==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-13 4K2D . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR R.M.MCMAHON . 191 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 1 0 1 0 0 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 128 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.6 -3.8 -43.3 -12.2 2 8 A P + 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.681 360.0 47.6 -72.3 -17.9 -5.4 -42.8 -15.6 3 9 A S S S+ 0 0 111 2,-0.0 3,-0.1 3,-0.0 0, 0.0 0.344 88.3 122.5 -98.9 3.1 -6.3 -39.5 -14.0 4 10 A A S S- 0 0 29 -3,-0.3 174,-0.1 1,-0.1 0, 0.0 -0.372 77.5 -89.0 -66.9 145.8 -2.8 -38.9 -12.7 5 11 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.232 45.1-122.4 -52.7 143.7 -1.1 -35.7 -13.7 6 12 A V >>> - 0 0 85 -3,-0.1 4,-2.6 1,-0.0 3,-1.8 -0.829 18.2-125.0 -99.6 117.3 0.9 -36.2 -16.9 7 13 A A B 345S+a 11 0A 63 -2,-0.6 5,-0.2 1,-0.3 -1,-0.0 -0.394 99.2 24.5 -57.9 128.7 4.6 -35.4 -16.8 8 14 A G T 345S+ 0 0 69 3,-2.4 -1,-0.3 -2,-0.1 4,-0.1 0.028 130.2 45.6 101.0 -27.3 5.5 -32.9 -19.5 9 15 A K T <45S+ 0 0 101 -3,-1.8 -2,-0.2 2,-0.0 -1,-0.1 0.778 119.2 27.8-110.4 -64.3 1.9 -31.5 -19.6 10 16 A D T <5S+ 0 0 33 -4,-2.6 155,-0.4 1,-0.1 2,-0.3 0.694 136.6 6.2 -78.7 -16.1 0.5 -30.9 -16.1 11 17 A F B - 0 0 82 0, 0.0 3,-1.8 0, 0.0 -2,-0.0 -0.431 53.8 -79.8 -73.7 151.3 16.0 -31.3 5.8 24 30 A A T 3 S+ 0 0 110 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.178 120.9 41.0 -44.2 139.6 15.3 -35.0 4.8 25 31 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.374 99.5 86.1 93.6 -8.6 11.7 -35.7 5.7 26 32 A K < - 0 0 72 -3,-1.8 2,-0.5 33,-0.0 32,-0.3 -0.997 69.4-140.6-122.2 135.7 10.3 -32.4 4.5 27 33 A V E -c 58 0B 7 30,-2.2 32,-2.3 -2,-0.4 2,-0.3 -0.823 21.5-130.3 -90.6 128.5 9.3 -31.7 0.9 28 34 A E E -c 59 0B 4 -2,-0.5 131,-2.8 30,-0.2 2,-0.4 -0.647 25.3-176.0 -79.5 131.4 10.2 -28.2 -0.3 29 35 A V E -cD 60 158B 0 30,-2.4 32,-1.8 -2,-0.3 2,-0.4 -0.996 1.6-171.9-130.0 125.6 7.5 -26.2 -2.0 30 36 A I E -cD 61 157B 0 127,-2.6 127,-2.6 -2,-0.4 2,-0.6 -0.974 8.5-160.1-120.5 130.6 8.2 -22.8 -3.5 31 37 A E E -cD 62 156B 0 30,-2.6 32,-2.7 -2,-0.4 2,-0.6 -0.950 4.0-160.7-110.5 110.0 5.6 -20.4 -4.9 32 38 A F E +cD 63 155B 0 123,-3.0 123,-2.1 -2,-0.6 2,-0.3 -0.854 32.4 155.5 -78.8 126.6 6.9 -17.8 -7.3 33 39 A F E -c 64 0B 3 30,-2.0 32,-2.0 -2,-0.6 2,-0.4 -0.919 38.7-140.2-148.3 166.1 4.2 -15.1 -7.3 34 40 A W > - 0 0 40 -2,-0.3 3,-2.0 30,-0.2 7,-0.2 -0.999 19.8-135.6-132.2 134.1 3.6 -11.4 -8.0 35 41 A Y T 3 S+ 0 0 4 -2,-0.4 64,-0.1 1,-0.3 -1,-0.1 0.821 106.1 55.1 -54.0 -33.4 1.2 -9.3 -5.9 36 42 A G T 3 S+ 0 0 4 35,-0.1 -1,-0.3 62,-0.1 3,-0.1 0.471 82.6 104.7 -81.9 -1.1 -0.2 -7.7 -9.0 37 43 A a <> - 0 0 8 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.690 60.9-152.1 -89.8 117.1 -1.1 -11.1 -10.6 38 44 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 97.5 50.6 -56.6 -36.8 -4.9 -11.8 -10.5 39 45 A H H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.892 109.3 51.1 -66.7 -39.2 -4.3 -15.6 -10.5 40 46 A a H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.934 111.4 48.8 -64.1 -41.2 -1.8 -15.3 -7.7 41 47 A Y H >< S+ 0 0 67 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.963 112.4 46.7 -62.2 -50.4 -4.4 -13.3 -5.7 42 48 A E H 3< S+ 0 0 107 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.842 111.0 54.1 -60.9 -33.1 -7.2 -15.9 -6.4 43 49 A F H >X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.681 83.9 89.5 -74.1 -18.9 -4.8 -18.7 -5.4 44 50 A E H S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.853 115.7 51.6 -65.4 -28.5 -6.7 -18.9 0.0 46 52 A T H <> S+ 0 0 55 -3,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.950 115.2 38.3 -73.1 -47.4 -6.2 -22.2 -1.8 47 53 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.904 113.5 56.9 -73.1 -39.7 -2.4 -22.4 -1.2 48 54 A E H X S+ 0 0 61 -4,-2.7 4,-2.2 -5,-0.4 -1,-0.2 0.915 110.7 43.5 -53.8 -49.2 -2.6 -21.0 2.3 49 55 A A H X S+ 0 0 61 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.903 113.9 50.0 -65.1 -41.6 -5.0 -23.7 3.4 50 56 A W H X S+ 0 0 27 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.924 112.0 48.6 -64.2 -44.7 -3.1 -26.5 1.7 51 57 A V H X S+ 0 0 26 -4,-2.9 4,-1.5 1,-0.2 3,-0.3 0.936 111.4 48.7 -59.8 -49.0 0.2 -25.4 3.3 52 58 A K H < S+ 0 0 157 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.906 109.2 54.5 -59.5 -39.4 -1.4 -25.2 6.7 53 59 A K H < S+ 0 0 169 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 105.4 52.3 -66.1 -32.3 -2.8 -28.6 6.2 54 60 A Q H >< S+ 0 0 10 -4,-1.7 3,-1.8 -3,-0.3 -1,-0.2 0.813 82.7 170.3 -74.5 -29.2 0.6 -30.2 5.4 55 61 A G G >< - 0 0 43 -4,-1.5 3,-1.4 -3,-0.3 -1,-0.2 -0.298 65.8 -0.9 60.5-134.2 2.2 -28.8 8.5 56 62 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.424 115.1 85.1 -71.0 -3.3 5.7 -30.1 9.2 57 63 A K G < S+ 0 0 102 -3,-1.8 -30,-2.2 -31,-0.1 2,-0.3 0.710 95.9 33.2 -73.1 -17.2 5.6 -32.4 6.2 58 64 A I E < -c 27 0B 9 -3,-1.4 2,-0.5 -32,-0.3 -30,-0.2 -0.878 65.9-137.1-136.1 162.0 6.8 -29.5 3.9 59 65 A A E -c 28 0B 29 -32,-2.3 -30,-2.4 -2,-0.3 2,-0.4 -0.965 35.6-170.8-120.4 109.0 9.0 -26.5 3.9 60 66 A F E +c 29 0B 50 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.816 13.2 162.0-108.9 138.3 7.1 -23.7 2.1 61 67 A K E -c 30 0B 79 -32,-1.8 -30,-2.6 -2,-0.4 2,-0.4 -0.994 26.7-136.8-146.4 154.1 8.2 -20.3 0.9 62 68 A R E -c 31 0B 44 -2,-0.3 -30,-0.2 -32,-0.2 -32,-0.0 -0.856 11.2-161.9-101.9 150.2 7.1 -17.7 -1.5 63 69 A V E -c 32 0B 2 -32,-2.7 -30,-2.0 -2,-0.4 2,-0.1 -0.993 19.9-131.8-126.6 121.3 9.5 -15.8 -3.8 64 70 A P E -c 33 0B 5 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 -0.419 17.7-144.2 -74.2 152.5 8.2 -12.5 -5.3 65 71 A V - 0 0 3 -32,-2.0 2,-0.5 -2,-0.1 -30,-0.1 -0.959 15.7-173.3-122.5 129.9 8.6 -11.9 -9.1 66 72 A A + 0 0 30 -2,-0.4 6,-0.1 1,-0.1 -32,-0.0 -0.884 3.9 178.7-120.4 97.5 9.4 -8.6 -10.8 67 73 A F S S+ 0 0 93 -2,-0.5 2,-0.3 4,-0.1 -1,-0.1 0.614 72.7 28.1 -74.3 -13.6 9.1 -9.1 -14.5 68 74 A R S > S- 0 0 142 -3,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.968 86.6-108.2-143.0 160.0 9.9 -5.4 -15.1 69 75 A D G > S+ 0 0 144 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.829 114.3 64.4 -56.1 -39.6 11.9 -2.6 -13.3 70 76 A D G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.704 102.6 48.8 -56.8 -26.2 8.6 -0.9 -12.4 71 77 A F G X> S+ 0 0 24 -3,-1.8 3,-1.8 1,-0.2 4,-0.9 0.425 78.9 96.0-100.0 1.4 7.6 -3.8 -10.2 72 78 A V H X> S+ 0 0 43 -3,-1.5 4,-2.2 -4,-0.3 3,-1.1 0.900 76.6 66.3 -57.0 -35.5 10.9 -4.2 -8.3 73 79 A P H 3> S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.789 94.7 59.3 -58.1 -23.4 9.3 -2.2 -5.5 74 80 A H H <> S+ 0 0 2 -3,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.806 104.8 47.6 -72.7 -28.2 6.9 -5.1 -5.1 75 81 A S H S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 4,-0.7 0.943 112.7 47.0 -60.5 -44.9 7.0 -6.9 5.3 82 88 A A H ><5S+ 0 0 50 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.907 108.7 55.3 -63.6 -39.4 8.9 -10.1 6.3 83 89 A A H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.0 45.9 -60.4 -35.3 11.7 -8.1 7.9 84 90 A L H 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.563 110.9-123.2 -84.7 -8.3 9.1 -6.3 10.1 85 91 A G T <<5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.7 4,-0.1 0.737 82.9 108.7 75.4 23.1 7.4 -9.6 10.9 86 92 A V >< + 0 0 36 -5,-2.1 4,-2.4 -6,-0.2 5,-0.3 0.268 33.2 107.8-116.9 12.8 4.0 -8.4 9.6 87 93 A S H > S+ 0 0 18 -6,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.906 79.8 51.2 -58.7 -44.1 3.5 -10.3 6.4 88 94 A E H 4 S+ 0 0 152 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.908 114.8 43.7 -63.5 -41.6 0.8 -12.6 7.9 89 95 A K H 4 S+ 0 0 158 1,-0.2 4,-0.3 -4,-0.1 -1,-0.2 0.914 123.5 27.3 -72.9 -45.4 -1.2 -9.6 9.1 90 96 A V H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.1 3,-0.2 0.608 92.7 88.7-102.7 -11.7 -1.1 -7.1 6.3 91 97 A T H X S+ 0 0 20 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.903 86.3 54.3 -59.5 -43.5 -0.7 -9.1 3.1 92 98 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.938 109.5 49.9 -54.1 -43.2 -4.5 -9.7 2.5 93 99 A A H > S+ 0 0 21 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.839 108.5 53.2 -65.1 -33.5 -4.9 -5.9 2.7 94 100 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.950 110.1 46.3 -64.4 -50.1 -2.0 -5.4 0.2 95 101 A F H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.918 113.4 51.0 -57.2 -42.2 -3.6 -7.8 -2.3 96 102 A N H X>S+ 0 0 64 -4,-2.4 4,-2.5 -5,-0.3 5,-2.0 0.901 105.0 54.9 -65.8 -39.7 -6.9 -6.0 -1.8 97 103 A A H <5S+ 0 0 0 -4,-2.3 6,-3.1 3,-0.2 -1,-0.2 0.920 116.1 39.0 -57.1 -44.8 -5.4 -2.5 -2.3 98 104 A I H <5S+ 0 0 0 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.955 125.3 33.2 -74.0 -49.5 -4.1 -3.6 -5.7 99 105 A H H <5S+ 0 0 20 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.777 133.5 20.6 -86.1 -28.2 -6.9 -5.8 -7.0 100 106 A K T <5S+ 0 0 134 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.784 130.2 38.2-107.6 -39.6 -10.0 -4.1 -5.6 101 107 A E S S- 0 0 69 1,-0.1 4,-2.4 -34,-0.1 5,-0.2 -0.946 82.0-116.7-134.0 155.0 6.5 3.4 -4.9 108 114 A P H > S+ 0 0 41 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.897 117.3 52.2 -56.8 -38.3 7.9 3.2 -1.3 109 115 A Q H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 109.1 48.4 -67.8 -36.3 5.9 6.3 -0.4 110 116 A A H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 114.4 47.4 -68.8 -36.3 2.7 4.8 -1.7 111 117 A Q H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.941 112.7 47.3 -68.3 -46.6 3.4 1.6 0.3 112 118 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.920 112.1 50.5 -59.6 -47.2 4.3 3.4 3.5 113 119 A D H X S+ 0 0 70 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.953 115.8 42.5 -58.5 -47.2 1.2 5.6 3.3 114 120 A F H >X S+ 0 0 19 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.939 112.8 50.5 -64.7 -49.6 -1.0 2.6 2.7 115 121 A L H ><>S+ 0 0 1 -4,-3.2 5,-2.4 1,-0.3 3,-0.9 0.787 99.9 67.2 -63.5 -24.5 0.6 0.4 5.3 116 122 A A H ><5S+ 0 0 39 -4,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.847 95.8 55.2 -61.6 -31.6 0.2 3.2 7.8 117 123 A T H <<5S+ 0 0 99 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.677 105.6 54.2 -75.9 -12.6 -3.5 2.7 7.6 118 124 A Q T <<5S- 0 0 72 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.219 128.6 -96.0-105.1 13.0 -2.9 -0.9 8.5 119 125 A G T < 5S+ 0 0 71 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.542 79.2 136.4 92.6 7.9 -0.9 -0.0 11.7 120 126 A V < - 0 0 16 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.765 58.3-118.9 -90.0 129.8 2.6 -0.2 10.3 121 127 A D > - 0 0 86 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.479 17.6-140.8 -64.3 131.6 4.9 2.7 11.3 122 128 A K H > S+ 0 0 95 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 98.4 48.5 -61.5 -44.4 6.1 4.6 8.2 123 129 A K H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 112.4 48.7 -67.7 -42.3 9.7 5.2 9.3 124 130 A K H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 113.4 48.2 -61.8 -43.5 10.1 1.5 10.3 125 131 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.947 112.5 46.0 -60.8 -50.1 8.7 0.4 7.0 126 132 A L H X S+ 0 0 37 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 110.3 54.5 -63.2 -37.5 10.8 2.7 4.8 127 133 A D H < S+ 0 0 86 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.908 112.8 44.3 -64.0 -39.9 14.0 1.8 6.8 128 134 A A H >< S+ 0 0 11 -4,-2.0 3,-1.6 -5,-0.2 6,-0.3 0.951 111.6 51.8 -63.7 -50.6 13.2 -1.8 6.0 129 135 A Y H 3< S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 116.8 40.7 -53.6 -39.6 12.4 -1.1 2.4 130 136 A N T 3< S+ 0 0 107 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.383 91.5 123.9 -92.6 4.0 15.7 0.7 2.0 131 137 A S <> - 0 0 31 -3,-1.6 4,-2.3 -4,-0.3 5,-0.1 -0.224 67.3-128.8 -72.8 153.6 17.8 -1.8 4.0 132 138 A F H > S+ 0 0 196 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 110.3 55.2 -64.9 -36.8 20.9 -3.5 2.7 133 139 A S H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 108.6 45.3 -64.8 -47.7 19.4 -6.8 3.9 134 140 A V H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.914 110.9 54.8 -63.0 -39.2 16.2 -6.3 1.9 135 141 A Q H X S+ 0 0 69 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.929 107.3 51.1 -58.2 -43.8 18.2 -5.2 -1.1 136 142 A G H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.886 109.8 48.9 -59.7 -42.1 20.2 -8.5 -0.9 137 143 A Q H X S+ 0 