==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-12 4FUS . COMPND 2 MOLECULE: RTX TOXINS AND RELATED CA2+-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAHELLA CHEJUENSIS; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 635 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 24 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 1 0 2 0 0 1 0 2 2 3 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 11 6 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 2 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 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 33 A S > 0 0 102 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 158.1 61.7 31.3 23.0 2 34 A A H > + 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 360.0 58.2 -63.0 -47.6 58.4 33.3 23.1 3 35 A E H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 103.7 51.9 -58.9 -34.9 56.8 30.6 21.0 4 36 A E H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 112.6 43.8 -67.3 -46.6 57.6 27.8 23.6 5 37 A Y H X S+ 0 0 9 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.907 112.9 52.9 -67.5 -36.8 56.0 29.8 26.5 6 38 A N H X S+ 0 0 40 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.859 107.2 52.0 -64.7 -35.5 53.1 30.7 24.3 7 39 A E H X S+ 0 0 83 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.826 106.2 53.9 -64.6 -37.5 52.7 27.0 23.5 8 40 A R H X S+ 0 0 29 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.936 110.6 47.1 -63.1 -44.8 52.6 26.2 27.3 9 41 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.935 112.5 48.9 -58.7 -46.3 49.8 28.8 27.7 10 42 A M H X S+ 0 0 51 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.893 109.2 51.7 -64.4 -41.5 47.9 27.4 24.8 11 43 A E H X S+ 0 0 85 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.927 114.2 45.1 -58.4 -46.8 48.3 23.8 26.1 12 44 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 110.9 52.2 -62.3 -47.6 46.9 25.0 29.4 13 45 A W H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.919 109.6 51.1 -56.1 -47.1 44.1 27.0 27.7 14 46 A N H X S+ 0 0 83 -4,-3.1 4,-0.8 2,-0.2 -1,-0.2 0.896 109.3 49.9 -55.0 -42.2 43.2 23.8 25.8 15 47 A K H >< S+ 0 0 51 -4,-1.8 3,-0.7 1,-0.2 6,-0.2 0.923 110.9 49.3 -63.8 -40.9 43.0 21.8 29.0 16 48 A I H 3< S+ 0 0 1 -4,-2.6 7,-0.4 1,-0.2 -1,-0.2 0.845 116.0 42.4 -69.6 -32.0 40.8 24.4 30.7 17 49 A H H 3< S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.431 86.2 104.2 -97.6 -3.8 38.4 24.5 27.8 18 50 A D X< - 0 0 72 -4,-0.8 3,-2.6 -3,-0.7 4,-0.4 -0.713 67.1-146.0 -76.9 114.7 38.3 20.8 27.1 19 51 A P G > S+ 0 0 118 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.803 94.0 71.3 -56.9 -22.2 34.9 19.7 28.5 20 52 A A G 3 S+ 0 0 81 1,-0.3 -5,-0.1 2,-0.1 -3,-0.0 0.724 93.5 57.4 -64.1 -20.6 36.4 16.3 29.6 21 53 A N G < S- 0 0 20 -3,-2.6 -1,-0.3 -6,-0.2 -6,-0.0 0.577 100.7-135.7 -94.1 -8.6 38.3 18.2 32.3 22 54 A G < + 0 0 27 -3,-1.4 -2,-0.1 -4,-0.4 11,-0.1 0.753 56.3 136.7 74.1 24.4 35.3 19.7 34.0 23 55 A Y + 0 0 3 -5,-0.4 8,-3.0 -7,-0.4 2,-0.3 0.696 64.6 53.1 -72.7 -27.8 36.3 23.3 34.6 24 56 A F B S-A 30 0A 50 6,-0.3 -2,-0.0 -5,-0.1 22,-0.0 -0.892 79.4-123.1-115.0 149.0 33.0 24.8 33.5 25 57 A S > - 0 0 11 4,-2.8 3,-2.2 -2,-0.3 128,-0.1 -0.145 42.2 -90.3 -76.1 177.1 29.3 24.1 34.6 26 58 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 126,-0.2 127,-0.1 0.741 129.1 55.2 -61.9 -27.8 26.4 23.1 32.3 27 59 A D T 3 S- 0 0 51 125,-0.2 -1,-0.3 2,-0.1 56,-0.0 0.341 120.0-108.1 -88.8 2.6 25.8 26.8 31.9 28 60 A G S < S+ 0 0 23 -3,-2.2 -2,-0.1 1,-0.3 51,-0.1 0.699 76.8 127.4 83.5 19.9 29.3 27.6 30.7 29 61 A G - 0 0 0 123,-0.1 -4,-2.8 50,-0.1 -1,-0.3 -0.792 64.2-102.2-105.8 146.8 30.5 29.4 33.8 30 62 A P B -A 24 0A 0 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.459 29.2-136.6 -65.7 139.9 33.7 28.5 35.6 31 63 A Y - 0 0 21 -8,-3.0 586,-0.4 -2,-0.1 17,-0.3 -0.591 24.1-113.7 -77.5 162.0 33.6 26.5 38.7 32 64 A H S S- 0 0 5 15,-2.9 585,-1.8 13,-0.6 586,-0.5 0.888 96.9 -9.9 -52.6 -51.2 35.7 27.3 41.7 33 65 A S B -B 616 0B 1 12,-1.9 583,-0.3 14,-0.3 -1,-0.2 -0.986 62.1-119.3-145.5 155.9 37.6 24.1 41.1 34 66 A V S S+ 0 0 20 581,-2.3 2,-0.2 -2,-0.3 -1,-0.1 0.936 99.1 71.2 -59.8 -45.2 37.3 20.9 39.0 35 67 A E S S- 0 0 30 580,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.463 74.6-148.4 -76.7 139.6 37.1 18.8 42.2 36 68 A T S S+ 0 0 33 9,-0.2 9,-2.6 -2,-0.2 2,-1.0 0.832 77.8 73.6 -82.1 -37.1 33.9 19.1 44.3 37 69 A L + 0 0 0 7,-0.2 2,-0.3 8,-0.1 -1,-0.1 -0.733 64.3 118.3 -87.3 100.2 35.2 18.6 47.8 38 70 A I - 0 0 0 -2,-1.0 2,-0.4 5,-0.2 -5,-0.0 -0.935 36.7-170.0-164.3 134.8 37.1 21.7 48.8 39 71 A V + 0 0 0 -2,-0.3 4,-0.2 1,-0.1 144,-0.1 -0.985 42.2 104.0-142.0 114.6 36.4 24.1 51.6 40 72 A E S S- 0 0 60 2,-2.6 142,-0.2 -2,-0.4 3,-0.2 0.375 99.6 -18.4-159.4 -43.9 38.3 27.5 51.9 41 73 A A S S+ 0 0 45 1,-1.2 2,-0.1 141,-0.1 -2,-0.0 0.279 140.2 39.9-142.8 -64.8 36.3 30.5 50.9 42 74 A P S S- 0 0 2 0, 0.0 -2,-2.6 0, 0.0 -1,-1.2 -0.464 84.9-139.9 -67.0 167.8 33.6 28.9 48.9 43 75 A D S S+ 0 0 1 -4,-0.2 2,-0.3 1,-0.2 -5,-0.2 0.281 81.3 38.1-112.5 12.2 32.5 25.7 50.7 44 76 A H S > S- 0 0 11 -7,-0.1 3,-1.2 1,-0.0 -7,-0.2 -0.948 77.1-128.4-153.8 143.5 32.1 23.4 47.6 45 77 A G T 3 S+ 0 0 0 -9,-2.6 -12,-1.9 -2,-0.3 -13,-0.6 0.739 106.5 61.4 -72.2 -15.1 34.2 23.3 44.4 46 78 A H T 3 S+ 0 0 21 -10,-0.4 106,-1.6 -15,-0.2 107,-0.5 0.365 84.2 92.8-101.7 16.2 31.1 23.6 42.3 47 79 A E E < -C 151 0C 0 -3,-1.2 -15,-2.9 104,-0.2 -14,-0.3 -0.307 68.7-150.1 -69.1 169.7 30.3 26.9 43.7 48 80 A S E -C 150 0C 0 102,-2.0 102,-2.6 -17,-0.3 2,-0.3 -0.901 6.3-151.3-139.4 169.6 31.7 29.8 41.8 49 81 A T E > -C 149 0C 4 -2,-0.3 4,-2.1 100,-0.2 100,-0.2 -0.943 32.9-113.9-139.4 157.7 32.9 33.3 42.7 50 82 A S H > S+ 0 0 1 98,-1.4 4,-2.1 -2,-0.3 5,-0.2 0.848 120.0 61.7 -61.5 -33.5 33.2 36.7 41.2 51 83 A E H > S+ 0 0 33 97,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.942 102.9 49.1 -51.1 -52.8 37.0 36.0 41.6 52 84 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.899 110.5 51.0 -55.8 -47.5 36.6 33.0 39.2 53 85 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 108.2 51.4 -59.3 -38.9 34.7 35.2 36.8 54 86 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.862 111.2 48.1 -65.3 -40.0 37.4 37.9 36.9 55 87 A Y H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.811 105.5 58.2 -67.3 -30.1 40.0 35.2 36.2 56 88 A F H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.943 105.9 49.9 -64.8 -43.4 37.9 33.9 33.3 57 89 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.939 111.0 49.1 -57.9 -50.0 38.1 37.3 31.8 58 90 A L H X S+ 0 0 21 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.930 110.2 52.4 -51.8 -47.6 42.0 37.2 32.3 59 91 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.893 114.2 39.9 -59.9 -47.3 42.2 33.8 30.7 60 92 A E H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 13,-0.5 0.743 110.6 59.1 -78.7 -25.5 40.3 34.8 27.5 61 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.941 108.5 46.1 -66.3 -44.7 42.1 38.3 27.4 62 94 A Y H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.881 109.1 55.1 -66.5 -31.9 45.4 36.4 27.1 63 95 A Y H X S+ 0 0 30 -4,-1.6 4,-2.6 -5,-0.2 6,-0.5 0.930 109.0 48.2 -64.6 -44.5 43.9 34.1 24.5 64 96 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 111.0 51.1 -49.5 -51.3 43.0 37.2 22.5 65 97 A K H < S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.2 39.7 -56.0 -48.4 46.5 38.6 23.0 66 98 A V H < S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.860 130.6 22.9 -76.8 -38.7 48.2 35.3 21.8 67 99 A T H < S- 0 0 58 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.616 92.3-120.0-109.3 -15.8 45.8 34.4 18.9 68 100 A G S < S+ 0 0 19 -4,-2.8 2,-0.8 -5,-0.3 -4,-0.2 0.283 74.5 123.6 85.7 -7.9 44.0 37.6 17.7 69 101 A D + 0 0 56 -6,-0.5 3,-0.5 1,-0.1 4,-0.2 -0.803 31.2 172.8 -97.0 106.2 40.6 36.0 18.5 70 102 A W > + 0 0 1 -2,-0.8 4,-2.0 1,-0.2 -1,-0.1 0.318 57.0 94.9 -92.0 1.8 38.6 38.3 21.0 71 103 A S H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.778 79.0 57.5 -67.7 -27.5 35.5 36.2 20.8 72 104 A K H > S+ 0 0 67 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.899 107.4 48.1 -69.6 -42.3 36.5 34.3 23.9 73 105 A L H > S+ 0 0 0 -13,-0.5 4,-2.1 -4,-0.2 5,-0.3 0.892 109.2 52.6 -61.2 -43.3 36.6 37.5 25.8 74 106 A R H X S+ 0 0 98 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.930 111.2 49.0 -55.0 -42.3 33.3 38.6 24.5 75 107 A N H X S+ 0 0 74 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.880 108.6 51.7 -65.8 -43.2 31.9 35.3 25.6 76 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.871 110.3 47.5 -64.2 -44.3 33.4 35.6 29.1 77 109 A W H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.923 112.9 50.1 -61.4 -42.5 31.9 39.1 29.7 78 110 A A H X