==== 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 1R9Z . 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) . 19049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 71.4 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 . 37 8.7 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 . 35 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 26.7 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 2 2 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 . 2 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 0 106 0, 0.0 398,-0.1 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0 152.2 40.5 45.3 98.6 2 5 A L + 0 0 42 396,-0.5 40,-0.2 1,-0.1 3,-0.1 -0.314 360.0 175.9 -58.5 133.5 41.0 42.5 101.2 3 6 A Q + 0 0 113 38,-3.1 18,-3.0 1,-0.3 2,-0.3 0.628 60.9 18.9-112.6 -21.8 44.0 40.4 100.6 4 7 A T E -Ab 20 42A 17 37,-1.6 39,-2.8 16,-0.2 2,-0.5 -1.000 49.3-148.2-154.1 149.3 44.0 38.1 103.6 5 8 A I E -Ab 19 43A 0 14,-2.3 14,-2.8 -2,-0.3 2,-0.3 -0.985 36.7-167.6-111.8 122.5 41.9 36.6 106.3 6 9 A I E + b 0 44A 2 37,-2.2 39,-2.6 -2,-0.5 40,-0.3 -0.749 52.9 21.7-115.6 162.9 44.1 36.0 109.3 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.1 1,-0.2 41,-0.4 0.874 80.1 164.2 53.7 46.7 44.0 34.1 112.7 8 11 A A E -A 17 0A 0 9,-2.5 9,-2.3 -3,-0.3 2,-0.3 -0.741 31.2-149.6 -99.1 139.8 41.2 31.8 111.5 9 12 A R B -e 49 0B 70 39,-2.4 41,-2.9 -2,-0.4 7,-0.1 -0.802 15.0-156.5 -99.8 148.0 40.1 28.6 113.1 10 13 A L > - 0 0 25 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.980 27.5 -97.8-126.6 139.6 38.7 25.9 110.8 11 14 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.272 107.9 7.6 -56.5 137.0 36.4 23.0 111.7 12 15 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.446 109.4 107.2 72.6 -0.7 38.2 19.8 112.3 13 16 A E < - 0 0 108 -3,-2.1 -3,-0.3 2,-0.1 2,-0.2 -0.829 65.7-126.8-112.1 151.6 41.6 21.5 112.1 14 17 A E - 0 0 171 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.588 66.0 -5.5 -89.7 155.2 44.1 22.3 114.8 15 18 A G S S- 0 0 37 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.077 94.0 -40.9 68.4-161.0 45.5 25.8 115.2 16 19 A L E - C 0 32A 14 16,-0.6 16,-2.8 -7,-0.1 2,-0.3 -0.797 49.4-159.3-111.6 152.7 45.2 29.0 113.3 17 20 A W E -AC 8 31A 51 -9,-2.3 -9,-2.5 -2,-0.3 2,-0.4 -0.945 13.1-142.0-136.2 153.1 45.1 29.6 109.5 18 21 A Q E - C 0 30A 40 12,-3.0 12,-2.5 -2,-0.3 2,-0.6 -0.948 13.5-157.8-114.6 130.2 45.7 32.3 107.0 19 22 A I E -AC 5 29A 0 -14,-2.8 -14,-2.3 -2,-0.4 2,-0.4 -0.942 10.6-151.0-113.2 111.6 43.5 32.5 103.9 20 23 A H E -AC 4 28A 49 8,-3.1 7,-2.6 -2,-0.6 8,-1.1 -0.677 10.9-157.8 -86.4 