==== 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 BIOSYNTHETIC PROTEIN 26-OCT-04 1XUU . COMPND 2 MOLECULE: POLYSIALIC ACID CAPSULE BIOSYNTHESIS PROTEIN SIAC . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR J.GUNAWAN,D.SIMARD,M.GILBERT,A.L.LOVERING,W.W.WAKARCHUK,M.E. . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 2 2 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 PARALLEL BRIDGES PER LADDER . 5 0 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 . 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 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 2 A Q 0 0 105 0, 0.0 2,-0.3 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 -57.5 96.8 1.5 66.6 2 3 A N - 0 0 35 2,-0.1 14,-0.1 204,-0.0 13,-0.1 -0.932 360.0-118.4-155.1 178.1 100.3 0.7 67.7 3 4 A N + 0 0 124 -2,-0.3 205,-0.1 12,-0.1 -1,-0.0 0.112 58.7 138.6-112.0 19.6 104.1 1.0 67.0 4 5 A N + 0 0 42 201,-0.1 11,-0.5 203,-0.1 12,-0.4 -0.307 25.0 149.6 -62.6 148.9 104.9 -2.7 66.7 5 6 A E + 0 0 103 9,-0.2 2,-0.3 201,-0.1 9,-0.2 -0.977 21.8 173.1-173.4 163.4 107.2 -3.6 63.9 6 7 A F E -A 13 0A 17 7,-1.3 7,-2.3 -2,-0.3 2,-0.4 -0.950 31.7-101.4-167.0 169.7 110.0 -5.9 62.5 7 8 A K E -A 12 0A 112 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.879 8.1-160.9-115.5 141.4 111.9 -6.5 59.3 8 9 A I E > S-A 11 0A 3 3,-2.6 3,-1.7 -2,-0.4 2,-0.4 -0.903 83.5 -51.0-109.5 93.6 111.6 -9.1 56.6 9 10 A G T 3 S- 0 0 45 -2,-0.8 115,-0.0 116,-0.4 96,-0.0 -0.603 123.4 -21.8 72.8-127.7 115.0 -8.6 55.1 10 11 A N T 3 S+ 0 0 137 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.282 117.4 102.5 -97.2 11.3 115.4 -4.8 54.6 11 12 A R E < -A 8 0A 25 -3,-1.7 -3,-2.6 38,-0.0 2,-0.2 -0.850 62.9-146.4-101.9 115.8 111.6 -4.3 54.5 12 13 A S E -A 7 0A 32 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.572 15.3-165.7 -79.5 140.6 110.0 -2.8 57.6 13 14 A V E +A 6 0A 0 -7,-2.3 -7,-1.3 -2,-0.2 2,-0.2 -0.976 32.0 87.3-129.2 141.1 106.5 -4.0 58.5 14 15 A G S > S- 0 0 0 -2,-0.4 3,-2.3 216,-0.3 -9,-0.2 -0.818 83.7 -65.0 152.4 168.6 104.0 -2.5 60.9 15 16 A Y T 3 S+ 0 0 39 -11,-0.5 -12,-0.1 1,-0.3 -1,-0.1 0.810 127.4 51.6 -52.0 -35.1 101.2 0.0 61.4 16 17 A N T 3 S+ 0 0 76 -12,-0.4 -1,-0.3 -14,-0.1 2,-0.3 0.312 104.8 68.6 -89.7 11.9 103.6 3.0 60.9 17 18 A H S < S- 0 0 46 -3,-2.3 -3,-0.1 1,-0.1 3,-0.1 -0.789 99.8 -76.7-123.1 167.8 104.9 1.6 57.6 18 19 A E - 0 0 61 -2,-0.3 -4,-0.2 1,-0.1 246,-0.1 -0.381 61.0-100.2 -61.7 134.2 103.5 1.1 54.1 19 20 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 212,-0.2 -0.293 36.9-131.1 -57.8 143.6 101.2 -2.0 54.1 20 21 A L E -b 231 0B 1 210,-2.7 212,-3.2 -3,-0.1 2,-0.6 -0.872 13.9-154.6-102.3 126.2 103.0 -5.0 52.6 21 22 A I E -b 232 0B 8 -2,-0.5 29,-0.7 210,-0.2 2,-0.6 -0.883 5.3-155.2-103.1 120.3 101.3 -7.1 50.0 22 23 A I E -bc 233 50B 0 210,-3.4 212,-1.6 -2,-0.6 