==== 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 31-OCT-03 1R9X . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.D.MAHAN,G.C.IRETON,B.L.STODDARD,M.E.BLACK . 423 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 1 1 3 0 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 2 1 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 . 1 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 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 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 4 A A 0 0 102 0, 0.0 398,-0.1 0, 0.0 397,-0.1 0.000 360.0 360.0 360.0 155.0 40.3 45.1 98.4 2 5 A L + 0 0 42 396,-0.6 22,-0.2 1,-0.2 40,-0.2 -0.313 360.0 174.8 -57.8 133.0 40.7 42.3 101.0 3 6 A Q + 0 0 109 38,-3.3 18,-3.1 1,-0.3 2,-0.3 0.626 60.6 19.8-113.5 -21.5 43.8 40.2 100.4 4 7 A T E -Ab 20 42A 16 37,-1.7 39,-3.0 16,-0.2 2,-0.5 -1.000 49.2-149.6-153.7 149.7 43.8 37.9 103.4 5 8 A I E -Ab 19 43A 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.987 36.1-168.0-113.9 122.2 41.6 36.4 106.2 6 9 A I E + b 0 44A 3 37,-2.3 39,-2.7 -2,-0.5 40,-0.3 -0.758 52.7 21.9-116.4 163.1 43.9 35.8 109.2 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.0 1,-0.2 41,-0.4 0.875 79.9 164.1 54.3 45.6 43.7 33.9 112.6 8 11 A A E -A 17 0A 0 9,-2.6 9,-2.4 -3,-0.3 2,-0.3 -0.741 31.5-149.8 -98.4 139.1 40.9 31.6 111.3 9 12 A R B -e 49 0B 64 39,-2.5 41,-2.9 -2,-0.4 7,-0.1 -0.804 15.7-155.4 -98.9 147.2 39.9 28.4 113.0 10 13 A L > - 0 0 25 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.981 25.9-100.2-126.0 138.2 38.5 25.7 110.6 11 14 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.273 107.6 10.0 -56.3 137.5 36.1 22.9 111.6 12 15 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.441 110.8 101.4 74.7 -1.8 37.9 19.6 112.0 13 16 A E < - 0 0 110 -3,-2.1 -3,-0.3 2,-0.1 -1,-0.2 -0.869 66.0-131.4-116.0 150.2 41.3 21.3 111.9 14 17 A E + 0 0 179 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.582 64.7 6.2 -93.7 161.6 43.7 22.2 114.7 15 18 A G S S- 0 0 42 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.105 94.5 -46.9 71.0-165.1 45.3 25.6 115.1 16 19 A L E - C 0 32A 14 16,-0.6 16,-2.9 -7,-0.1 2,-0.3 -0.792 49.2-158.2-110.4 152.7 44.9 28.9 113.2 17 20 A W E -AC 8 31A 50 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.4 -0.940 12.3-142.7-135.0 154.1 44.9 29.4 109.5 18 21 A Q E - C 0 30A 37 12,-3.2 12,-2.5 -2,-0.3 2,-0.6 -0.954 12.9-157.5-116.0 129.9 45.4 32.2 106.9 19 22 A I E -AC 5 29A 0 -14,-3.0 -14,-2.2 -2,-0.4 2,-0.3 -0.930 10.3-152.0-113.0 110.3 43.2 32.3 103.8 20 23 A H E -AC 4 28A 46 8,-2.7 7,-2.4 -2,-0.6 8,-1.2 -0.649 11.2-159.0 -84.2 135.1 44.8 34.2 100.9 21 24 A L E + C 0 26A 14 -18,-3.1 2,-0.3 -2,-0.3 5,-0.2 -0.894 16.4 166.9-117.9 144.6 42.5 36.0 98.5 22 25 A Q E > - C 0 25A 123 3,-2.8 3,-1.5 -2,-0.4 -19,-0.1 -0.919 67.8 -6.7-158.6 128.4 43.1 37.1 94.9 23 26 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.867 128.0 -53.9 