0 69 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.880 110.2 50.9 -67.9 -37.1 17.0 -10.6 -0.8 138 144 A V H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.941 111.3 46.9 -65.6 -44.8 15.5 -8.8 -3.8 139 145 A K H X S+ 0 0 129 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.929 113.0 52.4 -62.7 -38.8 18.7 -9.3 -5.9 140 146 A Q H X S+ 0 0 100 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.918 105.1 53.0 -61.5 -43.3 18.6 -12.9 -4.7 141 147 A S H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.854 106.8 53.6 -61.2 -35.3 14.9 -13.3 -5.8 142 148 A A H X S+ 0 0 51 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.866 107.7 49.4 -67.3 -36.3 15.9 -12.1 -9.3 143 149 A E H X S+ 0 0 115 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.890 108.6 54.5 -68.6 -38.4 18.7 -14.8 -9.5 144 150 A L H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 100.8 59.4 -63.5 -40.6 16.2 -17.5 -8.4 145 151 A L H <>S+ 0 0 36 -4,-2.0 5,-2.4 1,-0.2 -1,-0.2 0.914 112.4 39.7 -49.4 -46.6 13.9 -16.5 -11.2 146 152 A K H ><5S+ 0 0 160 -4,-1.3 3,-1.4 3,-0.2 -2,-0.2 0.916 112.4 54.8 -71.0 -43.8 16.7 -17.3 -13.6 147 153 A N H 3<5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.823 116.1 38.0 -62.9 -34.3 17.8 -20.5 -11.7 148 154 A Y T 3<5S- 0 0 9 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.280 107.6-124.6 -97.2 8.4 14.4 -22.0 -11.8 149 155 A N T < 5 - 0 0 92 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.902 42.7-179.9 45.1 53.1 13.6 -20.7 -15.4 150 156 A I < + 0 0 11 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.728 20.4 159.1 -86.4 125.5 10.4 -19.0 -14.2 151 157 A D + 0 0 140 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.201 62.3 30.3-133.2 16.1 8.4 -17.2 -17.0 152 158 A G S S- 0 0 21 -120,-0.0 -1,-0.2 -119,-0.0 -120,-0.1 -0.959 81.1 -89.5-161.5 160.5 4.9 -16.9 -15.5 153 159 A V S S+ 0 0 29 -2,-0.3 -114,-0.2 1,-0.2 -120,-0.2 -0.945 93.4 33.0-130.1 151.6 3.2 -16.6 -12.1 154 160 A P S S+ 0 0 3 0, 0.0 2,-0.4 0, 0.0 13,-0.4 0.603 74.1 167.6 -76.7 145.1 2.1 -18.3 -10.1 155 161 A T E -D 32 0B 8 -123,-2.1 -123,-3.0 10,-0.1 2,-0.4 -0.993 18.9-156.8-120.8 130.6 4.6 -21.1 -10.5 156 162 A I E -DE 31 164B 1 8,-2.8 8,-2.5 -2,-0.4 2,-0.4 -0.900 6.1-164.1-104.2 131.5 4.9 -23.8 -7.9 157 163 A V E -DE 30 163B 0 -127,-2.6 -127,-2.6 -2,-0.4 2,-0.5 -0.978 2.9-158.0-118.9 131.1 8.1 -25.8 -7.6 158 164 A V E >> S-DE 29 162B 0 4,-3.0 3,-2.2 -2,-0.4 4,-2.1 -0.923 71.1 -18.4-111.8 123.0 8.3 -29.1 -5.7 159 165 A Q T 34 S- 0 0 57 -131,-2.8 -1,-0.2 -2,-0.5 -130,-0.1 0.777 112.1 -74.3 59.5 31.3 11.6 -30.5 -4.3 160 166 A G T 34 S+ 0 0 0 -132,-0.2 -142,-2.3 2,-0.2 -1,-0.3 0.588 130.1 68.3 62.3 14.8 13.6 -28.2 -6.6 161 167 A K T <4 S+ 0 0 74 -3,-2.2 -147,-3.2 1,-0.2 2,-0.5 0.621 81.8 61.3-136.8 -23.5 12.7 -30.4 -9.6 162 168 A Y E < -BE 13 158B 6 -4,-2.1 -4,-3.0 -149,-0.2 2,-0.4 -0.950 57.0-167.0-121.1 129.0 9.0 -30.3 -10.6 163 169 A K E +BE 12 157B 6 -151,-2.4 -151,-2.4 -2,-0.5 2,-0.3 -0.899 15.2 155.1-116.7 138.3 7.2 -27.2 -11.8 164 170 A T E + E 0 156B 0 -8,-2.5 -8,-2.8 -2,-0.4 -153,-0.1 -0.856 