2,-0.9 -0.846 5.2-150.6 -97.4 121.4 102.4 -10.7 49.7 23 24 A C E -bc 234 51B 0 27,-2.3 29,-2.8 -2,-0.6 2,-1.0 -0.813 11.7-156.2 -92.9 104.0 101.8 -12.2 46.3 24 25 A E E +bc 235 52B 9 210,-2.4 212,-2.7 -2,-0.9 29,-0.2 -0.697 24.4 170.3 -87.9 101.4 101.2 -15.9 46.8 25 26 A I E > + 0 0 4 27,-1.4 3,-2.8 -2,-1.0 4,-0.2 0.852 29.4 154.0 -71.5 -33.5 102.0 -17.9 43.7 26 27 A G E 3 S- c 0 53B 0 26,-1.9 28,-0.5 1,-0.3 3,-0.4 -0.153 73.6 -19.6 46.0-122.6 101.7 -20.9 45.9 27 28 A I T > S+ 0 0 7 1,-0.2 3,-2.1 26,-0.1 -1,-0.3 0.280 106.3 109.1 -98.0 9.7 100.7 -24.0 43.9 28 29 A N T < + 0 0 4 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.739 67.2 67.0 -58.2 -23.8 99.4 -21.8 41.0 29 30 A H T > S- 0 0 2 -3,-0.4 3,-2.3 -4,-0.2 -1,-0.3 0.510 98.0-137.9 -76.2 -3.8 102.4 -22.9 38.8 30 31 A E T < - 0 0 52 -3,-2.1 -2,-0.1 1,-0.3 56,-0.1 0.818 66.1 -55.2 49.3 38.1 101.0 -26.5 38.8 31 32 A G T 3 S+ 0 0 26 54,-0.7 2,-0.6 1,-0.2 -1,-0.3 0.477 107.8 124.8 79.3 3.2 104.5 -27.9 39.3 32 33 A S <> - 0 0 42 -3,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.859 47.7-161.1-101.7 122.3 106.1 -26.2 36.3 33 34 A L H > S+ 0 0 29 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.885 95.4 57.0 -65.3 -37.1 109.1 -24.0 36.9 34 35 A K H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 108.9 44.8 -58.7 -46.0 108.5 -22.3 33.6 35 36 A T H > S+ 0 0 22 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.903 110.7 55.3 -65.9 -39.8 105.0 -21.3 34.7 36 37 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -7,-0.2 -2,-0.2 0.908 108.4 48.0 -59.8 -42.3 106.4 -20.2 38.1 37 38 A F H X S+ 0 0 49 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.881 108.6 53.4 -67.0 -37.8 108.9 -17.9 36.3 38 39 A E H X S+ 0 0 61 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.876 111.9 46.0 -64.6 -34.8 106.2 -16.4 34.1 39 40 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.853 111.1 51.4 -75.3 -34.7 104.2 -15.7 37.3 40 41 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 109.8 51.4 -67.2 -38.6 107.2 -14.2 39.0 41 42 A D H X S+ 0 0 50 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.927 109.2 49.5 -62.9 -45.2 107.8 -12.0 36.0 42 43 A A H X S+ 0 0 18 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.887 111.8 48.6 -61.7 -39.2 104.2 -10.8 36.1 43 44 A A H X>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-0.6 0.935 112.0 49.1 -65.4 -47.4 104.5 -10.0 39.8 44 45 A Y H ><5S+ 0 0 113 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.940 111.5 47.7 -57.2 -51.7 107.8 -8.1 39.3 45 46 A N H 3<5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.6 56.1 -64.2 -23.2 106.4 -6.0 36.4 46 47 A A H 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.580 123.4-103.7 -85.1 -10.2 103.3 -5.2 38.5 47 48 A G T <<5 + 0 0 28 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.675 