55.2 41.8 40.7 38.2 92.1 24 27 A G T 3 S+ 0 0 27 1,-0.2 347,-2.9 -22,-0.2 2,-0.3 0.578 121.7 96.1 73.0 9.1 37.6 37.4 94.2 25 28 A K E < S-CD 22 370A 115 -3,-1.5 -3,-2.8 345,-0.3 2,-0.6 -0.826 83.8-100.4-127.1 166.2 38.9 33.8 94.8 26 29 A I E -C 21 0A 2 343,-2.9 342,-3.1 340,-0.3 -5,-0.3 -0.783 35.2-179.7 -85.8 118.6 40.8 31.8 97.4 27 30 A S E - 0 0 54 -7,-2.4 2,-0.3 -2,-0.6 -6,-0.2 0.807 61.5 -15.0 -89.7 -33.2 44.3 31.5 96.1 28 31 A A E -C 20 0A 32 -8,-1.2 -8,-2.7 338,-0.1 2,-0.4 -0.983 48.9-142.3-167.1 157.4 45.8 29.5 99.0 29 32 A I E -C 19 0A 48 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.982 25.2-179.4-130.7 117.8 45.2 28.3 102.6 30 33 A D E -C 18 0A 78 -12,-2.5 -12,-3.2 -2,-0.4 2,-0.1 -0.937 25.5-120.7-122.7 142.6 48.2 28.2 104.9 31 34 A A E -C 17 0A 67 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.438 23.4-144.5 -76.4 151.2 48.5 27.1 108.6 32 35 A Q E -C 16 0A 18 -16,-2.9 -16,-0.6 -2,-0.1 3,-0.1 -0.843 9.1-151.0-111.8 153.0 49.8 29.6 111.1 33 36 A S S S- 0 0 139 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.435 80.6 -10.2-101.4 -1.3 52.0 28.6 114.1 34 37 A G S S- 0 0 37 -18,-0.1 2,-0.4 -19,-0.0 -27,-0.2 -0.921 100.6 -43.4-170.1-169.6 50.6 31.5 116.2 35 38 A V - 0 0 91 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.617 52.8-142.0 -80.6 131.3 48.5 34.7 116.0 36 39 A M - 0 0 73 -2,-0.4 2,-0.1 1,-0.1 -30,-0.1 -0.626 19.5-110.6 -91.1 147.7 49.2 37.0 113.1 37 40 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.488 33.2-116.9 -76.5 149.0 49.2 40.8 113.3 38 41 A I + 0 0 93 -2,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.347 42.7 161.6 -77.8 165.8 46.4 42.6 111.7 39 42 A T > - 0 0 65 3,-0.3 3,-1.9 -2,-0.1 5,-0.1 -0.970 45.3 -51.9-171.3 172.9 47.1 45.0 108.8 40 43 A E T 3 S+ 0 0 154 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.329 123.3 16.3 -59.3 135.3 45.6 46.9 105.9 41 44 A N T 3 S+ 0 0 72 1,-0.2 -38,-3.3 -39,-0.1 -37,-1.7 0.547 102.5 112.9 77.3 8.1 43.7 44.6 103.5 42 45 A S E < -b 4 0A 22 -3,-1.9 2,-0.6 -39,-0.2 -3,-0.3 -0.943 55.9-151.9-114.2 132.5 43.5 41.8 106.2 43 46 A L E -b 5 0A 16 -39,-3.0 -37,-2.3 -2,-0.4 2,-0.7 -0.920 18.0-141.9-102.9 119.9 40.3 40.7 107.8 44 47 A D E -b 6 0A 41 -2,-0.6 -37,-0.2 -39,-0.2 -39,-0.1 -0.739 16.7-170.6 -87.7 113.9 41.0 39.4 111.3 45 48 A A > - 0 0 5 -39,-2.7 3,-1.8 -2,-0.7 -38,-0.2 0.577 30.9-142.1 -75.5 -8.5 38.9 36.4 112.2 46 49 A E T 3 - 0 0 136 -40,-0.3 -39,-0.1 1,-0.3 -38,-0.1 0.856 66.0 -53.5 47.6 45.1 40.3 36.9 115.7 47 50 A Q T 3 S+ 0 0 81 -40,-2.0 -1,-0.3 -41,-0.2 -39,-0.2 0.712 108.2 136.1 65.0 22.2 40.5 33.1 116.3 48 51 A G < - 0 0 3 -3,-1.8 -39,-2.5 -41,-0.4 2,-0.4 -0.338 63.6 -85.1 -87.6 177.2 36.9 32.8 115.4 49 52 A L E -eF 9 376B 3 327,-2.0 327,-2.8 329,-0.6 2,-0.5 -0.713 35.7-158.1 -92.3 132.3 35.6 30.1 113.1 50 53 A V E + F 0 375B 1 -41,-2.9 325,-0.2 -2,-0.4 315,-0.1 -0.942 22.8 159.2-111.8 127.3 35.6 30.5 109.3 51 54 A I E - F 0 