S+ 0 0 33 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.939 110.0 50.0 -64.4 -40.4 28.5 37.9 28.5 79 111 A K H X S+ 0 0 47 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.923 109.8 52.1 -64.8 -41.6 28.7 34.9 30.8 80 112 A M H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.9 0.968 112.4 44.4 -54.6 -55.3 29.6 37.2 33.7 81 113 A E H X5S+ 0 0 47 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.912 116.2 47.0 -60.7 -41.9 26.6 39.5 33.0 82 114 A E H <5S+ 0 0 116 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 124.8 27.6 -65.7 -36.2 24.3 36.6 32.5 83 115 A H H <5S+ 0 0 16 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.800 128.4 22.7 -97.7 -38.9 25.3 34.7 35.6 84 116 A I H <5S+ 0 0 0 -4,-2.8 63,-3.0 -5,-0.3 -3,-0.2 0.441 98.5 76.8-125.2 -10.6 26.6 36.9 38.3 85 117 A I S <> - 0 0 59 -5,-0.1 4,-1.2 1,-0.1 3,-0.5 -0.275 32.4 -95.9 -66.8 168.6 19.1 41.3 36.5 88 120 A Q G >4 S+ 0 0 129 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.911 128.3 55.1 -52.3 -46.6 16.4 43.9 37.3 89 121 A E G 34 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.811 108.9 48.4 -58.2 -31.0 14.0 41.1 38.1 90 122 A M G <4 S+ 0 0 18 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.647 121.0 34.1 -87.9 -15.6 16.6 39.8 40.6 91 123 A Q S X< S+ 0 0 3 -4,-1.2 3,-0.7 -3,-0.7 -1,-0.2 -0.574 80.4 156.0-129.9 68.3 17.1 43.2 42.3 92 124 A P T 3 + 0 0 52 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.599 58.4 48.7 -85.1 -8.1 13.5 44.5 41.9 93 125 A T T > + 0 0 11 1,-0.2 3,-2.3 2,-0.1 212,-0.2 0.012 55.2 121.2-130.6 30.8 13.2 47.1 44.6 94 126 A N G X + 0 0 1 -3,-0.7 3,-2.2 1,-0.3 -1,-0.2 0.733 68.3 78.6 -62.0 -19.1 16.1 49.5 44.5 95 127 A N G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.2 218,-0.1 0.618 84.9 62.6 -62.0 -19.1 13.4 52.2 44.0 96 128 A F G < S+ 0 0 51 -3,-2.3 217,-0.5 216,-0.2 -1,-0.3 0.535 81.2 115.2 -75.6 -13.7 12.9 51.8 47.8 97 129 A Y < - 0 0 12 -3,-2.2 217,-0.1 215,-0.2 3,-0.1 -0.413 46.8-167.0 -70.8 139.0 16.4 53.0 48.4 98 130 A N > - 0 0 74 215,-0.5 3,-2.1 3,-0.4 30,-0.1 -0.932 8.1-162.7-125.1 100.3 17.0 56.3 50.3 99 131 A P T 3 S+ 0 0 22 0, 0.0 29,-3.1 0, 0.0 -1,-0.1 0.718 90.8 62.0 -61.6 -19.4 20.6 57.5 50.0 100 132 A S T 3 S+ 0 0 71 1,-0.3 25,-0.1 27,-0.2 -3,-0.0 0.712 119.1 25.4 -74.3 -21.2 20.0 59.8 52.9 101 133 A K S < S+ 0 0 150 -3,-2.1 -3,-0.4 1,-0.1 -1,-0.3 -0.647 78.7 171.4-138.8 77.6 19.3 56.9 55.1 102 134 A P - 0 0 0 0, 0.0 213,-1.7 0, 0.0 2,-0.3 0.727 57.9 -22.3 -67.3 -24.6 21.2 54.0 53.5 103 135 A A - 0 0 15 211,-0.2 2,-0.4 23,-0.2 22,-0.1 -0.943 62.5 -99.1-167.2 176.0 20.8 51.3 56.1 104 136 A S - 0 0 54 -2,-0.3 17,-0.1 20,-0.0 2,-0.1 -0.982 42.9-113.3-119.9 135.2 20.1 50.5 59.7 105 137 A Y + 0 0 2 15,-0.5 15,-3.5 18,-0.5 2,-0.3 -0.295 33.8 171.7 -69.6 134.6 23.0 49.7 62.1 106 138 A A - 0 0 11 13,-0.2 13,-0.1 276,-0.1 11,-0.0 -0.968 33.0-118.0-134.1 141.4 23.7 46.3 63.7 107 