59.1 166.8 98.1 19.7 105.4 -3.8 41.2 48 49 A A < - 0 0 8 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.314 24.2-166.5 -67.1 150.5 105.3 -6.6 43.8 49 50 A E S S+ 0 0 62 -28,-0.5 56,-2.8 1,-0.3 2,-0.4 0.672 73.5 34.0-106.0 -29.3 107.8 -6.6 46.7 50 51 A V E -cd 22 105B 1 -29,-0.7 -27,-2.3 54,-0.2 2,-0.5 -0.994 57.0-166.7-136.0 135.1 107.2 -10.1 47.9 51 52 A V E -cd 23 106B 2 54,-2.4 56,-1.6 -2,-0.4 2,-0.5 -0.981 16.1-156.5-117.2 127.8 106.4 -13.4 46.2 52 53 A K E -cd 24 107B 1 -29,-2.8 -26,-1.9 -2,-0.5 -27,-1.4 -0.925 8.7-171.3-112.8 130.7 105.3 -16.3 48.4 53 54 A H E -cd 26 108B 3 54,-2.2 56,-2.5 -2,-0.5 2,-0.4 -0.389 21.3-125.0-103.4 179.4 105.7 -19.9 47.5 54 55 A Q E - d 0 109B 13 -28,-0.5 2,-0.8 54,-0.3 54,-0.0 -0.999 18.5-144.1-129.3 127.3 104.4 -23.1 49.2 55 56 A T E - d 0 110B 0 54,-3.2 56,-1.1 -2,-0.4 2,-0.5 -0.836 20.7-175.0 -99.9 107.4 106.9 -25.8 50.1 56 57 A H + 0 0 8 -2,-0.8 2,-0.5 31,-0.2 31,-0.1 -0.906 22.0 166.3-111.4 121.9 105.5 -29.2 49.7 57 58 A I >> - 0 0 16 -2,-0.5 4,-1.5 1,-0.1 3,-1.1 -0.867 22.4-164.1-126.7 85.7 107.3 -32.4 50.7 58 59 A V H 3> S+ 0 0 11 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.787 79.7 56.7 -45.5 -44.3 104.3 -34.8 50.5 59 60 A E H 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.856 116.9 34.5 -61.5 -36.9 105.8 -37.7 52.4 60 61 A D H <4 S+ 0 0 53 -3,-1.1 53,-0.4 1,-0.1 -1,-0.2 0.611 116.4 57.4 -93.2 -12.5 106.6 -35.6 55.5 61 62 A E H < S+ 0 0 40 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.784 115.2 11.9 -88.2 -31.7 103.5 -33.4 55.1 62 63 A M < - 0 0 31 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.1 -0.996 63.7-128.2-150.9 153.7 100.8 -36.1 55.2 63 64 A S > - 0 0 73 -2,-0.3 3,-2.3 -3,-0.1 4,-0.2 -0.395 49.8 -86.5 -90.0 174.1 100.1 -39.8 55.9 64 65 A D G > S+ 0 0 110 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.734 120.3 74.8 -54.8 -25.3 98.4 -42.2 53.6 65 66 A E G > S+ 0 0 132 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.795 83.5 68.5 -58.5 -27.4 95.0 -41.1 55.0 66 67 A A G X S+ 0 0 11 -3,-2.3 13,-1.4 1,-0.3 3,-0.6 0.634 85.2 68.3 -68.2 -14.4 95.4 -37.9 52.9 67 68 A K G < S+ 0 0 93 -3,-2.0 -1,-0.3 -4,-0.2 10,-0.2 0.547 101.6 48.8 -80.7 -6.3 95.0 -39.9 49.7 68 69 A Q G < S+ 0 0 157 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.2 0.334 95.0 84.0-112.9 3.5 91.4 -40.5 50.7 69 70 A V < - 0 0 82 -3,-0.6 9,-2.3 -4,-0.2 10,-0.3 -0.941 60.2-153.1-117.3 130.0 90.3 -37.0 51.6 70 71 A I - 0 0 109 -2,-0.5 7,-0.2 7,-0.2 -3,-0.0 -0.803 15.9-129.0-101.2 131.7 89.1 -34.3 49.1 71 72 A P > - 0 0 32 0, 0.0 3,-1.6 0, 0.0 5,-0.0 -0.330 27.5-108.4 -74.1 161.9 89.4 -30.6 49.7 72 73 A G T 3 S+ 0 0 90 1,-0.3 112,-0.0 3,-0.0 -2,-0.0 0.816 117.1 44.8 -58.6 -34.3 86.4 -28.3 49.3 73 74 A N T 3 S+ 0 0 47 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.110 110.5 61.1 -99.3 