.0-107.3 -64.8 139.2 16.3 -37.6 37.9 58 72 A D T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.718 120.1 49.1 -35.8 -37.5 20.0 -37.8 36.9 59 73 A N T 3 S+ 0 0 26 2,-0.1 2,-0.7 168,-0.1 -1,-0.3 0.602 86.6 97.0 -85.1 -11.3 19.1 -37.1 33.3 60 74 A D S < S- 0 0 85 -3,-3.7 2,-0.2 -7,-0.1 346,-0.0 -0.690 74.4-139.5 -78.2 114.0 16.9 -34.1 34.1 61 75 A N - 0 0 40 -2,-0.7 2,-0.3 348,-0.2 346,-0.2 -0.530 20.9-145.0 -75.4 146.2 19.1 -31.1 33.5 62 76 A I E +A 406 0A 2 344,-0.8 344,-2.1 -2,-0.2 2,-0.3 -0.789 24.3 173.0-115.3 154.9 18.7 -28.4 36.2 63 77 A F E +A 405 0A 0 -2,-0.3 290,-0.5 342,-0.3 2,-0.3 -0.815 16.2 150.4-161.3 119.6 18.8 -24.6 36.3 64 78 A L E -A 404 0A 0 340,-2.9 340,-1.3 -2,-0.3 3,-0.1 -0.983 41.1-130.6-149.2 158.1 17.9 -22.4 39.3 65 79 A S > - 0 0 2 -2,-0.3 4,-1.5 338,-0.2 3,-0.2 -0.745 20.4-178.5-111.6 83.6 18.7 -19.0 40.9 66 80 A P H >> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.889 85.5 53.9 -47.9 -43.4 19.3 -19.7 44.6 67 81 A L H 3> S+ 0 0 4 334,-0.8 4,-2.5 335,-0.5 5,-0.3 0.950 102.9 56.1 -57.1 -48.6 19.8 -16.0 45.2 68 82 A S H 3> S+ 0 0 1 334,-0.5 4,-1.0 -3,-0.2 -1,-0.3 0.830 111.7 45.3 -51.5 -34.4 16.5 -15.3 43.6 69 83 A I H XX S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.5 3,-0.8 0.987 109.5 52.6 -71.0 -64.0 15.0 -17.7 46.2 70 84 A S H 3X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 5,-0.2 0.870 107.2 51.8 -36.5 -60.9 16.9 -16.3 49.3 71 85 A T H 3< S+ 0 0 2 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.903 111.2 50.7 -46.8 -46.2 15.8 -12.7 48.6 72 86 A A H XX S+ 0 0 1 -4,-1.0 3,-1.7 -3,-0.8 4,-0.7 0.920 109.8 45.1 -62.0 -49.4 12.2 -14.0 48.5 73 87 A F H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.673 104.4 66.5 -71.1 -9.7 12.2 -16.0 51.7 74 88 A A H 3X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.4 32,-0.3 0.696 95.6 58.3 -77.3 -20.4 13.9 -12.9 53.1 75 89 A M H <4 S+ 0 0 1 -3,-1.7 4,-0.2 -4,-0.5 -2,-0.2 0.769 105.6 45.6 -79.0 -28.1 10.6 -11.3 52.4 76 90 A T H >< S+ 0 0 2 -4,-0.7 3,-2.5 1,-0.2 -2,-0.2 0.846 103.4 64.5 -80.8 -33.4 8.6 -13.7 54.6 77 91 A K H 3< S+ 0 0 4 -4,-1.7 3,-0.4 1,-0.3 -60,-0.2 0.821 87.3 70.9 -56.0 -30.2 11.3 -13.2 57.3 78 92 A L T 3< S+ 0 0 6 -4,-0.7 2,-0.4 1,-0.3 -61,-0.3 