139 A A - 0 0 9 11,-0.5 2,-0.3 -2,-0.3 276,-0.2 -0.273 19.9-128.6 -68.7 154.6 26.8 45.6 65.6 108 140 A E - 0 0 32 274,-2.5 2,-0.3 273,-0.2 -1,-0.1 -0.714 26.9-141.4 -92.7 160.2 29.3 43.0 64.6 109 141 A H - 0 0 65 -2,-0.3 70,-0.4 1,-0.1 69,-0.4 -0.931 19.1-124.5-128.9 157.2 30.3 40.4 67.3 110 142 A A S S+ 0 0 43 -2,-0.3 -1,-0.1 67,-0.1 272,-0.0 0.627 97.8 29.0 -79.5 -15.4 33.5 38.7 68.2 111 143 A Q S > S- 0 0 102 67,-0.1 3,-2.3 68,-0.1 4,-0.1 -0.983 81.8-116.2-136.9 150.6 31.9 35.1 67.9 112 144 A P G > S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 65,-0.1 0.786 113.0 72.1 -54.7 -24.8 29.0 33.7 65.7 113 145 A S G 3 S+ 0 0 69 1,-0.3 -3,-0.0 451,-0.1 451,-0.0 0.703 83.3 71.6 -65.6 -15.3 27.2 33.1 69.1 114 146 A G G < S+ 0 0 27 -3,-2.3 -1,-0.3 62,-0.2 -4,-0.1 0.514 89.3 128.6 -64.5 -11.2 26.8 37.0 69.2 115 147 A Y < + 0 0 15 -3,-1.9 2,-0.2 -4,-0.1 91,-0.1 -0.761 30.8 57.6-114.5 150.5 24.3 36.7 66.4 116 148 A P S S- 0 0 23 0, 0.0 2,-0.4 0, 0.0 91,-0.3 0.368 83.2-146.2 -68.6 144.1 21.6 37.4 65.4 117 149 A S E -e 207 0D 4 89,-2.8 91,-2.9 -2,-0.2 2,-0.2 -0.732 15.4-113.0 -91.6 136.2 22.6 41.0 65.9 118 150 A Q E -e 208 0D 86 -2,-0.4 -11,-0.5 89,-0.2 2,-0.4 -0.449 23.3-126.2 -68.8 130.6 20.0 43.5 67.0 119 151 A L - 0 0 29 89,-2.2 2,-0.7 -2,-0.2 -13,-0.2 -0.678 22.6-154.0 -77.3 129.3 19.1 46.2 64.5 120 152 A E > - 0 0 48 -15,-3.5 3,-1.9 -2,-0.4 -15,-0.5 -0.815 16.3-179.1-111.2 92.9 19.5 49.6 66.3 121 153 A F T 3 S+ 0 0 132 -2,-0.7 -1,-0.1 1,-0.3 -15,-0.0 0.631 79.3 62.7 -69.4 -12.9 17.3 52.1 64.7 122 154 A G T 3 S+ 0 0 71 -17,-0.1 -1,-0.3 2,-0.1 -18,-0.0 0.367 81.1 96.4 -88.1 5.9 18.5 54.9 67.1 123 155 A V S < S- 0 0 11 -3,-1.9 -18,-0.5 -18,-0.1 159,-0.1 -0.846 79.5-121.3-100.3 125.8 22.1 54.7 65.7 124 156 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 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19.8 49.3 51.9 315 347 A R E -I 302 0F 3 -213,-1.7 2,-0.3 -2,-0.3 -13,-0.2 -0.979 12.0-179.9-139.9 142.6 23.4 49.7 50.9 316 348 A I E -I 301 0F 21 -15,-2.4 -15,-2.3 -2,-0.3 -45,-0.2 -0.986 12.8-160.1-136.3 149.5 26.5 49.4 53.0 317 349 A G - 0 0 0 -46,-1.0 2,-0.3 -47,-0.7 -47,-0.2 0.126 36.8 -98.7 -91.9-146.9 30.2 49.8 52.3 318 350 A S - 0 0 0 -49,-1.9 -21,-0.1 -51,-0.3 -18,-0.0 -0.985 13.0-156.3-142.8 148.3 32.8 48.1 54.7 319 351 A S S S+ 0 0 1 -2,-0.3 59,-1.9 -49,-0.2 2,-0.4 0.644 77.8 83.7 -99.2 -5.7 34.8 49.6 57.5 320 352 A X E -N 377 0J 14 57,-0.2 -22,-2.4 58,-0.1 2,-0.5 -0.739 59.0-172.6-103.4 138.7 37.5 46.8 57.2 321 353 A V E -N 376 0J 0 55,-2.9 55,-2.3 -2,-0.4 2,-0.4 -0.957 3.7-166.2-133.8 119.2 40.3 47.3 54.5 322 354 A H E > -N 375 0J 1 -26,-0.5 3,-1.9 -2,-0.5 4,-0.4 -0.885 23.7-135.7 -99.7 137.3 42.8 44.6 53.6 323 355 A F G > S+ 0 0 3 51,-3.7 3,-1.6 -2,-0.4 52,-0.1 0.845 99.9 71.7 -57.5 -29.8 45.9 45.5 51.6 324 356 A G G 3 S+ 0 0 0 50,-0.4 -1,-0.3 1,-0.3 51,-0.1 0.590 93.7 54.7 -65.1 -12.9 45.3 42.3 49.5 325 357 