21.9 87.7 -26.7 46.1 74 75 A A < - 0 0 19 -3,-1.6 4,-0.1 1,-0.1 -4,-0.1 -0.838 61.7-144.3-138.9 176.8 88.8 -29.9 44.4 75 76 A D S S+ 0 0 157 -2,-0.3 2,-0.3 2,-0.1 -5,-0.1 0.352 83.7 54.1-121.8 -2.8 87.6 -33.2 43.0 76 77 A V S S- 0 0 43 1,-0.1 -8,-0.1 -7,-0.1 5,-0.1 -0.792 99.2 -68.7-126.2 172.3 90.6 -35.4 43.8 77 78 A S > - 0 0 17 -2,-0.3 4,-1.8 -10,-0.2 3,-0.4 -0.219 36.3-124.0 -63.2 149.2 92.6 -36.1 47.0 78 79 A I H > S+ 0 0 48 -9,-2.3 4,-2.4 -12,-0.4 5,-0.2 0.852 113.9 60.3 -60.3 -31.9 94.7 -33.4 48.6 79 80 A Y H > S+ 0 0 25 -13,-1.4 4,-2.1 -10,-0.3 -1,-0.2 0.901 104.3 48.0 -62.8 -40.2 97.6 -35.8 48.3 80 81 A E H > S+ 0 0 100 -3,-0.4 4,-1.8 -14,-0.3 -1,-0.2 0.873 111.5 49.8 -69.1 -37.9 97.2 -35.9 44.6 81 82 A I H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.952 113.7 44.3 -65.4 -50.3 97.0 -32.1 44.2 82 83 A M H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 113.1 50.7 -63.2 -40.1 100.1 -31.5 46.3 83 84 A E H < S+ 0 0 115 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.885 112.4 48.2 -65.8 -36.6 102.1 -34.3 44.6 84 85 A R H < S+ 0 0 100 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 120.4 35.4 -71.2 -36.5 101.1 -32.8 41.2 85 86 A C H < S+ 0 0 1 -4,-2.2 -54,-0.7 -5,-0.1 -2,-0.2 0.600 89.2 117.4 -95.1 -14.2 102.1 -29.2 42.2 86 87 A A < - 0 0 32 -4,-2.1 2,-0.4 -5,-0.2 -31,-0.1 -0.247 52.5-147.8 -60.5 138.8 105.1 -29.8 44.4 87 88 A L - 0 0 6 -31,-0.1 -31,-0.2 -55,-0.1 -55,-0.1 -0.887 19.8-124.1-104.6 136.3 108.5 -28.5 43.3 88 89 A N > - 0 0 78 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.236 33.4 -96.5 -73.0 171.9 111.5 -30.6 44.3 89 90 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.887 122.6 55.1 -55.6 -44.0 114.3 -28.9 46.4 90 91 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 111.6 42.2 -54.8 -53.4 116.4 -28.2 43.3 91 92 A D H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 111.6 54.4 -66.1 -37.7 113.7 -26.3 41.5 92 93 A E H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.862 106.2 52.3 -66.0 -34.4 112.6 -24.4 44.6 93 94 A I H X S+ 0 0 82 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.899 110.1 49.6 -65.9 -38.5 116.1 -23.2 45.1 94 95 A K H X S+ 0 0 98 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.843 109.0 52.3 -66.8 -35.8 116.1 -22.0 41.5 95 96 A L H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 108.6 50.0 -67.2 -42.7 112.8 -20.2 42.1 96 97 A K H X S+ 0 0 29 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 112.3 46.6 -62.3 -46.0 114.1 -18.4 45.2 97 98 A E H X S+ 0 0 121 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.901 111.6 52.9 -63.1 -40.0 117.2 -17.2 43.2 98 99 A Y H X S+ 0 0 44 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.933 109.9 46.7 -61.4 -47.8 115.0 -16.1 40.3 99 100 A V H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-0.9 0.919 