0.824 116.1 24.5 -56.6 -28.4 10.1 -9.6 57.4 79 93 A G S < S+ 0 0 0 -3,-2.5 -1,-0.3 -4,-0.2 2,-0.2 -0.938 96.0 107.3-138.5 110.1 7.1 -11.2 59.0 80 94 A A - 0 0 1 -2,-0.4 257,-0.2 -3,-0.4 -63,-0.1 -0.675 47.0-172.4 176.5 134.1 8.1 -14.5 60.5 81 95 A b > - 0 0 21 255,-1.3 4,-0.6 -2,-0.2 5,-0.4 0.308 41.7 -15.9-118.0-127.1 8.3 -14.7 64.3 82 96 A N H > S- 0 0 132 3,-0.2 4,-1.5 2,-0.2 254,-0.1 0.960 130.2 -0.5 -59.8 -73.5 9.4 -17.0 67.2 83 97 A D H > S+ 0 0 108 2,-0.2 4,-1.0 252,-0.1 5,-0.2 0.924 131.7 56.5 -80.3 -51.4 9.9 -20.5 65.8 84 98 A T H >> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.912 114.9 44.8 -46.2 -42.6 8.9 -19.9 62.1 85 99 A L H 3X S+ 0 0 4 -4,-0.6 4,-2.2 1,-0.2 5,-0.4 0.940 101.7 61.5 -66.1 -50.2 11.7 -17.3 62.3 86 100 A Q H 3< S+ 0 0 30 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.646 110.8 47.8 -54.8 -9.6 14.3 -19.5 64.1 87 101 A Q H XX S+ 0 0 30 -4,-1.0 4,-3.7 -3,-0.5 3,-1.2 0.898 104.4 50.6 -95.7 -62.6 13.9 -21.6 61.0 88 102 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 6,-0.4 0.909 117.1 46.4 -41.4 -47.9 14.2 -19.2 58.1 89 103 A M H 3< S+ 0 0 2 -4,-2.2 6,-2.6 1,-0.2 5,-0.5 0.782 116.1 44.5 -66.6 -29.6 17.3 -18.0 59.8 90 104 A E H X4 S+ 0 0 53 -3,-1.2 3,-0.5 -5,-0.4 -2,-0.2 0.878 118.8 40.8 -82.3 -40.9 18.6 -21.5 60.4 91 105 A V H 3< S+ 0 0 21 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.926 114.2 48.2 -74.7 -49.4 17.8 -22.9 57.0 92 106 A F T 3< S- 0 0 0 -4,-2.5 -48,-0.2 -5,-0.4 -1,-0.2 0.194 110.3-117.6 -80.4 18.9 18.9 -20.0 54.7 93 107 A K S X S+ 0 0 23 -3,-0.5 3,-0.5 1,-0.1 -3,-0.2 0.702 81.2 124.5 54.0 24.4 22.1 -19.7 56.6 94 108 A F G > + 0 0 2 -5,-0.5 3,-1.7 -6,-0.4 -4,-0.2 0.649 48.3 91.1 -83.2 -14.9 21.3 -16.2 57.8 95 109 A D G 3 S+ 0 0 66 -6,-2.6 -1,-0.2 1,-0.3 -5,-0.1 0.348 87.8 47.2 -62.1 8.7 21.8 -17.4 61.4 96 110 A T G < S+ 0 0 118 -3,-0.5 -1,-0.3 -7,-0.1 -2,-0.1 0.497 90.3 103.1-126.0 -11.4 25.5 -16.4 61.1 97 111 A I S < S- 0 0 34 -3,-1.7 -64,-0.0 1,-0.1 -3,-0.0 0.024 78.3 -71.9 -71.4 178.0 25.3 -12.9 59.6 98 112 A S > - 0 0 37 -65,-0.1 4,-2.5 1,-0.1 -1,-0.1 -0.176 38.6-120.6 -65.9 159.1 25.6 -9.4 61.2 99 113 A E H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.993 112.7 39.6 -67.1 -63.0 23.0 -7.9 63.6 100 114 A K H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.864 116.6 55.1 -55.4 -35.5 22.1 -4.8 61.6 101 115 A T H 4 S+ 0 0 0 2,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.949 107.2 49.0 -64.6 -46.4 22.4 -6.9 58.5 102 116 A S H >< S+ 0 0 9 -4,-2.5 3,-3.3 1,-0.2 4,-0.3 0.981 109.1 49.2 -54.1 -67.5 19.9 -9.5 59.9 103 117 A D H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.729 125.6 31.7 -44.8 -28.0 17.2 -7.0 60.9 104 118 A Q T 3X S+ 0 0 29 -4,-1.2 4,-1.6 -3,-0.3 3,-0.4 0.174 79.1 129.7-117.4 14.4 17.5 -5.4 57.5 105 119 A I H <> S+ 0 0 0 -3,-3.3 4,-2.0 1,-0.3 5,-0.2 0.862 74.6 52.8 -34.5 -56.0 18.4 -8.5 55.6 106 120 A H H >> S+ 0 0 4 -4,-0.3 4,-1.8 -32,-0.3 3,-0.8 0.943 106.7 53.4 -47.6 -56.9 15.7 -7.7 53.0 107 121 A F H >> S+ 0 0 21 -3,-0.4 4,-1.9 1,-0.3 3,-1.4 0.927 108.7 47.5 -42.0 -65.2 17.1 -4.3 52.5 108 122 A F H 3X S+ 0 0 4 -4,-1.6 4,-3.1 1,-0.3 -1,-0.3 0.783 105.3 59.0 -51.2 -32.0 20.6 -5.5 51.8 109 123 A F H > S+ 0 0 142 -3,-0.5 4,-1.4 -5,-0.5 3,-1.0 0.930 112.4 38.5 -86.0 -56.9 23.4 -3.8 37.1 119 133 A K H 3< S+ 0 0 36 -4,-2.0 4,-0.5 1,-0.2 5,-0.2 0.866 117.7 53.2 -58.6 -37.8 26.5 -5.8 36.3 120 134 A A T 3< S+ 0 0 2 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.637 112.9 42.1 -74.3 -16.8 24.3 -8.5 34.6 121 135 A N T <4 S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.603 89.4 78.8-106.6 -16.7 22.5 -6.0 32.3 122 136 A K S < S+ 0 0 97 -4,-1.4 -2,-0.1 -3,-0.1 -3,-0.1 0.825 122.6 8.1 -60.2 -26.0 25.2 -3.7 31.1 123 137 A S S S+ 0 0 36 -4,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.726 125.9 35.9-114.8 -77.0 25.9 -6.7 28.8 124 138 A S S S- 0 0 7 -4,-0.3 2,-0.8 -5,-0.2 85,-0.2 -0.146 84.2 -90.2 -83.9 174.7 23.4 -9.6 28.8 125 139 A K E +I 208 0B 47 83,-1.4 83,-1.9 -3,-0.1 2,-0.4 -0.773 47.0 170.3 -91.3 105.4 19.6 -9.9 29.1 126 140 A L E +I 207 0B 16 -2,-0.8 2,-0.3 81,-0.2 81,-0.2 -0.889 5.8 155.5-112.0 144.4 18.6 -10.3 32.7 127 141 A V E +I 206 0B 38 79,-1.5 79,-2.6 -2,-0.4 2,-0.3 -0.819 8.5 169.3-172.2 130.3 15.0 -10.2 33.7 128 142 A S - 0 0 29 77,-0.3 2,-0.5 -2,-0.3 77,-0.2 -0.974 21.7-149.3-145.8 156.6 13.0 -11.5 36.5 129 143 A A + 0 0 5 -2,-0.3 75,-2.2 51,-0.1 2,-0.4 -0.943 21.6 174.3-132.4 109.2 9.6 -11.2 