A Y G < S+ 0 0 15 -3,-1.9 -1,-0.3 -29,-0.2 -2,-0.2 0.579 81.2 113.8 -92.4 -16.3 42.3 43.9 47.8 326 358 A Q < - 0 0 3 -3,-1.6 99,-0.1 -4,-0.4 -31,-0.1 -0.192 41.2-174.1 -68.1 151.2 44.0 47.1 46.5 327 359 A N > + 0 0 5 1,-0.1 4,-2.2 98,-0.1 5,-0.2 -0.679 18.1 176.0-149.4 88.3 44.4 47.6 42.9 328 360 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.847 86.3 60.4 -64.3 -23.3 46.4 50.6 41.5 329 361 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.964 107.4 42.9 -68.0 -47.4 45.9 49.3 38.0 330 362 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.944 116.5 48.6 -62.7 -42.5 42.1 49.5 38.2 331 363 A A H X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.883 112.0 47.3 -67.5 -39.3 42.3 52.9 39.9 332 364 A M H X S+ 0 0 8 -4,-2.4 4,-2.1 -5,-0.2 5,-0.5 0.905 114.5 48.7 -67.1 -40.9 44.7 54.3 37.3 333 365 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 7,-0.3 0.950 112.8 46.4 -63.1 -44.3 42.5 52.9 34.5 334 366 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 122.1 36.5 -76.8 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29.2 59.9 36.7 345 377 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.352 104.9 23.8 -53.0 132.5 30.6 63.2 37.8 346 378 A G T 3> S+ 0 0 20 -3,-0.0 4,-2.5 -2,-0.0 5,-0.2 0.088 93.7 101.2 102.9 -25.7 33.1 62.8 40.6 347 379 A A H <> S+ 0 0 0 -3,-2.4 4,-2.1 2,-0.2 5,-0.2 0.918 80.9 47.8 -70.3 -37.7 33.9 59.2 39.8 348 380 A T H > S+ 0 0 34 -4,-0.5 4,-2.4 -6,-0.3 -1,-0.2 0.928 113.5 50.9 -66.2 -37.2 37.3 59.9 38.0 349 381 A E H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.883 108.7 50.0 -66.6 -40.7 38.2 62.1 41.0 350 382 A D H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.907 112.3 47.6 -63.7 -41.8 37.4 59.4 43.5 351 383 A W H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.898 109.6 51.9 -70.2 -34.6 39.5 56.9 41.6 352 384 A A H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 112.9 46.7 -60.4 -42.7 42.4 59.3 41.3 353 385 A T H X S+ 0 0 41 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.940 111.9 52.0 -65.7 -42.2 42.2 59.8 45.1 354 386 A G H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.870 105.9 53.3 -56.5 -47.1 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52.2 52.6 55.6 365 397 A L T 3< S+ 0 0 0 -4,-1.8 8,-3.0 -5,-0.2 2,-0.4 0.474 80.4 119.7 -90.3 -1.9 51.8 48.8 55.9 366 398 A Q B < -Q 372 0K 15 -3,-1.2 118,-0.3 -4,-0.5 6,-0.2 -0.493 57.3-138.9 -71.5 120.3 55.3 47.7 54.6 367 399 A S - 0 0 7 4,-3.1 3,-0.2 -2,-0.4 121,-0.2 -0.201 26.7-100.3 -65.6 168.9 57.1 45.8 57.4 368 400 A A S S+ 0 0 58 119,-3.1 120,-0.1 116,-0.4 -1,-0.1 0.868 125.4 48.0 -56.2 -34.5 60.9 46.1 58.2 369 401 A E S S- 0 0 71 118,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.735 122.3-100.4 -86.4 -25.0 61.4 43.0 56.2 370 402 A G S S+ 0 0 0 1,-0.5 74,-0.1 -3,-0.2 -2,-0.1 -0.007 80.7 119.0 132.9 -25.7 59.4 43.9 53.1 371 403 A G - 0 0 0 -5,-0.1 -4,-3.1 118,-0.1 2,-0.5 -0.296 