==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 13-DEC-10 3PYW . COMPND 2 MOLECULE: S-LAYER PROTEIN SAP; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.ZHANG,R.WILTON,J.KERN,A.JOACHIMIAK,O.SCHNEEWIND,MIDWEST CE . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 0 0 0 0 3 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A K 0 0 151 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 117.9 -3.1 7.1 51.8 2 4 A T - 0 0 122 15,-0.0 3,-0.1 3,-0.0 6,-0.0 -0.831 360.0-155.9-108.1 149.1 -6.0 9.4 52.6 3 5 A F B > -A 6 0A 8 3,-0.6 3,-2.1 -2,-0.3 29,-0.1 -0.992 16.9-140.8-126.5 127.4 -5.9 13.2 52.6 4 6 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.841 105.1 51.9 -54.3 -33.4 -8.2 15.4 54.7 5 7 A D T 3 S+ 0 0 47 26,-0.2 27,-0.1 1,-0.2 26,-0.0 0.316 106.4 55.7 -92.2 9.3 -8.4 17.9 51.8 6 8 A V B < S-A 3 0A 5 -3,-2.1 -3,-0.6 28,-0.1 -1,-0.2 -0.666 82.1-159.0-135.0 82.0 -9.3 15.2 49.2 7 9 A P > - 0 0 62 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.097 31.2-102.0 -57.0 159.9 -12.4 13.4 50.4 8 10 A A T 3 S+ 0 0 93 1,-0.3 6,-0.1 5,-0.1 5,-0.0 0.689 121.6 41.0 -59.1 -27.7 -13.4 10.0 49.2 9 11 A D T 3 S+ 0 0 150 2,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.255 92.4 113.2-106.2 15.1 -16.1 11.2 46.8 10 12 A H S X S- 0 0 66 -3,-2.0 3,-1.7 1,-0.1 -4,-0.0 -0.574 77.6 -98.0 -87.3 145.1 -14.1 14.2 45.5 11 13 A W T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.288 109.0 33.9 -57.9 146.2 -12.8 14.5 41.9 12 14 A G T 3> S+ 0 0 8 -3,-0.1 4,-3.2 154,-0.0 5,-0.2 0.178 81.6 114.4 93.3 -15.2 -9.2 13.4 41.6 13 15 A I H <> S+ 0 0 29 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.894 79.0 43.6 -56.5 -46.3 -9.4 10.7 44.3 14 16 A D H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 116.8 47.0 -68.7 -38.6 -8.8 7.8 41.9 15 17 A S H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 114.4 47.3 -64.6 -47.9 -6.0 9.6 40.0 16 18 A I H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.933 110.6 51.3 -60.5 -46.6 -4.4 10.6 43.3 17 19 A N H X S+ 0 0 47 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.917 109.3 51.8 -58.0 -43.5 -4.6 7.1 44.7 18 20 A Y H X S+ 0 0 31 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.927 111.9 45.1 -58.1 -47.6 -3.0 5.7 41.6 19 21 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 6,-0.6 0.872 111.2 53.3 -67.6 -36.3 -0.1 8.1 41.8 20 22 A V H ><5S+ 0 0 38 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.957 108.2 50.8 -61.2 -48.1 0.4 7.5 45.5 21 23 A E H 3<5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 112.2 47.9 -56.2 -35.4 0.5 3.7 44.8 22 24 A K T 3<5S- 0 0 102 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.398 113.8-116.4 -89.4 0.9 3.2 4.4 42.1 23 25 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.747 82.4 118.1 72.6 26.4 5.3 6.7 44.4 24 26 A A S - 0 0 56 4,-2.4 3,-2.1 -2,-0.1 -1,-0.2 -0.281 44.4 -85.8 -94.0-178.7 3.0 17.5 53.0 29 31 A D T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.849 128.6 56.2 -57.4 -32.0 4.3 17.2 56.6 30 32 A K T 3 S- 0 0 182 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.467 119.8-108.3 -80.6 -2.1 0.8 18.2 57.8 31 33 A G S < S+ 0 0 24 -3,-2.1 2,-0.3 1,-0.3 -26,-0.2 0.497 74.7 137.4 89.0 5.7 -0.9 15.4 55.8 32 34 A M - 0 0 52 -29,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.643 46.6-158.9 -92.2 139.5 -2.4 17.7 53.3 33 35 A F - 0 0 0 -2,-0.3 -1,-0.1 -6,-0.2 -7,-0.1 0.817 23.1-149.6 -80.0 -32.1 -2.5 17.0 49.5 34 36 A E > - 0 0 79 1,-0.1 3,-1.6 2,-0.1 128,-0.3 0.975 18.7-177.0 57.4 61.9 -2.9 20.7 48.6 35 37 A P T 3 S+ 0 0 29 0, 0.0 128,-2.4 0, 0.0 129,-0.4 0.767 75.5 52.8 -63.6 -27.4 -4.9 19.9 45.4 36 38 A G T 3 S+ 0 0 54 126,-0.2 2,-0.1 125,-0.2 -2,-0.1 0.467 78.9 122.9 -89.4 0.8 -5.2 23.6 44.4 37 39 A K < - 0 0 66 -3,-1.6 125,-2.2 124,-0.1 2,-0.5 -0.389 66.6-122.7 -66.1 128.8 -1.5 24.3 44.6 38 40 A E B -B 161 0B 84 123,-0.2 123,-0.2 -2,-0.1 2,-0.2 -0.640 30.9-132.0 -76.9 124.4 0.0 25.6 41.4 39 41 A L - 0 0 3 121,-2.5 59,-2.4 -2,-0.5 121,-0.3 -0.493 8.8-133.9 -79.3 144.2 2.8 23.3 40.3 40 42 A T B > -C 97 0C 21 57,-0.3 4,-2.3 -2,-0.2 57,-0.3 -0.483 28.9-108.7 -83.1 165.3 6.3 24.4 39.2 41 43 A R H > S+ 0 0 59 55,-2.6 4,-2.8 52,-0.4 5,-0.2 0.899 121.5 52.4 -61.8 -39.0 8.0 22.9 36.1 42 44 A A H > S+ 0 0 0 52,-2.7 4,-2.3 54,-0.3 -1,-0.2 0.905 108.3 50.6 -64.6 -39.1 10.4 21.0 38.4 43 45 A E H > S+ 0 0 51 51,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.1 46.5 -65.2 -40.9 7.5 19.5 40.3 44 46 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.1 50.9 -65.5 -45.4 5.8 18.4 37.1 45 47 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.896 110.1 50.8 -59.0 -39.6 9.1 17.0 35.8 46 48 A T H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.925 107.7 50.9 -67.2 -45.0 9.6 15.1 39.1 47 49 A M H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.933 112.4 48.8 -57.2 -43.8 6.1 13.6 39.0 48 50 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 109.7 50.5 -61.9 -46.9 6.9 12.4 35.4 49 51 A A H <>S+ 0 0 1 -4,-2.8 5,-2.1 1,-0.2 4,-0.2 0.893 114.5 45.4 -57.4 -41.2 10.3 10.9 36.4 50 52 A Q H ><5S+ 0 0 59 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.926 112.4 47.5 -73.3 -45.8 8.6 9.0 39.3 51 53 A I H 3<5S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 113.5 49.3 -65.9 -33.1 5.6 7.7 37.3 52 54 A L T 3<5S- 0 0 43 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.475 106.8-130.5 -80.2 -5.2 7.9 6.5 34.4 53 55 A N T < 5 + 0 0 127 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.841 39.9 178.5 54.9 40.5 10.2 4.8 36.9 54 56 A L < - 0 0 35 -5,-2.1 2,-0.2 -6,-0.2 -1,-0.2 -0.418 39.4 -97.2 -67.4 145.6 13.2 6.5 35.4 55 57 A P - 0 0 114 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.482 37.8-151.6 -62.9 125.9 16.5 5.7 37.1 56 58 A I - 0 0 72 -2,-0.2 2,-0.6 -3,-0.1 19,-0.1 -0.935 12.3-172.8-105.1 114.8 17.3 8.5 39.5 57 59 A D > - 0 0 91 -2,-0.6 3,-2.0 17,-0.3 20,-0.1 -0.959 19.3-146.2-108.6 116.0 21.1 9.0 40.0 58 60 A K T 3 S+ 0 0 172 -2,-0.6 -1,-0.1 1,-0.3 