115.0 47.0 -60.9 -44.0 112.7 -14.1 42.6 100 101 A E H ><5S+ 0 0 82 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.863 102.9 62.1 -68.0 -33.3 115.7 -12.5 44.3 101 102 A S H 3<5S+ 0 0 66 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.726 101.5 55.5 -63.6 -18.8 117.4 -11.8 40.9 102 103 A K T <<5S- 0 0 68 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.301 123.2-107.6 -94.9 7.6 114.3 -9.6 40.3 103 104 A G T < 5S+ 0 0 72 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.643 79.6 125.7 77.3 14.7 114.9 -7.6 43.4 104 105 A M < - 0 0 9 -5,-1.8 2,-0.4 -54,-0.0 -1,-0.3 -0.683 63.6-108.8-106.1 160.8 112.0 -9.1 45.3 105 106 A I E -d 50 0B 27 -56,-2.8 -54,-2.4 -2,-0.2 2,-0.5 -0.699 28.6-151.6 -88.0 135.9 111.8 -10.9 48.6 106 107 A F E +d 51 0B 1 -2,-0.4 2,-0.3 -56,-0.2 20,-0.3 -0.933 25.8 153.3-112.1 129.2 111.2 -14.6 48.6 107 108 A I E -d 52 0B 0 -56,-1.6 -54,-2.2 -2,-0.5 2,-0.3 -0.893 19.8-158.8-140.7 167.8 109.4 -16.4 51.4 108 109 A S E -d 53 0B 0 18,-0.5 20,-1.1 -2,-0.3 -54,-0.3 -0.997 21.4-115.8-153.9 151.9 107.4 -19.6 51.4 109 110 A T E -d 54 0B 3 -56,-2.5 -54,-3.2 -2,-0.3 2,-0.3 -0.776 29.7-149.2 -89.9 123.7 104.8 -21.4 53.5 110 111 A P E -d 55 0B 1 0, 0.0 20,-0.5 0, 0.0 -54,-0.1 -0.749 15.9-175.6 -92.4 142.2 106.0 -24.7 55.0 111 112 A F + 0 0 40 -56,-1.1 2,-0.3 -2,-0.3 -55,-0.1 0.237 67.2 24.5-117.7 11.1 103.5 -27.5 55.5 112 113 A S S > S- 0 0 4 -57,-0.2 4,-2.2 1,-0.1 -51,-0.1 -0.986 82.0 -99.6-164.2 169.1 105.9 -29.9 57.2 113 114 A R H > S+ 0 0 149 -53,-0.4 4,-2.1 -2,-0.3 5,-0.2 0.924 122.0 50.9 -60.9 -46.7 109.0 -30.4 59.3 114 115 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 108.8 52.2 -61.1 -36.1 111.0 -31.3 56.2 115 116 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.4 50.3 -66.1 -45.4 109.7 -28.2 54.4 116 117 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.882 110.5 49.6 -60.4 -41.3 110.8 -26.0 57.3 117 118 A L H X S+ 0 0 60 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.858 109.6 51.5 -68.3 -34.6 114.3 -27.5 57.3 118 119 A R H X S+ 0 0 24 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.915 110.8 48.0 -67.7 -42.2 114.6 -27.0 53.6 119 120 A L H X>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 4,-0.8 0.833 107.3 56.1 -67.9 -32.2 113.7 -23.4 53.9 120 121 A Q H <5S+ 0 0 85 -4,-1.8 3,-0.2 2,-0.2 -1,-0.2 0.895 106.9 49.6 -66.6 -38.7 116.2 -22.9 56.8 121 122 A R H <5S+ 0 0 152 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.2 50.2 -65.8 -37.3 119.0 -24.2 54.5 122 123 A M H <5S- 0 0 20 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.669 108.8-137.0 -72.6 -17.4 117.8 -21.7 51.8 123 124 A D T <5 - 0 0 96 -4,-0.8 -3,-0.2 -3,-0.2 -2,-0.1 0.950 25.9-168.5 61.5 56.4 117.9 -19.1 54.6 124 125 A I < - 0 0 0 -5,-1.3 -1,-0.1 1,-0.1 -17,-0.1 -0.443 26.7-124.5 -74.7 151.3 114.7 -17.2 53.9 125 126 