134.4 45.0 34.4 101.0 21 24 A L E + C 0 26A 15 -18,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.891 17.0 166.0-116.1 142.3 42.7 36.2 98.6 22 25 A Q E > - C 0 25A 124 3,-2.7 3,-1.8 -2,-0.4 349,-0.1 -0.934 67.2 -8.3-156.8 129.4 43.2 37.3 95.0 23 26 A D T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.852 127.4 -53.4 53.3 41.3 40.9 38.4 92.2 24 27 A G T 3 S+ 0 0 28 1,-0.3 347,-3.0 374,-0.1 -1,-0.3 0.506 121.9 94.7 76.1 4.2 37.8 37.5 94.3 25 28 A K E < S-CD 22 370A 117 -3,-1.8 -3,-2.7 345,-0.3 2,-0.7 -0.762 84.2-100.8-123.0 168.3 39.0 33.9 94.9 26 29 A I E -C 21 0A 2 343,-2.8 342,-3.1 340,-0.3 -5,-0.3 -0.815 35.1-178.2 -88.3 118.4 40.9 32.0 97.6 27 30 A S E - 0 0 54 -7,-2.6 2,-0.3 -2,-0.7 -6,-0.2 0.839 60.9 -15.3 -87.9 -35.6 44.5 31.7 96.3 28 31 A A E -C 20 0A 33 -8,-1.1 -8,-3.1 339,-0.1 2,-0.4 -0.984 49.0-143.2-165.7 156.0 46.0 29.7 99.1 29 32 A I E -C 19 0A 48 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.991 25.0-179.3-128.9 121.3 45.5 28.6 102.7 30 33 A D E -C 18 0A 81 -12,-2.5 -12,-3.0 -2,-0.4 2,-0.1 -0.959 25.9-118.8-126.8 141.4 48.5 28.3 105.0 31 34 A A E -C 17 0A 67 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.423 23.7-145.3 -74.3 148.2 48.8 27.3 108.7 32 35 A Q E -C 16 0A 19 -16,-2.8 -16,-0.6 -2,-0.1 3,-0.1 -0.828 9.0-152.3-109.5 152.3 50.1 29.8 111.2 33 36 A S S S- 0 0 139 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.423 80.4 -5.4-102.1 -1.0 52.3 28.8 114.1 34 37 A G S S- 0 0 40 -18,-0.1 2,-0.4 -19,-0.0 -27,-0.2 -0.922 100.3 -48.4-167.6-172.1 51.0 31.7 116.2 35 38 A V - 0 0 94 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.628 53.1-140.5 -80.2 130.0 48.9 34.8 116.2 36 39 A M - 0 0 74 -2,-0.4 2,-0.2 1,-0.1 -30,-0.1 -0.608 18.6-111.2 -89.5 148.1 49.5 37.1 113.2 37 40 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.498 32.2-115.4 -78.1 148.9 49.5 40.9 113.5 38 41 A I + 0 0 98 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.352 43.4 161.1 -76.4 163.1 46.7 42.9 111.8 39 42 A T > - 0 0 68 3,-0.3 3,-1.9 -2,-0.1 5,-0.0 -0.966 46.2 -51.7-170.1 171.5 47.5 45.2 109.0 40 43 A E T 3 S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.296 123.3 15.4 -57.2 135.6 45.9 47.1 106.0 41 44 A N T 3 S+ 0 0 71 1,-0.2 -38,-3.1 -39,-0.1 -37,-1.6 0.558 100.8 115.0 75.8 10.0 43.9 44.8 103.8 42 45 A S E < -b 4 0A 22 -3,-1.9 2,-0.6 -39,-0.2 -3,-0.3 -0.946 54.8-152.0-113.1 130.5 43.8 42.0 106.4 43 46 A L E -b 5 0A 16 -39,-2.8 -37,-2.2 -2,-0.5 2,-0.7 -0.911 18.1-142.0-101.4 118.9 40.5 40.9 108.0 44 47 A D E -b 6 0A 40 -2,-0.6 -37,-0.2 -39,-0.2 -39,-0.1 -0.734 16.9-170.5 -87.4 112.9 41.2 39.6 111.4 