374B 4 323,-2.1 323,-2.9 -2,-0.5 3,-0.1 -0.920 46.5 -91.0-140.7 161.5 33.3 28.5 107.2 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.305 72.9 -66.0 -65.6 166.5 31.7 28.6 103.8 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.080 52.3-104.0 -56.0 150.6 28.4 30.4 103.8 54 57 A F E -i 113 0C 6 58,-2.2 60,-1.6 57,-0.1 61,-0.8 -0.382 39.6-144.9 -67.7 155.8 25.3 29.2 105.6 55 58 A V E -i 115 0C 0 295,-1.9 61,-0.2 58,-0.2 252,-0.1 -0.956 14.3-153.1-128.0 142.8 22.8 27.7 103.2 56 59 A E E +i 116 0C 0 59,-2.7 61,-2.7 -2,-0.4 3,-0.2 -0.897 17.9 176.5-113.4 96.8 19.0 27.7 103.2 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.2 0.621 68.9 29.3 -77.2 -12.0 18.0 24.5 101.3 58 61 A H E S+ 0 0 0 249,-0.2 252,-2.9 213,-0.1 251,-0.3 -0.757 70.9 131.7-155.2 103.7 14.2 24.9 101.9 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.6 -2,-0.3 2,-0.6 -0.965 44.7-132.4-145.9 159.2 12.2 28.0 102.3 60 63 A H >> + 0 0 18 250,-1.6 4,-1.0 -2,-0.3 3,-0.8 -0.844 25.0 172.4-115.9 91.5 9.0 29.5 100.9 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.4 43,-0.1 0.633 73.9 67.4 -74.1 -12.3 9.7 33.1 99.9 62 65 A D T 34 S+ 0 0 9 57,-0.6 -1,-0.2 1,-0.2 38,-0.1 0.769 111.6 31.2 -79.5 -20.9 6.3 33.5 98.3 63 66 A T T X4 S+ 0 0 15 -3,-0.8 3,-1.0 37,-0.1 -2,-0.2 0.527 92.3 121.2-109.5 -8.7 4.5 33.2 101.6 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.1 -0.140 70.1 19.2 -59.8 149.6 7.1 34.7 104.0 65 68 A Q T 3 S+ 0 0 23 247,-1.9 -1,-0.2 1,-0.1 249,-0.2 0.566 90.5 107.2 69.8 14.8 6.3 37.8 106.1 66 69 A T X + 0 0 1 -3,-1.0 3,-2.1 247,-0.3 248,-0.2 0.453 36.0 129.9-102.3 -0.9 2.5 37.5 105.9 67 70 A A T 3 S+ 0 0 10 246,-2.4 5,-0.1 1,-0.3 247,-0.0 -0.276 78.9 16.7 -54.9 134.3 1.7 36.3 109.4 68 71 A G T 3 S+ 0 0 19 3,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.516 89.2 153.6 81.5 5.0 -1.1 38.4 110.9 69 72 A Q S < S- 0 0 82 -3,-2.1 -1,-0.2 2,-0.3 19,-0.1 -0.928 85.9 -18.6-118.0 111.5 -2.2 39.9 107.6 70 73 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.977 147.0 2.8 -84.5 -17.6 -5.0 40.6 107.8 71 74 A N S S- 0 0 81 13,-0.3 -3,-0.6 0, 0.0 -2,-0.3 -0.871 73.6-110.0-126.0 160.0 -5.6 38.4 110.9 72 75 A W - 0 0 135 -2,-0.3 2,-1.0 -4,-0.3 -5,-0.1 -0.575 28.8-113.7 -88.7 152.2 -3.4 36.2 113.1 73 76 A N + 0 0 33 -2,-0.2 8,-0.1 1,-0.2 -1,-0.1 -0.756 38.3 178.9 -82.3 104.2 -3.5 32.4 113.2 74 77 A Q S S+ 0 0 153 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.826 75.7 45.3 -80.6 -33.2 -4.8 32.0 116.8 75 78 A S S S- 0 0 60 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.802 95.8-138.2 -79.4 -29.4 -5.0 28.2 116.9 76 79 A G + 0 0 18 1,-0.3 2,-0.1 239,-0.1 -2,-0.1 0.566 55.1 139.5 81.6 9.7 -1.6 27.7 115.3 77 80 A T > - 0 0 45 1,-0.1 4,-1.9 205,-0.0 -1,-0.3 -0.452 65.7-122.3 -88.5 159.4 -3.0 24.9 113.1 78 81 A L H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.939 112.8 55.9 -60.9 -46.8 -2.4 24.1 109.5 79 82 A F H > S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 