38.1 130 144 A N E +J 203 0B 24 -2,-0.5 2,-0.3 73,-0.2 73,-0.2 -0.956 11.0 144.7-119.4 135.5 9.2 -11.7 41.8 131 145 A R E -J 202 0B 39 71,-3.3 71,-2.3 -2,-0.4 2,-0.4 -0.980 36.9-126.9-163.9 155.2 6.1 -11.3 43.9 132 146 A L E -J 201 0B 10 -2,-0.3 25,-2.3 22,-0.2 2,-0.4 -0.850 23.9-158.9-107.6 142.4 4.1 -12.5 46.9 133 147 A F E +Jk 200 157B 11 67,-2.7 67,-2.8 -2,-0.4 2,-0.3 -0.965 16.9 158.3-129.7 140.3 0.4 -13.5 46.8 134 148 A G E -Jk 199 158B 0 23,-2.4 25,-3.1 -2,-0.4 2,-0.2 -0.914 44.9 -76.7-145.4 169.6 -2.4 -13.9 49.3 135 149 A D - 0 0 4 63,-1.0 25,-0.2 23,-0.3 3,-0.1 -0.495 24.5-135.7 -77.9 139.4 -6.3 -14.0 49.4 136 150 A K S S+ 0 0 62 23,-0.3 2,-1.8 1,-0.3 -1,-0.1 0.688 97.6 87.3 -61.4 -17.8 -8.3 -10.8 49.2 137 151 A S S S+ 0 0 71 22,-0.3 -1,-0.3 2,-0.0 2,-0.3 -0.186 92.6 47.4 -76.1 44.0 -10.2 -12.4 52.0 138 152 A L S S- 0 0 53 -2,-1.8 2,-0.4 -4,-0.1 -4,-0.1 -0.972 75.9-124.5-171.1 169.5 -7.7 -10.8 54.3 139 153 A T - 0 0 123 -2,-0.3 2,-0.1 201,-0.1 -4,-0.0 -0.999 27.7-144.3-133.6 128.9 -5.9 -7.6 55.2 140 154 A F - 0 0 19 -2,-0.4 200,-0.1 1,-0.1 199,-0.0 -0.399 34.7 -90.5 -98.5 168.8 -2.0 -7.4 55.3 141 155 A N - 0 0 54 1,-0.2 199,-0.1 198,-0.1 -1,-0.1 0.882 45.3-157.7 -44.7 -47.3 0.4 -5.4 57.5 142 156 A E S S+ 0 0 107 1,-0.1 -1,-0.2 198,-0.0 198,-0.1 0.387 88.7 63.2 80.5 -1.7 0.3 -2.6 55.0 143 157 A T S >> S+ 0 0 80 196,-0.2 4,-1.3 3,-0.1 3,-0.6 0.623 108.0 42.1-108.0 -40.5 3.6 -1.4 56.3 144 158 A Y H >> S+ 0 0 5 1,-0.3 4,-2.8 2,-0.2 3,-1.2 0.971 113.4 51.1 -64.8 -55.3 5.0 -4.7 55.1 145 159 A Q H 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.480 113.1 49.9 -62.6 1.1 2.9 -4.3 51.9 146 160 A D H <4 S+ 0 0 83 -3,-0.6 4,-0.4 2,-0.1 -1,-0.3 0.619 107.6 49.3-110.6 -24.0 4.6 -0.8 51.8 147 161 A I H XX>S+ 0 0 15 -4,-1.3 4,-2.9 -3,-1.2 3,-2.2 0.898 104.6 59.0 -79.0 -44.1 8.2 -2.0 52.3 148 162 A S H 3X5S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.3 6,-0.4 0.884 96.4 65.3 -49.3 -38.8 7.7 -4.6 49.6 149 163 A E H 345S+ 0 0 99 -5,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.840 119.4 20.4 -52.2 -36.2 7.0 -1.5 47.4 150 164 A L H <45S+ 0 0 25 -3,-2.2 3,-0.5 -4,-0.4 -2,-0.2 0.869 131.0 38.6-101.3 -53.0 10.6 -0.4 48.0 151 165 A V H <5S+ 0 0 14 