A P S S+ 0 0 26 0, 0.0 -116,-0.4 0, 0.0 2,-0.3 0.627 87.4 8.0 -69.8 -17.1 114.2 -13.9 55.8 126 127 A A - 0 0 0 -20,-0.3 -18,-0.5 22,-0.2 2,-0.5 -0.979 68.3-128.8-162.7 152.9 110.8 -14.9 57.3 127 128 A Y E -e 150 0B 3 22,-2.2 24,-2.8 -2,-0.3 2,-0.4 -0.929 13.2-153.5-115.2 129.0 108.6 -17.9 57.7 128 129 A K E -e 151 0B 5 -20,-1.1 2,-0.5 -2,-0.5 24,-0.2 -0.810 6.4-164.7 -97.9 133.7 104.9 -18.1 56.9 129 130 A I E -e 152 0B 2 22,-2.8 24,-2.6 -2,-0.4 -18,-0.1 -0.980 18.0-136.2-119.9 119.1 102.7 -20.6 58.7 130 131 A G > - 0 0 10 -2,-0.5 3,-1.3 -20,-0.5 4,-0.4 -0.161 26.2-101.4 -71.4 166.2 99.3 -21.3 57.2 131 132 A S G > S+ 0 0 3 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.769 120.1 62.5 -58.8 -25.9 95.9 -21.5 58.9 132 133 A G G 3 S+ 0 0 38 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.830 110.6 37.8 -69.1 -30.8 96.1 -25.3 58.7 133 134 A E G X S+ 0 0 36 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.262 83.7 103.0-103.1 10.0 99.3 -25.4 60.8 134 135 A C T < S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.795 92.3 38.9 -62.3 -27.0 98.2 -22.6 63.2 135 136 A N T 3 S+ 0 0 81 -3,-0.3 2,-1.6 -4,-0.3 -1,-0.3 0.286 85.7 104.9-106.3 9.6 97.5 -25.4 65.8 136 137 A N <> + 0 0 55 -3,-1.3 4,-2.1 1,-0.2 3,-0.2 -0.634 46.5 174.0 -90.2 78.8 100.4 -27.6 64.9 137 138 A Y H > S+ 0 0 61 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.849 71.1 53.9 -57.3 -43.3 102.4 -26.7 68.0 138 139 A P H > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.925 111.8 46.1 -61.9 -39.6 105.3 -29.1 67.6 139 140 A L H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.894 111.1 52.4 -67.8 -39.0 105.9 -27.7 64.0 140 141 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.875 105.8 54.5 -64.8 -36.8 105.7 -24.1 65.3 141 142 A K H X S+ 0 0 117 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.913 108.9 49.7 -62.4 -41.3 108.2 -24.9 68.0 142 143 A L H < S+ 0 0 49 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.953 113.0 44.5 -61.9 -51.5 110.6 -26.1 65.3 143 144 A V H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 5,-0.4 0.884 109.3 55.7 -62.3 -41.1 110.2 -23.0 63.1 144 145 A A H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.825 97.0 64.9 -63.0 -29.9 110.5 -20.5 65.9 145 146 A S T 3< S+ 0 0 83 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.476 84.9 78.1 -72.9 1.0 113.8 -22.0 66.9 146 147 A F T < S- 0 0 26 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.726 99.8-127.4 -81.3 -23.4 115.1 -20.8 63.5 147 148 A G < + 0 0 53 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.605 67.9 114.2 89.4 11.2 115.5 -17.2 64.7 148 149 A K S S- 0 0 71 -5,-0.4 -1,-0.3 1,-0.1 -22,-0.2 -0.789 74.5 -89.4-113.1 157.4 113.5 -15.5 62.0 149 150 A P - 0 0 14 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.273 41.9-139.6 -63.0 152.6 110.3 -13.6 62.3 