109.4 43.6 -52.7 -51.5 -6.2 24.4 108.8 80 83 A E H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.841 107.8 61.4 -66.5 -31.3 -6.4 27.9 110.2 81 84 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.903 102.8 50.3 -60.5 -40.6 -3.3 28.9 108.4 82 85 A I H X S+ 0 0 92 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.921 112.0 47.8 -63.0 -43.4 -4.9 28.1 105.1 83 86 A E H X S+ 0 0 93 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.916 111.5 49.3 -64.5 -44.0 -7.9 30.2 106.0 84 87 A R H < S+ 0 0 44 -4,-2.9 4,-0.3 1,-0.2 -13,-0.3 0.863 111.1 50.0 -64.6 -36.2 -5.8 33.1 107.2 85 88 A W H >< S+ 0 0 64 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.907 106.2 55.8 -68.0 -41.0 -3.8 33.0 103.9 86 89 A A H >< S+ 0 0 61 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.786 99.7 61.1 -61.6 -27.7 -7.0 33.0 101.9 87 90 A E T 3< S+ 0 0 90 -4,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.613 100.2 55.0 -75.2 -11.9 -8.0 36.2 103.6 88 91 A R T X> S+ 0 0 15 -3,-1.7 3,-2.1 -4,-0.3 4,-0.6 0.328 72.5 113.3-101.9 5.3 -5.0 38.0 102.2 89 92 A K G X4 + 0 0 151 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.849 70.0 58.6 -43.0 -50.4 -5.8 37.1 98.6 90 93 A A G 34 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 105.0 51.7 -56.9 -23.9 -6.4 40.7 97.6 91 94 A L G <4 S+ 0 0 92 -3,-2.1 2,-1.3 1,-0.1 -1,-0.3 0.579 79.6 106.6 -91.2 -10.3 -2.9 41.7 98.6 92 95 A L << + 0 0 41 -3,-1.7 2,-0.3 -4,-0.6 36,-0.1 -0.559 48.6 138.7 -76.0 96.1 -1.1 39.0 96.6 93 96 A T > - 0 0 67 -2,-1.3 4,-2.3 1,-0.1 5,-0.2 -0.786 67.6 -96.7-130.3 173.6 0.5 40.9 93.8 94 97 A H H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.958 124.7 43.2 -54.6 -57.1 3.7 41.0 91.8 95 98 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.828 110.9 56.1 -61.3 -34.8 5.1 43.8 93.9 96 99 A D H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 108.0 47.2 -65.0 -44.1 3.9 42.3 97.2 97 100 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.922 113.6 48.4 -63.7 -43.8 5.7 39.0 96.6 98 101 A K H X S+ 0 0 34 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.912 111.1 50.5 -63.9 -41.3 8.9 40.9 95.6 99 102 A Q H X S+ 0 0 113 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 115.3 40.9 -62.7 -48.9 8.7 43.1 98.7 100 103 A R H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.906 114.1 51.8 -67.9 -42.7 8.2 40.3 101.2 101 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.934 110.7 49.6 -59.5 -45.4 10.8 38.0 99.5 102 105 A W H X S+ 0 0 51 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.863 105.8 57.0 -62.7 -35.3 13.3 40.7 99.7 103 106 A Q H X S+ 0 0 67 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.937 112.5 40.0 -62.2 -46.2 12.6 41.4 103.3 104 107 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.892 111.8 57.4 -70.3 -37.4 13.5 37.8 104.3 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.882 104.3 53.1 -60.6 -36.4 16.4 