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.546 129.7 27.6 -80.4 -7.6 12.7 -3.4 49.0 152 166 A Y S <> S+ 0 0 8 -8,-0.3 4,-1.6 2,-0.2 3,-1.4 0.941 101.5 55.3 -86.8 -61.0 -6.2 -16.4 40.3 169 183 A R T 34 S+ 0 0 13 24,-0.3 19,-0.2 1,-0.3 4,-0.2 0.450 122.3 36.6 -55.0 4.0 -3.7 -19.3 39.7 170 184 A A T 34 S+ 0 0 53 -4,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.451 100.6 70.1-132.7 -15.4 -3.7 -17.8 36.2 171 185 A A T <> S+ 0 0 58 -3,-1.4 4,-1.4 -4,-0.3 -2,-0.2 0.703 107.4 45.4 -68.7 -21.9 -3.9 -14.1 37.0 172 186 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 5,-0.4 0.915 108.9 50.6 -82.4 -56.5 -0.3 -14.7 38.2 173 187 A N H > S+ 0 0 29 -5,-0.3 4,-0.6 1,-0.3 13,-0.2 0.649 112.8 52.5 -57.0 -13.4 0.8 -16.8 35.2 174 188 A K H > S+ 0 0 54 -4,-0.3 4,-2.5 3,-0.1 -1,-0.3 0.885 110.8 44.6 -86.3 -48.8 -0.6 -13.7 33.4 175 189 A W H X S+ 0 0 79 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.989 112.7 48.1 -57.2 -69.0 1.4 -11.3 35.4 176 190 A V H X S+ 0 0 0 -4,-2.2 4,-4.0 1,-0.3 6,-0.4 0.890 112.2 52.1 -38.5 -53.9 4.8 -13.1 35.3 177 191 A S H <>S+ 0 0 36 -4,-0.6 5,-2.7 -5,-0.4 -1,-0.3 0.947 111.5 45.9 -49.1 -56.3 4.3 -13.5 31.6 178 192 A N H ><5S+ 0 0 138 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.948 118.8 41.9 -52.1 -55.0 3.6 -9.8 31.2 179 193 A K H 3<5S+ 0 0 48 -4,-2.9 2,-1.3 1,-0.3 -2,-0.2 0.937 111.0 52.7 -59.9 -53.5 6.6 -8.9 33.3 180 194 A T T >X5S- 0 0 0 -4,-4.0 3,-3.0 -5,-0.3 4,-0.5 -0.128 117.0-108.4 -83.7 44.1 9.1 -11.4 32.0 181 195 A E T <45S- 0 0 72 -2,-1.3 -3,-0.2 -3,-0.8 -1,-0.1 0.716 70.3 -63.7 40.2 24.5 8.4 -10.2 28.5 182 196 A G T 34 - 0 0 67 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.195 34.2 -97.6 -57.3 150.5 1.0 -25.4 37.4 190 204 A S T 3 S+ 0 0 113 1,-0.2 -24,-0.1 2,-0.1 -20,-0.0 -0.433 107.5 27.2 -70.5 144.6 -2.7 -25.7 37.0 191 205 A E T 3 S+ 0 0 110 -26,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.894 98.9 91.2 69.6 41.9 -4.5 -27.4 40.0 192 206 A A S < S+ 0 0 34 -3,-0.5 2,-0.6 -4,-0.1 -2,-0.1 0.462 76.6 56.9-134.0 -25.1 -1.8 -26.4 42.5 193 207 A I S S+ 0 0 4 -4,-0.3 -24,-0.3 -28,-0.2 -2,-0.2 -0.723 78.7 159.0-113.2 77.7 -3.3 -23.1 43.8 194 208 A N > - 0 0 89 -2,-0.6 3,-0.8 -3,-0.1 -30,-0.1 0.054 59.0 -73.4 -86.9-164.6 -6.7 -24.2 45.0 195 209 A E T 3 S+ 0 0 55 1,-0.2 -34,-0.1 -32,-0.1 -31,-0.1 0.740 130.4 50.9 -64.6 -25.4 -9.3 -22.7 47.5 196 210 A L T 3 S+ 0 0 61 -31,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.556 79.8 107.2 -90.3 -12.4 -7.2 -23.7 50.5 197 211 A T < + 0 0 9 -3,-0.8 3,-0.1 -36,-0.2 149,-0.0 -0.595 40.9 169.4 -69.1 115.9 -4.0 -22.1 49.1 198 212 A V + 0 0 33 -2,-0.6 -63,-1.0 1,-0.3 2,-0.4 0.829 59.1 18.2 -98.6 -40.8 -3.6 -19.0 51.4 199 213 A L E -J 134 0B 3 -65,-0.2 148,-3.0 -38,-0.0 149,-1.0 -0.998 63.0-177.4-138.9 134.7 -0.2 -17.6 50.7 200 214 A V E -Jl 133 348B 2 -67,-2.8 -67,-2.7 -2,-0.4 2,-0.5 -0.990 17.7-146.3-139.6 133.4 2.2 -18.2 47.8 201 215 A L E -Jl 132 349B 2 147,-1.0 149,-4.3 -2,-0.4 2,-0.5 -0.800 18.1-170.4 -94.1 129.2 5.7 -17.0 46.9 202 216 A V E +Jl 131 350B 1 -71,-2.3 -71,-3.3 -2,-0.5 2,-0.4 -0.967 14.1 160.6-127.1 118.1 6.4 -16.5 43.2 203 217 A N E +Jl 130 351B 0 147,-2.6 149,-1.4 -2,-0.5 -73,-0.2 -0.907 6.6 164.7-141.7 109.3 9.9 -15.9 41.9 204 218 A T E + l 0 352B 0 -75,-2.2 2,-0.2 -2,-0.4 149,-0.2 -0.400 6.7 178.4-107.8-172.2 10.9 -16.3 38.2 205 219 A I E - l 0 353B 3 147,-1.4 149,-0.7 -77,-0.2 2,-0.4 -0.813 14.4-156.8 171.8 149.2 13.9 -15.2 36.2 206 220 A Y E -Il 127 354B 8 -79,-2.6 -79,-1.5 -2,-0.2 2,-0.4 -0.998 12.9-179.1-140.7 134.7 15.4 -15.4 32.8 207 221 A F E +Il 126 355B 1 147,-2.8 149,-1.5 -2,-0.4 2,-0.5 -0.953 13.1 177.5-143.9 123.5 19.0 -15.0 31.8 208 222 A K E -I 125 0B 42 -83,-1.9 -83,-1.4 -2,-0.4 149,-0.1 -0.870 25.3-146.9-123.0 96.1 20.8 -15.1 28.4 209 223 A G - 0 0 7 -2,-0.5 2,-0.9 147,-0.5 149,-0.3 -0.345 4.9-141.3 -64.4 137.3 24.5 -14.4 28.8 210 224 A L - 0 0 43 51,-0.1 51,-2.4 150,-0.1 -86,-0.1 -0.879 30.8-127.1-101.1 103.0 26.2 -12.6 26.0 211 225 A W B -N 260 0C 5 -2,-0.9 50,-0.4 147,-0.4 49,-0.3 0.171 3.0-136.6 -43.4 161.5 29.7 -14.3 25.8 212 226 A K S S+ 0 0 96 47,-1.6 2,-0.7 1,-0.2 48,-0.2 0.725 102.3 52.3 -94.1 -31.3 32.9 -12.3 26.0 213 227 A S S S- 0 0 37 46,-0.4 2,-0.7 151,-0.1 -1,-0.2 -0.925 98.8-128.3-100.1 106.8 34.2 -14.5 23.1 214 228 A K - 0 0 27 149,-1.7 145,-0.1 -2,-0.7 151,-0.1 -0.375 19.1-133.2 -62.9 104.0 31.6 -14.3 20.4 215 229 A F - 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