65.4-114.2 -68.6 154.8 56.1 42.0 53.5 372 404 A I B -Q 366 0K 1 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.814 25.4-130.1 -96.3 127.8 52.9 44.0 53.6 373 405 A A - 0 0 0 -8,-3.0 -50,-0.2 -2,-0.5 30,-0.1 -0.221 32.2 -94.8 -72.3 166.0 50.9 44.0 56.9 374 406 A G - 0 0 1 29,-0.4 -51,-3.7 -52,-0.1 -50,-0.4 0.873 57.4-113.1 -54.9 -59.8 47.1 43.3 56.9 375 407 A G E -NO 322 402J 0 27,-1.2 27,-2.0 -53,-0.3 2,-0.3 -0.889 29.0 -72.8 156.2-139.4 45.3 46.6 56.8 376 408 A A E -NO 321 401J 0 -55,-2.3 -55,-2.9 25,-0.3 2,-0.3 -0.964 21.8-143.9-158.1 159.9 43.0 48.8 58.9 377 409 A T E -NO 320 400J 3 23,-2.4 23,-2.7 -2,-0.3 -57,-0.2 -0.997 12.7-162.4-137.5 143.3 39.5 49.3 60.3 378 410 A N S S+ 0 0 0 -59,-1.9 2,-0.4 -2,-0.3 -58,-0.1 0.389 91.4 56.9 -93.3 -5.1 37.3 52.3 60.8 379 411 A S S > S- 0 0 4 -60,-0.3 3,-2.0 21,-0.1 -1,-0.2 -0.814 78.5-151.5-129.5 95.0 35.2 50.3 63.2 380 412 A W B > >S-R 385 0L 45 5,-0.6 5,-2.5 -2,-0.4 3,-1.3 -0.456 87.9 -0.9 -68.3 130.1 37.1 48.8 66.1 381 413 A D T 3 5S- 0 0 81 1,-0.2 -1,-0.3 -2,-0.2 -273,-0.2 0.613 119.1 -81.3 59.6 21.3 35.3 45.5 67.1 382 414 A G T < 5S+ 0 0 6 -3,-2.0 -274,-2.5 -275,-0.1 -1,-0.2 0.811 127.3 84.0 52.6 28.2 32.6 46.1 64.4 383 415 A S T < 5S- 0 0 25 -3,-1.3 -102,-0.6 -276,-0.2 -2,-0.1 0.097 107.8-108.7-138.9 16.1 31.0 48.6 66.9 384 416 A Y T 5 + 0 0 2 -104,-0.2 -3,-0.1 1,-0.1 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-0.518 65.0 143.8 -85.0 75.9 48.9 53.5 64.6 395 427 A T E -P 400 0J 22 -2,-1.9 81,-2.5 5,-0.2 2,-0.4 -0.764 41.0-164.5-126.8 157.4 46.5 55.3 62.2 396 428 A F E > S-P 399 0J 2 3,-2.0 3,-2.4 -2,-0.3 81,-0.1 -0.934 82.8 -34.0-141.3 102.2 45.9 55.9 58.5 397 429 A Y T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -120,-0.1 0.870 127.2 -40.3 44.9 51.4 43.4 58.7 57.8 398 430 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 -122,-0.1 2,-0.2 0.110 117.4 107.6 90.8 -25.8 41.3 57.9 60.9 399 431 A M E < - P 0 396J 2 -3,-2.4 -3,-2.0 -123,-0.1 2,-0.3 -0.600 62.7-129.8 -85.1 152.7 41.4 54.1 60.6 400 432 A V E -OP 377 395J 0 -23,-2.7 -23,-2.4 -2,-0.2 -5,-0.2 -0.787 28.4 -95.4-103.7 146.8 43.4 51.9 63.0 401 433 A Y E -O 376 0J 1 -7,-2.4 2,-0.4 -2,-0.3 -25,-0.3 -0.225 37.1-172.7 -51.8 132.0 45.9 49.3 62.1 402 434 A D E -O 375 0J 20 -27,-2.0 -27,-1.2 -81,-0.1 70,-0.0 -0.960 16.6-160.7-135.5 118.1 44.5 45.8 62.0 403 435 A E S S+ 0 0 51 -2,-0.4 -29,-0.4 1,-0.3 -1,-0.1 0.714 94.4 28.5 -70.0 -25.9 46.9 42.9 61.6 404 436 A N S S- 0 0 28 8,-0.2 -1,-0.3 9,-0.1 8,-0.1 -0.679 86.1-160.0-135.7 77.2 44.0 40.6 60.5 405 437 A P - 0 0 0 0, 0.0 2,-2.7 0, 0.0 7,-0.2 -0.297 65.0 -11.1 -64.8 150.0 41.4 42.6 58.9 406 438 A V S S+ 0 0 28 5,-0.1 2,-0.4 6,-0.1 5,-0.0 -0.167 125.3 42.6 77.2 -73.2 37.8 41.2 58.7 407 439 A Y > - 0 0 57 -2,-2.7 5,-2.1 1,-0.1 6,-0.2 -0.961 45.2-179.1-120.0 160.4 38.4 37.4 59.6 408 440 A H B > 5 +S 411 0M 62 -230,-3.3 3,-0.6 -2,-0.4 -229,-0.2 0.502 56.9 