45 48 A A > - 0 0 7 -39,-2.6 3,-1.5 -2,-0.7 -38,-0.2 0.603 30.8-142.0 -74.0 -11.1 39.1 36.6 112.4 46 49 A E T 3 - 0 0 143 -40,-0.3 -39,-0.1 1,-0.3 -38,-0.1 0.843 65.6 -53.7 51.1 42.6 40.5 37.0 115.9 47 50 A Q T 3 S+ 0 0 81 -40,-2.1 -1,-0.3 -41,-0.2 -39,-0.2 0.718 107.6 136.8 65.9 22.8 40.7 33.3 116.5 48 51 A G < - 0 0 3 -3,-1.5 -39,-2.4 -41,-0.4 2,-0.4 -0.367 63.2 -85.7 -88.1 175.0 37.1 33.0 115.5 49 52 A L E -eF 9 376B 3 327,-1.8 327,-2.9 329,-0.7 2,-0.5 -0.708 35.9-158.3 -90.9 130.2 35.7 30.2 113.3 50 53 A V E + F 0 375B 1 -41,-2.9 325,-0.2 -2,-0.4 315,-0.1 -0.934 22.7 159.0-110.6 127.0 35.8 30.7 109.5 51 54 A I E - F 0 374B 4 323,-2.0 323,-3.0 -2,-0.5 3,-0.1 -0.908 46.6 -91.1-140.2 162.5 33.4 28.6 107.4 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.332 72.4 -66.8 -67.3 165.9 31.9 28.7 104.0 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.074 51.6-103.6 -56.6 150.6 28.5 30.5 104.0 54 57 A F E -i 113 0C 6 58,-2.0 60,-1.6 57,-0.1 61,-0.8 -0.368 38.9-145.7 -66.4 156.6 25.4 29.3 105.8 55 58 A V E -i 115 0C 0 295,-1.9 61,-0.2 58,-0.2 252,-0.1 -0.962 13.6-153.0-128.8 141.1 22.8 27.8 103.4 56 59 A E E +i 116 0C 0 59,-2.7 61,-2.6 -2,-0.4 3,-0.2 -0.908 17.3 177.5-112.3 98.6 19.0 27.8 103.5 57 60 A P E + 0 0 0 0, 0.0 2,-0.2 0, 0.0 251,-0.1 0.614 68.7 29.6 -78.2 -11.3 18.0 24.7 101.5 58 61 A H E S+ 0 0 0 249,-0.1 252,-2.8 213,-0.1 2,-0.3 -0.753 70.1 134.1-155.8 103.2 14.2 25.0 102.1 59 62 A I E -ij 118 310C 0 58,-1.7 60,-2.6 -2,-0.2 2,-0.6 -0.968 43.8-133.9-144.1 157.3 12.2 28.2 102.5 60 63 A H >> + 0 0 17 250,-1.4 4,-0.9 -2,-0.3 3,-0.8 -0.830 26.1 171.1-113.6 89.1 8.9 29.7 101.2 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.3 43,-0.1 0.670 72.2 68.8 -72.1 -16.2 9.7 33.3 100.2 62 65 A D T 34 S+ 0 0 11 57,-0.6 -1,-0.2 1,-0.2 38,-0.1 0.790 111.0 30.9 -74.9 -22.5 6.3 33.7 98.6 63 66 A T T X4 S+ 0 0 15 -3,-0.8 3,-1.0 37,-0.1 -2,-0.2 0.507 91.8 123.5-109.4 -5.9 4.5 33.4 101.9 64 67 A T T 3< + 0 0 0 -4,-0.9 249,-0.2 1,-0.2 250,-0.1 -0.141 69.4 18.6 -61.0 148.8 7.1 35.0 104.2 65 68 A Q T 3 S+ 0 0 24 247,-1.9 -1,-0.2 1,-0.1 249,-0.2 0.585 90.0 109.2 71.4 15.3 6.3 38.0 106.5 66 69 A T X + 0 0 2 -3,-1.0 3,-1.9 247,-0.3 248,-0.3 0.396 34.5 130.8-102.3 2.1 2.5 37.7 106.3 67 70 A A T 3 S+ 0 0 10 246,-2.1 5,-0.2 1,-0.3 247,-0.0 -0.312 78.1 16.7 -57.6 136.4 1.7 36.5 109.8 68 71 A G T 3 S+ 0 0 19 3,-0.6 4,-0.3 1,-0.1 -1,-0.3 0.524 88.4 154.9 79.6 7.4 -1.1 38.6 111.3 69 72 A Q S < S- 0 0 78 -3,-1.9 -1,-0.1 2,-0.3 19,-0.1 -0.924 86.4 -20.7-118.2 110.2 -2.3 40.0 107.9 70 73 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.986 146.9 