150 151 A I E -ef 127 176B 0 25,-1.9 27,-2.1 -24,-0.2 2,-0.6 -0.927 10.4-158.1-118.9 140.3 107.1 -15.6 61.8 151 152 A I E -ef 128 177B 0 -24,-2.8 -22,-2.8 -2,-0.4 2,-0.5 -0.968 19.8-168.0-116.3 113.1 103.9 -14.6 59.9 152 153 A L E -ef 129 178B 0 25,-3.1 27,-3.0 -2,-0.6 2,-0.3 -0.904 13.4-151.8-113.2 122.3 101.0 -16.7 61.2 153 154 A S E - f 0 179B 1 -24,-2.6 27,-0.2 -2,-0.5 28,-0.1 -0.653 7.8-162.6 -83.9 145.6 97.6 -17.0 59.6 154 155 A T > + 0 0 6 25,-2.4 3,-1.2 -2,-0.3 27,-0.1 0.087 33.9 138.8-121.0 23.9 94.8 -17.8 62.1 155 156 A G T 3 S+ 0 0 2 1,-0.2 -21,-0.2 24,-0.2 27,-0.2 -0.268 72.4 20.6 -65.0 157.4 91.9 -19.0 60.1 156 157 A M T 3 S+ 0 0 129 25,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.607 107.6 104.9 59.9 14.1 90.0 -22.0 61.5 157 158 A N < - 0 0 33 -3,-1.2 -1,-0.1 -23,-0.0 2,-0.1 -0.985 63.2-135.5-133.5 137.0 91.4 -21.2 65.0 158 159 A S > - 0 0 56 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.349 34.5-105.3 -79.7 163.4 89.9 -19.6 68.1 159 160 A I H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.914 120.5 52.9 -54.9 -44.6 91.8 -17.0 70.2 160 161 A E H > S+ 0 0 145 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.884 108.8 46.9 -61.9 -40.9 92.5 -19.6 72.9 161 162 A S H >> S+ 0 0 23 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.861 112.0 53.3 -69.5 -31.7 94.1 -22.1 70.5 162 163 A I H >X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 3,-0.7 0.867 96.3 66.0 -69.5 -37.1 96.1 -19.3 69.0 163 164 A K H 3X S+ 0 0 87 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.786 96.3 57.4 -56.4 -29.2 97.5 -18.2 72.4 164 165 A K H S+ 0 0 0 -4,-2.1 5,-1.3 2,-0.2 4,-0.8 0.907 112.0 46.2 -63.9 -44.8 106.8 -17.8 69.5 170 171 A R H ><5S+ 0 0 79 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.935 107.5 57.9 -62.9 -46.7 107.5 -15.4 72.3 171 172 A E H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.2 50.2 -50.6 -39.0 109.4 -18.1 74.2 172 173 A A H 3<5S- 0 0 47 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.711 110.1-128.8 -75.0 -21.4 111.7 -18.3 71.1 173 174 A G T <<5 + 0 0 64 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.682 59.9 133.0 83.4 18.7 112.2 -14.6 71.1 174 175 A V < - 0 0 14 -5,-1.3 -1,-0.3 -26,-0.1 -2,-0.1 -0.785 58.1-112.5-104.4 147.4 111.3 -13.8 67.5 175 176 A P - 0 0 57 0, 0.0 -25,-1.9 0, 0.0 2,-0.3 -0.362 41.4-171.3 -71.6 156.1 109.0 -11.1 66.3 176 177 A Y E -f 150 0B 7 30,-0.3 32,-1.9 -27,-0.2 2,-0.3 -0.971 22.3-144.5-149.8 165.1 105.7 -12.2 64.7 177 178 A A E -fg 151 208B 0 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.5 -0.951 11.6-148.7-129.1 147.3 102.6 -11.2 62.8 178 179 A L E -fg 152 209B 0 30,-3.0 32,-1.9 -2,-0.3 2,-0.5 -0.973 11.7-161.7-120.0 116.5 99.0 -12.6 63.1 179 180 A L E -fg 153 210B 0 -27,-3.0 -25,-2.4 -2,-0.5 32,-0.3 -0.868 14.4-137.0-101.4 124.8 96.9 -12.6 