99.4-127.8 -0.7 40.5 35.7 62.4 409 441 A D T 3 5S+ 0 0 34 -231,-0.7 -227,-0.4 1,-0.7 -1,-0.2 -0.748 116.3 1.0-130.2 81.2 39.8 32.0 61.7 410 442 A P T 3 5S- 0 0 88 0, 0.0 -1,-0.7 0, 0.0 2,-0.1 0.621 114.9-102.6 -82.4 173.3 42.3 31.7 60.3 411 443 A G B X>5 -S 408 0M 11 -3,-0.6 3,-1.8 1,-0.2 4,-0.5 -0.367 18.8-140.2 -57.9 133.2 43.9 35.2 60.5 412 444 A S T 34< -T 466 0N 75 -4,-0.5 3,-0.8 -3,-0.3 4,-0.4 -0.623 59.2-156.4 -83.3 122.8 48.0 33.9 54.2 416 448 A F T >> S+ 0 0 1 49,-2.4 3,-1.5 -2,-0.5 4,-1.1 0.792 81.9 81.5 -65.4 -25.4 51.0 34.7 51.9 417 449 A G H 3> S+ 0 0 1 48,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.846 82.7 60.4 -53.9 -39.5 48.7 34.6 48.9 418 450 A W H <> S+ 0 0 16 -3,-0.8 4,-2.2 1,-0.2 5,-0.4 0.853 99.0 59.6 -54.3 -37.7 47.6 38.3 49.5 419 451 A Q H <> S+ 0 0 1 -3,-1.5 4,-2.2 -4,-0.4 5,-0.3 0.949 110.2 40.8 -51.0 -56.1 51.3 39.3 49.1 420 452 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.907 114.8 49.7 -64.8 -44.7 51.4 38.0 45.6 421 453 A W H X S+ 0 0 7 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.931 119.7 34.5 -63.1 -45.1 48.0 39.1 44.4 422 454 A S H >X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 3,-0.6 0.899 116.9 52.6 -83.4 -40.9 48.3 42.7 45.5 423 455 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.4 -1,-0.2 0.798 100.2 63.2 -67.6 -27.3 52.0 43.2 44.9 424 456 A Q H 3X S+ 0 0 14 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.3 0.866 102.3 51.8 -55.6 -36.6 51.7 41.9 41.4 425 457 A R H - 0 0 33 -6,-0.6 4,-2.4 -5,-0.2 -1,-0.2 -0.372 24.3-148.2 -62.7 127.9 56.3 55.1 39.4 436 468 A A H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.848 96.7 50.3 -65.0 -38.5 58.9 55.8 42.2 437 469 A Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 112.4 47.9 -64.4 -48.5 56.6 54.8 45.1 438 470 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.908 111.4 52.3 -56.5 -45.2 55.8 51.4 43.4 439 471 A K H X S+ 0 0 52 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.939 109.1 48.4 -57.0 -48.1 59.6 50.9 42.7 440 472 A Q H X S+ 0 0 117 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.888 112.0 49.4 -62.9 -42.3 60.5 51.5 46.3 441 473 A L H >X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 3,-0.7 0.936 114.7 43.5 -56.6 -48.6 57.8 49.1 47.5 442 474 A M H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.814 105.1 63.4 -76.1 -36.6 58.9 46.4 45.1 443 475 A D H 3< S+ 0 0 47 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.783 115.6 33.5 -53.4 -25.7 62.6 47.0 45.8 444 476 A K H S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.850 108.2 58.1 -74.9 -20.3 63.9 40.4 47.8 448 480 A W H X S+ 0 0 17 -4,-0.7 4,-0.6 2,-0.2 -2,-0.2 0.955 111.6 42.6 -66.5 -40.6 61.9 39.5 50.9 449 481 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 2,-0.2 4,-0.3 0.971 113.9 50.1 -63.4 -55.4 60.0 37.0 48.7 450 482 A L H >< S+ 0 0 18 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