17,-0.1 0.738 98.4 47.9 -55.4 -27.2 21.7 11.5 42.8 59 61 A D T 3 S+ 0 0 122 15,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.499 85.1 113.3 -92.5 -6.3 24.9 12.8 41.0 60 62 A A < - 0 0 32 -3,-2.0 17,-0.3 1,-0.0 18,-0.1 -0.431 49.8-160.2 -71.3 141.5 23.3 13.2 37.6 61 63 A K - 0 0 155 -2,-0.1 7,-0.1 16,-0.1 -2,-0.1 -0.968 12.8-131.9-123.5 138.9 23.0 16.7 36.2 62 64 A P - 0 0 6 0, 0.0 15,-0.1 0, 0.0 5,-0.1 -0.297 32.0-110.0 -75.5 166.8 20.8 18.0 33.4 63 65 A S S S+ 0 0 84 14,-0.1 2,-0.1 3,-0.0 5,-0.1 0.857 85.6 105.8 -59.7 -36.6 22.4 20.2 30.8 64 66 A F > - 0 0 11 1,-0.2 3,-1.7 3,-0.1 26,-0.0 -0.228 60.5-152.9 -67.9 126.8 20.7 23.4 32.0 65 67 A A G > S+ 0 0 99 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.815 97.2 58.0 -57.9 -30.0 22.7 25.9 33.9 66 68 A D G 3 S+ 0 0 58 1,-0.2 -1,-0.3 28,-0.0 -2,-0.1 0.407 99.1 57.7 -84.1 1.3 19.5 27.0 35.6 67 69 A S G < S+ 0 0 0 -3,-1.7 3,-0.3 -5,-0.1 -1,-0.2 0.064 81.1 111.3-123.8 26.3 18.6 23.6 37.1 68 70 A Q < + 0 0 58 -3,-0.7 4,-0.1 1,-0.2 3,-0.1 -0.506 61.3 25.3 -97.0 162.9 21.6 22.7 39.2 69 71 A G S S+ 0 0 80 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.674 95.4 97.3 69.7 22.8 22.3 22.4 42.9 70 72 A Q S > S- 0 0 103 -3,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.867 87.3 -94.6-142.4 170.9 18.8 21.6 44.1 71 73 A W T 3 S+ 0 0 116 1,-0.3 4,-0.4 -2,-0.3 -2,-0.1 0.841 121.8 52.3 -54.0 -37.2 16.4 18.8 45.1 72 74 A Y T 3> S+ 0 0 14 1,-0.2 4,-2.6 2,-0.1 3,-0.4 0.599 83.0 94.2 -75.6 -12.3 15.0 18.7 41.5 73 75 A T H <> S+ 0 0 11 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.896 85.9 42.3 -56.4 -51.9 18.4 18.4 39.8 74 76 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -17,-0.3 0.835 114.3 53.4 -69.0 -25.4 18.6 14.6 39.4 75 77 A F H > S+ 0 0 36 -4,-0.4 4,-2.6 -3,-0.4 5,-0.2 0.915 109.9 46.1 -69.5 -44.9 14.9 14.4 38.4 76 78 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.909 110.8 55.1 -60.9 -41.8 15.4 17.0 35.6 77 79 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 -17,-0.3 -2,-0.2 0.933 110.1 46.8 -53.0 -48.2 18.6 15.0 34.6 78 80 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.913 113.1 45.9 -65.8 -47.5 16.4 11.8 34.3 79 81 A V H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-0.9 0.875 113.0 51.0 -66.1 -34.4 13.6 13.4 32.3 80 82 A E H ><5S+ 0 0 44 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.928 109.4 50.1 -66.9 -45.2 16.1 15.1 30.0 81 83 A K H 3<5S+ 0 0 195 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.873 109.8 51.6 -58.8 -38.5 17.9 11.9 29.4 82 84 A A T 3<5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.501 114.3-118.0 -77.7 -4.7 14.6 10.2 28.5 83 85 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.627 79.3 126.1 75.3 16.2 13.7 12.9 26.0 84 86 A V S - 0 0 118 1,-0.1 3,-1.8 2,-0.1 -52,-0.4 0.957 23.4-174.0 51.3 60.4 13.1 27.5 34.4 94 96 A P T 3 S+ 0 0 3 0, 0.0 -52,-2.7 0, 0.0 -51,-0.4 0.794 77.1 47.5 -58.2 -30.9 12.5 24.8 37.1 95 97 A N T 3 S+ 0 0 94 -54,-0.2 2,-0.2 -55,-0.2 -2,-0.1 0.410 88.7 103.9 -96.1 2.1 10.9 27.2 39.5 96 98 A G S < S- 0 0 19 -3,-1.8 -55,-2.6 -4,-0.1 -54,-0.3 -0.507 84.3 -98.8 -74.6 152.7 8.5 28.8 37.0 97 99 A K B -C 40 0C 109 -57,-0.3 2,-0.3 -2,-0.2 -57,-0.3 -0.479 38.0-122.4 -72.5 140.0 4.9 27.7 37.1 98 100 A I - 0 0 3 -59,-2.4 62,-1.7 62,-0.2 2,-0.2 -0.663 24.9-150.2 -85.8 138.7 4.0 25.0 34.5 99 101 A D B > -D 159 0D 33 -2,-0.3 4,-2.4 60,-0.2 60,-0.2 -0.592 28.2-102.0-103.5 170.3 1.2 25.8 32.1 100 102 A R H > S+ 0 0 18 58,-2.0 4,-2.4 55,-0.4 57,-0.2 0.887 119.9 50.3 -60.4 -41.6 -1.2 23.5 30.3 101 103 A V H > S+ 0 0 3 55,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.905 110.7 49.4 -67.5 -35.1 0.6 23.5 27.0 102 104 A S H > S+ 0 0 18 54,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.910 110.6 50.9 -67.6 -39.7 3.9 22.6 28.7 103 105 A M H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 107.7 53.7 -59.5 -43.3 2.2 19.8 30.6 104 106 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.901 107.1 51.8 -58.7 -42.2 0.8 18.5 27.3 105 107 A S H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.921 107.7 50.8 -61.0 -47.6 4.4 18.5 25.9 106 108 A L H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 114.5 44.8 -53.1 -48.3 5.7 16.4 28.9 107 109 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 6,-0.3 0.922 112.9 48.4 -66.9 -44.5 2.9 13.9 28.4 108 110 A V H X>S+ 0 0 4 -4,-2.6 5,-1.8 1,-0.2 4,-0.6 0.922 116.9 42.7 -64.3 -46.0 3.2 13.6 24.6 109 111 A E H ><5S+ 0 0 63 -4,-2.6 3,-0.6 -25,-0.3 -2,-0.2 0.914 114.0 50.8 -65.9 -45.3 7.0 13.2 24.7 110 112 A A H 3<5S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.891 123.5 28.4 -61.4 -39.9 7.0 10.8 27.7 111 113 A Y H 3<5S- 0 0 14 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.251 102.3-121.7-109.6 11.1 4.4 8.4 26.2 112 114 A K T X<5 + 0 0 118 -3,-0.6 3,-2.0 -4,-0.6 -3,-0.2 0.901 45.0 173.2 48.2 49.7 5.1 9.0 22.4 113 115 A L G > < + 0 0 0 -5,-1.8 3,-1.7 -6,-0.3 4,-0.1 0.723 65.5 71.1 -67.0 -21.1 1.5 10.1 22.1 114 116 A D G > S+ 0 0 79 -6,-0.4 3,-0.7 1,-0.3 -1,-0.3 0.789 95.2 57.3 -59.3 -27.1 1.9 11.2 18.5 115 117 A T G < S+ 0 0 90 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.481 97.7 62.8 -82.0 -2.7 2.2 7.5 17.7 116 118 A K G < S+ 0 0 106 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.297 94.1 69.7-107.1 6.6 -1.3 6.8 19.2 117 119 A V S < S- 0 0 22 -3,-0.7 2,-0.6 -4,-0.1 23,-0.0 -0.928 78.2-124.3-123.9 152.0 -3.3 9.0 16.8 118 120 A N S S- 0 0 160 -2,-0.3 -3,-0.1 2,-0.0 -2,-0.0 -0.848 74.7 -29.9 -96.6 118.5 -4.1 8.5 13.1 119 121 A G S S- 0 0 64 -2,-0.6 -2,-0.1 2,-0.1 0, 0.0 -0.314 108.4 -32.4 73.3-156.5 -3.0 11.4 11.0 120 122 A T - 0 0 130 -2,-0.0 -1,-0.1 1,-0.0 -2,-0.0 -0.903 67.1-121.8-105.0 115.0 -2.9 15.0 12.3 121 123 A P - 0 0 16 0, 0.0 19,-0.1 0, 0.0 18,-0.1 -0.240 29.3-112.1 -53.7 139.7 -5.5 15.8 14.9 122 124 A A - 0 0 65 17,-0.1 2,-0.6 1,-0.1 21,-0.1 -0.277 27.1-110.0 -64.2 155.4 -7.9 18.7 14.1 123 125 A T + 0 0 41 1,-0.1 -1,-0.1 19,-0.0 13,-0.0 -0.853 36.4 176.5 -90.2 120.8 -7.8 22.0 16.0 124 126 A K + 0 0 131 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.408 56.5 61.6-108.5 1.5 -10.9 22.2 18.1 125 127 A F >> - 0 0 20 1,-0.1 3,-1.5 28,-0.0 4,-1.0 -0.986 69.9-137.4-136.1 138.6 -10.3 25.5 20.1 126 128 A K H 3> S+ 0 0 144 26,-1.3 4,-0.5 -2,-0.4 3,-0.2 0.800 104.9 58.8 -66.7 -29.0 -9.9 29.0 18.9 127 129 A D H 34 S+ 0 0 38 25,-0.7 -1,-0.3 1,-0.2 26,-0.1 0.472 107.7 46.5 -81.7 -1.4 -7.0 29.6 21.3 128 130 A L H X4 S+ 0 0 0 -3,-1.5 3,-1.1 2,-0.1 -1,-0.2 0.599 90.3 86.2-100.5 -19.2 -5.1 26.8 19.7 129 131 A E H 3< S+ 0 0 112 -4,-1.0 -2,-0.1 1,-0.3 -3,-0.1 0.833 109.1 14.9 -54.3 -41.3 -5.7 27.9 16.1 130 132 A T T 3< S+ 0 0 112 -4,-0.5 -1,-0.3 5,-0.0 2,-0.1 0.121 86.5 144.4-122.1 20.6 -2.8 30.3 16.0 131 133 A L < - 0 0 22 -3,-1.1 4,-0.3 1,-0.1 3,-0.1 -0.416 42.6-146.8 -62.9 133.2 -0.8 29.2 19.0 132 134 A N S S+ 0 0 172 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.728 75.8 24.1 -81.4 -25.6 2.9 29.6 18.2 133 135 A W S S+ 0 0 132 2,-0.0 -1,-0.2 1,-0.0 -32,-0.0 -0.994 120.7 15.8-139.1 137.0 4.4 26.6 20.2 134 136 A G S > S+ 0 0 6 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 0.416 73.7 128.2 90.3 1.5 2.7 23.4 21.4 135 137 A K H > S+ 0 0 49 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.908 76.4 46.9 -55.2 -49.1 -0.4 23.4 19.2 136 138 A E H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 112.0 51.8 -63.7 -35.6 0.1 19.9 18.0 137 139 A K H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.922 111.2 45.7 -67.7 -44.7 0.8 18.6 21.5 138 140 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.938 110.9 54.4 -60.6 -44.9 -2.5 20.2 22.8 139 141 A N H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.851 106.8 51.8 -61.2 -37.1 -4.3 18.8 19.8 140 142 A I H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 107.4 51.0 -62.9 -47.3 -3.1 15.3 20.7 141 143 A L H <>S+ 0 0 2 -4,-1.9 5,-1.9 1,-0.2 6,-1.1 0.866 112.7 47.8 -56.9 -38.8 -4.2 15.5 24.3 142 144 A V H ><5S+ 0 0 25 -4,-2.1 3,-1.5 2,-0.2 -2,-0.2 0.944 110.3 50.2 -67.4 -48.4 -7.7 16.6 23.0 143 145 A E H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.878 113.3 47.1 -57.2 -40.8 -7.8 13.7 20.4 144 146 A L T 3<5S- 0 0 32 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.412 110.7-121.5 -81.7 -0.5 -6.9 11.2 23.1 145 147 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.669 77.4 124.9 66.3 20.7 -9.5 12.6 25.6 146 148 A I < + 0 0 1 -5,-1.9 2,-0.4 -6,-0.2 -4,-0.2 0.900 58.8 72.8 -77.1 -44.1 -6.8 13.4 28.2 147 149 A S S S- 0 0 10 -6,-1.1 2,-0.4 -9,-0.2 -2,-0.1 -0.863 82.1-121.7 -88.9 137.8 -7.8 17.1 28.4 148 150 A V - 0 0 64 -2,-0.4 2,-0.2 6,-0.0 -1,-0.1 -0.723 24.4-158.8 89.8 25.6 -10.6 18.5 29.8 149 151 A G + 0 0 56 -2,-0.4 5,-0.1 1,-0.1 3,-0.1 -0.464 19.5 165.1 -72.0 132.5 -12.7 20.6 27.2 150 152 A T - 0 0 109 3,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.279 61.0 -45.0-131.7 11.9 -14.9 23.3 28.7 151 153 A G S S- 0 0 58 2,-0.1 3,-0.0 0, 0.0 -2,-0.0 -0.902 98.5 -33.6 159.4-135.1 -16.0 25.6 25.9 152 154 A D S S+ 0 0 81 -2,-0.3 -26,-1.3 -27,-0.1 -25,-0.7 0.278 113.9 76.0-106.9 9.4 -14.2 27.3 23.0 153 155 A Q - 0 0 96 -28,-0.2 -3,-0.5 -27,-0.1 -2,-0.1 -0.980 48.6-172.6-126.6 128.7 -10.9 27.8 24.9 154 156 A W - 0 0 4 -2,-0.4 -1,-0.1 -5,-0.1 4,-0.1 0.687 35.3-141.8 -83.2 -22.5 -8.3 25.2 25.7 155 157 A E > - 0 0 65 1,-0.1 3,-1.5 2,-0.1 -55,-0.4 0.954 25.7-179.9 63.2 56.1 -6.4 27.7 27.9 156 158 A P T 3 S+ 0 0 8 0, 0.0 -55,-2.6 0, 0.0 -54,-0.4 0.807 77.5 48.8 -60.1 -29.2 -2.8 26.7 26.9 157 159 A K T 3 S+ 0 0 136 -57,-0.2 2,-0.1 -58,-0.2 -2,-0.1 0.427 83.6 115.1 -92.2 0.2 -1.2 29.4 29.1 158 160 A K S < S- 0 0 105 -3,-1.5 -58,-2.0 1,-0.1 -57,-0.1 -0.466 71.7-110.6 -71.9 141.3 -3.2 28.6 32.3 159 161 A T B -D 99 0D 40 -60,-0.2 2,-0.5 -2,-0.1 -60,-0.2 -0.323 28.3-125.7 -69.5 154.6 -1.3 27.2 35.2 160 162 A V - 0 0 0 -62,-1.7 -121,-2.5 -121,-0.3 -62,-0.2 -0.893 17.6-141.7-109.3 128.9 -1.8 23.6 36.3 161 163 A T B > -B 38 0B 22 -2,-0.5 4,-2.8 -123,-0.2 -123,-0.2 -0.448 26.8-107.8 -84.8 162.1 -2.7 22.7 39.8 162 164 A K H > S+ 0 0 15 -125,-2.2 4,-2.3 -128,-0.3 -126,-0.2 0.896 120.0 45.2 -54.2 -47.1 -1.4 19.7 41.7 163 165 A A H > S+ 0 0 2 -128,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.872 112.5 51.7 -69.4 -37.9 -4.8 17.8 41.5 164 166 A E H > S+ 0 0 54 -129,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.917 110.6 48.3 -61.9 -43.7 -5.1 18.6 37.8 165 167 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.911 108.4 54.6 -62.0 -43.4 -1.6 17.4 37.1 166 168 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.913 109.5 48.5 -56.4 -44.3 -2.5 14.2 39.0 167 169 A Q H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.935 112.7 45.9 -61.0 -49.0 -5.5 13.7 36.8 168 170 A F H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 118.9 42.0 -59.1 -48.0 -3.5 14.2 33.5 169 171 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.922 114.4 48.2 -71.9 -44.8 -0.7 12.0 34.6 170 172 A A H X S+ 0 0 4 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.931 115.0 46.2 -61.7 -44.8 -2.7 9.1 36.2 171 173 A K H X S+ 0 0 85 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.939 116.5 44.0 -63.8 -46.6 -5.0 8.9 33.1 172 174 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.914 115.4 47.3 -66.7 -45.6 -2.2 9.0 30.6 173 175 A D H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.917 110.1 52.2 -64.7 -42.2 0.0 6.5 32.5 174 176 A K H < S+ 0 0 154 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.879 118.7 38.1 -61.7 -34.8 -2.8 4.0 33.1 175 177 A Q H < S+ 0 0 96 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.873 135.2 14.6 -80.4 -42.4 -3.6 4.1 29.3 176 178 A F H < S+ 0 0 39 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.423 86.1 123.3-122.6 -3.6 -0.1 4.3 27.8 177 179 A G < 0 0 32 -4,-2.5 -125,-0.1 -5,-0.3 -66,-0.1 -0.363 360.0 360.0 -68.4 145.7 2.5 3.4 30.4 178 180 A T 0 0 189 -126,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.370 360.0 360.0-137.0 360.0 4.8 0.5 29.6