59.9 180 181 A H E + g 0 211B 11 30,-2.7 32,-3.0 -2,-0.5 2,-0.3 -0.490 38.3 169.3 -70.9 153.4 93.2 -12.9 60.3 181 182 A C - 0 0 1 30,-0.2 2,-0.4 -27,-0.1 -25,-0.3 -0.993 38.4-150.6-165.0 156.8 91.9 -15.3 57.7 182 183 A T - 0 0 18 30,-0.4 2,-1.3 -2,-0.3 32,-0.1 -0.976 23.8-146.3-133.8 116.2 88.9 -17.4 56.4 183 184 A N + 0 0 56 -2,-0.4 2,-0.3 2,-0.1 30,-0.0 -0.586 52.7 114.1 -94.2 78.9 90.0 -20.5 54.6 184 185 A I - 0 0 79 -2,-1.3 -2,-0.1 -112,-0.0 30,-0.0 -0.982 67.7-113.7-143.3 127.0 87.5 -21.2 51.8 185 186 A Y S S+ 0 0 51 -2,-0.3 2,-0.1 1,-0.2 30,-0.1 -0.840 108.6 12.1-105.3 100.9 88.3 -21.0 48.1 186 187 A P S S- 0 0 50 0, 0.0 29,-0.3 0, 0.0 -1,-0.2 0.602 89.1-151.0 -93.9 176.4 86.6 -18.7 47.4 187 188 A T - 0 0 6 27,-2.4 29,-0.4 -2,-0.1 2,-0.1 -0.903 13.5-131.7-109.6 127.4 85.3 -16.8 50.5 188 189 A P > - 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.413 25.8-114.1 -72.9 154.0 81.9 -14.9 50.5 189 190 A Y G > S+ 0 0 138 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.878 112.3 61.7 -52.3 -43.8 82.0 -11.3 51.8 190 191 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.693 100.6 52.5 -59.5 -23.3 79.7 -12.3 54.7 191 192 A D G < S+ 0 0 57 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.500 87.1 85.8 -92.7 -4.3 82.2 -14.8 56.2 192 193 A V < - 0 0 10 -3,-1.6 4,-0.2 -4,-0.4 -1,-0.2 0.906 62.4-172.5 -63.7 -46.7 85.1 -12.3 56.3 193 194 A R > - 0 0 144 -4,-0.5 3,-2.7 -3,-0.2 4,-0.2 0.954 6.3-167.8 51.0 65.7 84.4 -10.7 59.6 194 195 A L T >> S+ 0 0 45 1,-0.3 3,-2.1 2,-0.2 4,-0.5 0.776 79.7 77.6 -54.8 -24.4 87.0 -7.9 59.5 195 196 A G H >> S+ 0 0 37 1,-0.3 4,-1.9 2,-0.2 3,-0.7 0.736 74.6 78.4 -57.2 -21.7 86.3 -7.4 63.2 196 197 A G H <> S+ 0 0 11 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.797 84.3 61.6 -58.3 -28.9 88.5 -10.5 63.8 197 198 A M H <> S+ 0 0 6 -3,-2.1 4,-2.3 -4,-0.2 -1,-0.2 0.902 103.9 47.9 -64.7 -40.1 91.5 -8.3 63.3 198 199 A N H < + 0 0 2 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.3 -0.677 66.3 175.0-126.8 78.1 97.9 -10.1 71.4 205 206 A P T 3 S+ 0 0 89 0, 0.0 -201,-0.1 0, 0.0 -1,-0.1 0.620 78.2 56.5 -57.7 -17.1 99.1 -6.5 71.7 206 207 A D T 3 S+ 0 0 69 2,-0.1 -30,-0.3 -204,-0.0 2,-0.3 0.427 88.1 102.3 -96.4 1.8 102.7 -7.2 70.6 207 208 A A S < S- 0 0 1 -3,-2.0 2,-0.3 -6,-0.2 -30,-0.2 -0.643 72.1-128.6 -91.4 140.3 101.6 -8.7 67.3 208 209 A I E -g 177 0B 4 -32,-1.9 -30,-3.0 -2,-0.3 2,-0.4 -0.685 36.6-141.2 -77.5 137.2 101.8 -7.1 63.9 209 210 A I E +g 178 0B 8 -2,-0.3 21,-3.0 19,-0.3 22,-0.5 -0.849 33.6 141.4-110.4 143.9 98.3 -7.5 62.5 210 211 A G E -gh 179 231B 0 -32,-1.9 -30,-2.7 -2,-0.4 2,-0.4 -0.843 38.8-105.8-155.3-169.2 97.2 -8.3 58.9 211 212 A L E -gh 180 232B 2 20,-2.7 22,-1.6 -32,-0.3 2,-0.4 -0.999 9.4-160.4-138.9 135.2 94.8 -10.2 56.7 212 213 A S E - 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