37.7 101.8 106 109 A K H X S+ 0 0 123 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.893 107.6 50.4 -66.1 -37.7 17.9 40.7 103.7 107 110 A W H X S+ 0 0 72 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.903 110.7 50.8 -64.1 -39.5 17.6 38.8 107.0 108 111 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.905 108.4 50.1 -65.2 -41.0 19.3 35.9 105.3 109 112 A I H ><5S+ 0 0 21 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.935 110.2 51.2 -61.7 -44.4 22.2 38.1 104.0 110 113 A A H 3<5S+ 0 0 43 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.789 108.3 54.4 -62.0 -27.6 22.6 39.5 107.5 111 114 A N T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 213,-0.3 0.080 121.2-104.7 -96.0 22.1 22.7 35.9 108.7 112 115 A G T < 5S+ 0 0 0 -3,-1.7 -58,-2.2 1,-0.2 2,-0.7 0.695 71.0 145.9 66.0 21.5 25.5 34.8 106.4 113 116 A I E < +i 54 0C 1 -5,-2.7 -1,-0.2 -60,-0.2 -58,-0.2 -0.825 13.2 162.9 -94.7 116.5 23.3 32.9 104.0 114 117 A Q E + 0 0 1 -60,-1.6 31,-2.7 -2,-0.7 2,-0.4 0.428 63.2 55.0-111.6 -2.0 24.6 33.1 100.5 115 118 A H E +ik 55 145C 10 -61,-0.8 -59,-2.7 29,-0.2 2,-0.4 -0.992 62.8 172.9-136.0 124.3 22.7 30.2 98.9 116 119 A V E -ik 56 146C 0 29,-2.0 31,-3.1 -2,-0.4 2,-0.6 -0.997 19.3-161.7-137.4 135.4 18.9 29.8 99.1 117 120 A R E - 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0 0 21 -3,-0.3 -3,-2.7 2,-0.1 -1,-0.3 -0.851 68.4-173.4-140.1 101.4 5.1 29.1 110.9 318 321 A P + 0 0 56 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.636 61.7 60.7 -72.1 -14.5 4.6 32.4 112.8 319 322 A L + 0 0 114 -6,-0.1 -6,-2.7 -8,-0.1 -5,-0.2 -0.140 57.0 94.0-103.1-164.3 8.2 32.7 114.0 320 323 A G - 0 0 15 -8,-0.2 -8,-0.1 1,-0.1 -3,-0.0 0.126 42.1-147.5 100.1 149.2 11.7 32.9 112.7 321 324 A T - 0 0 74 2,-0.1 3,-0.1 -214,-0.0 -1,-0.1 -0.021 62.8-101.2-133.1 20.4 14.4 35.4 111.8 322 325 A A S S+ 0 0 0 1,-0.2 2,-0.7 -11,-0.1 -211,-0.1 0.854 70.3 158.3 59.0 40.7 15.8 33.1 109.1 323 326 A N >> - 0 0 31 1,-0.1 4,-1.6 -14,-0.1 3,-0.7 -0.837 32.8-163.4-102.3 113.7 18.6 32.0 111.4 324 327 A M H 3> S+ 0 0 1 -2,-0.7 4,-2.8 -213,-0.3 5,-0.2 0.810 89.5 58.2 -67.1 -30.5 20.3 28.7 110.5 325 328 A L H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.819 107.1 50.9 -67.9 -26.5 22.0 28.3 113.9 326 329 A Q H <> S+ 0 0 70 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.892 109.7 48.3 -74.5 -40.9 18.5 28.5 115.4 327 330 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.941 113.0 49.2 -61.3 -46.9 17.2 25.8 113.0 328 331 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.919 106.6 55.8 -59.0 -45.7 20.2 23.7 113.8 329 332 A H H X S+ 0 0 70 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.927 110.1 45.4 -54.2 -47.2 19.6 24.1 117.6 330 333 A M H X S+ 0 0 60 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.942 112.7 50.9 -64.3 -45.9 16.1 22.8 117.3 331 334 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.897 107.0 52.7 -59.1 -42.5 