4.8 134.9-145.3-176.1 3.5 -26.6 -12.2 165 171 A G S >> S- 0 0 1 -155,-0.4 4,-2.1 -2,-0.3 3,-1.9 -0.843 71.2 -62.1 150.5 174.7 1.0 -23.7 -12.2 166 172 A P H 3> S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 -11,-0.1 0.754 125.0 68.0 -65.8 -20.0 -2.0 -22.6 -14.3 167 173 A A H 34 S+ 0 0 90 -13,-0.4 -12,-0.1 1,-0.2 4,-0.0 0.833 112.7 33.4 -62.5 -29.6 0.2 -22.1 -17.3 168 174 A Y H <4 S+ 0 0 46 -3,-1.9 -1,-0.2 -158,-0.2 -157,-0.1 0.834 131.9 28.9 -90.1 -40.3 0.5 -26.0 -17.2 169 175 A T H < S- 0 0 15 -4,-2.1 2,-1.2 2,-0.1 -2,-0.2 0.543 87.8-136.9-102.8 -9.9 -2.9 -27.0 -15.9 170 176 A N S < S+ 0 0 132 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.1 -0.328 79.6 66.6 73.6 -44.9 -5.2 -24.2 -17.1 171 177 A S S > S- 0 0 55 -2,-1.2 4,-1.6 1,-0.1 -2,-0.1 -0.696 74.9-135.5-112.7 156.1 -7.0 -24.0 -13.8 172 178 A L H > S+ 0 0 24 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.897 110.7 54.5 -72.3 -38.3 -6.0 -23.0 -10.3 173 179 A E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 107.8 50.6 -58.5 -44.5 -7.8 -26.1 -8.9 174 180 A G H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 105.9 55.8 -60.9 -37.0 -5.7 -28.2 -11.3 175 181 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.942 109.2 46.2 -59.7 -47.0 -2.6 -26.5 -10.0 176 182 A A H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.891 111.6 51.7 -63.0 -41.8 -3.5 -27.5 -6.4 177 183 A Q H X S+ 0 0 117 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.935 111.7 46.4 -59.9 -46.2 -4.2 -31.1 -7.5 178 184 A V H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.936 112.1 51.3 -64.9 -43.4 -0.9 -31.4 -9.3 179 185 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.934 110.0 48.6 -56.2 -47.9 1.0 -29.9 -6.3 180 186 A D H X S+ 0 0 50 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.918 112.8 49.1 -62.3 -41.9 -0.6 -32.3 -3.9 181 187 A F H X S+ 0 0 50 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 110.3 49.9 -60.0 -50.9 0.2 -35.2 -6.2 182 188 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.919 109.6 50.7 -58.6 -46.8 3.9 -34.2 -6.6 183 189 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.930 112.0 47.3 -60.3 -44.5 4.4 -33.9 -2.9 184 190 A K H X S+ 0 0 88 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.912 111.1 50.9 -64.7 -39.4 3.0 -37.3 -2.2 185 191 A Q H <>S+ 0 0 43 -4,-2.6 5,-3.0 2,-0.2 6,-1.4 0.878 110.8 49.3 -64.1 -35.7 5.0 -38.9 -4.9 186 192 A V H ><5S+ 0 0 17 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.929 110.6 50.3 -70.1 -40.8 8.2 -37.3 -3.5 187 193 A Q H 3<5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.874 110.4 50.1 -61.0 -37.9 7.2 -38.6 -0.1 188 194 A D T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.331 114.0-119.3 -83.7 5.6 6.7 -42.1 -1.5 189 195 A K T < 5S+ 0 0 194 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.821 84.8 117.1 57.2 32.7 10.1 -41.9 -3.2 190 196 A K < 0 0 134 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 0.598 360.0 360.0 -97.9 -19.5 8.4 -42.3 -6.6 191 197 A L 0 0 74 -6,-1.4 -2,-0.2 -9,-0.1 -1,-0.1 -0.916 360.0 360.0-137.7 360.0 9.7 -38.8 -7.7