17.1 19.9 115.1 332 335 A L H <>S+ 0 0 1 -4,-2.9 5,-2.4 2,-0.2 4,-0.3 0.899 113.8 44.5 -62.1 -38.4 19.9 18.7 117.4 333 336 A H H ><5S+ 0 0 82 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.960 117.1 41.5 -70.3 -52.7 17.4 18.7 120.3 334 337 A V H 3<5S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.869 119.7 44.6 -66.7 -33.5 14.5 16.9 118.6 335 338 A C T 3<5S- 0 0 19 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.459 108.5-126.3 -87.7 -1.0 16.7 14.5 116.8 336 339 A Q T < 5 + 0 0 108 -3,-0.9 2,-0.9 -4,-0.3 -3,-0.2 0.891 57.8 149.1 55.7 44.7 18.7 13.9 120.0 337 340 A L < + 0 0 7 -5,-2.4 -1,-0.2 -6,-0.3 9,-0.1 -0.632 23.9 132.6-102.1 66.5 22.1 14.6 118.4 338 341 A M + 0 0 91 -2,-0.9 -1,-0.2 -5,-0.1 2,-0.1 0.260 22.8 113.3-108.8 10.1 23.2 15.9 121.7 339 342 A G S > S- 0 0 32 -3,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.480 80.8-108.5 -75.8 157.0 26.6 14.3 122.2 340 343 A Y H > S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 119.3 42.4 -52.7 -51.7 29.5 16.7 122.1 341 344 A G H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 112.1 54.6 -64.4 -36.8 30.8 15.6 118.7 342 345 A Q H 4 S+ 0 0 72 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.900 113.1 42.8 -64.2 -40.2 27.3 15.4 117.3 343 346 A I H >< S+ 0 0 17 -4,-2.5 3,-1.3 2,-0.2 4,-0.3 0.940 114.4 49.9 -70.4 -46.9 26.6 19.0 118.3 344 347 A N H >< S+ 0 0 40 -4,-2.9 3,-0.8 1,-0.3 -2,-0.2 0.890 111.9 47.6 -58.6 -41.3 30.0 20.2 117.2 345 348 A D G >< S+ 0 0 98 -4,-2.7 3,-2.0 1,-0.2 4,-0.4 0.508 85.6 98.9 -78.0 -3.9 29.6 18.6 113.7 346 349 A G G X + 0 0 2 -3,-1.3 3,-1.8 1,-0.3 4,-0.4 0.790 63.9 73.4 -53.6 -33.1 26.1 20.1 113.6 347 350 A L G X S+ 0 0 6 -3,-0.8 3,-1.5 -4,-0.3 4,-0.5 0.787 84.3 68.3 -54.3 -28.5 27.4 22.9 111.4 348 351 A N G X >S+ 0 0 57 -3,-2.0 5,-2.2 1,-0.3 3,-0.9 0.858 90.7 62.2 -59.7 -33.3 27.6 20.4 108.5 349 352 A L G < 5S+ 0 0 4 -3,-1.8 -42,-2.6 -4,-0.4 -1,-0.3 0.648 113.3 33.7 -67.1 -16.8 23.8 20.2 108.5 350 353 A I G < 5S+ 0 0 0 -3,-1.5 -295,-1.9 -4,-0.4 -1,-0.2 0.243 130.8 26.0-122.8 11.5 23.6 23.9 107.6 351 354 A T T <>5S+ 0 0 3 -3,-0.9 4,-2.1 -4,-0.5 3,-0.4 0.238 124.0 18.0-131.6 -98.6 26.7 24.3 105.4 352 355 A H H >5S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.837 124.4 50.0 -52.5 -44.9 28.3 21.4 103.4 353 356 A H H > S+ 0 0 0 -6,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.843 107.5 55.6 -72.9 -33.5 23.1 21.7 102.3 355 358 A A H <>S+ 0 0 6 -4,-2.1 5,-2.5 2,-0.2 4,-0.2 0.904 108.2 49.2 -64.2 -39.3 25.5 22.8 99.5 356 359 A R H ><5S+ 0 0 121 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.911 107.0 55.5 -65.0 -40.9 25.5 19.2 98.3 357 360 A T H 3<5S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.7 45.7 -59.5 -35.6 21.7 19.2 98.4 358 361 A L T 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.395 111.5-124.4 -88.5 3.0 21.7 22.3 96.1 359 362 A N T < 5 - 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