5.8 -85.2 -13.4 -5.1 40.8 108.2 71 74 A N S S- 0 0 81 13,-0.3 -3,-0.6 0, 0.0 -2,-0.3 -0.894 72.9-111.4-128.7 158.7 -5.6 38.5 111.2 72 75 A W - 0 0 137 -4,-0.3 2,-1.0 -2,-0.3 -5,-0.1 -0.591 27.8-115.6 -89.2 149.5 -3.4 36.3 113.4 73 76 A N + 0 0 33 -2,-0.2 8,-0.1 1,-0.2 -1,-0.1 -0.751 38.0 178.8 -80.9 106.6 -3.5 32.5 113.5 74 77 A Q S S+ 0 0 155 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.0 0.799 75.4 43.8 -85.0 -30.5 -4.7 32.1 117.1 75 78 A S S S- 0 0 60 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.761 96.5-137.5 -83.8 -25.6 -4.9 28.3 117.3 76 79 A G + 0 0 20 1,-0.3 -3,-0.1 239,-0.1 -2,-0.1 0.415 54.5 140.9 82.7 0.1 -1.6 27.9 115.5 77 80 A T > - 0 0 45 1,-0.1 4,-1.8 4,-0.0 -1,-0.3 -0.266 64.5-122.4 -77.1 161.0 -3.0 25.0 113.4 78 81 A L H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 112.8 55.9 -63.1 -45.9 -2.3 24.3 109.8 79 82 A F H > S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 109.9 43.2 -53.6 -51.2 -6.1 24.5 109.1 80 83 A E H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 109.0 59.8 -66.9 -32.3 -6.4 28.0 110.5 81 84 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.924 103.3 50.7 -60.7 -42.9 -3.2 29.0 108.8 82 85 A I H X S+ 0 0 92 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.905 111.7 48.5 -60.7 -41.1 -4.8 28.2 105.4 83 86 A E H X S+ 0 0 85 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.886 110.1 50.4 -67.6 -39.8 -7.8 30.3 106.3 84 87 A R H < S+ 0 0 47 -4,-2.6 4,-0.4 1,-0.2 -13,-0.3 0.869 109.8 50.8 -67.0 -36.4 -5.7 33.3 107.5 85 88 A W H >< S+ 0 0 57 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.912 106.1 55.9 -66.3 -41.5 -3.7 33.2 104.3 86 89 A A H >< S+ 0 0 62 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.822 99.8 59.8 -60.4 -32.1 -7.0 33.2 102.2 87 90 A E T 3< S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.620 102.6 53.9 -72.2 -11.9 -8.1 36.4 104.0 88 91 A R T X> S+ 0 0 13 -3,-1.7 3,-2.7 -4,-0.4 4,-0.5 0.425 72.9 111.3-100.8 -0.7 -5.1 38.1 102.6 89 92 A K G X4 + 0 0 155 -3,-1.2 3,-1.3 -4,-0.3 -1,-0.2 0.770 68.6 62.3 -44.7 -39.1 -5.7 37.2 99.0 90 93 A A G 34 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.721 103.4 51.4 -63.7 -20.0 -6.5 40.8 97.9 91 94 A L G <4 S+ 0 0 95 -3,-2.7 2,-1.4 1,-0.1 -1,-0.3 0.551 78.9 108.3 -94.0 -8.2 -3.0 41.9 98.9 92 95 A L << + 0 0 46 -3,-1.3 2,-0.2 -4,-0.5 -1,-0.1 -0.554 47.5 141.1 -76.8 93.4 -1.1 39.2 96.9 93 96 A T > - 0 0 66 -2,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.769 66.4 -98.4-126.4 170.9 0.4 41.1 94.1 94 97 A H H > S+ 0 0 57 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 124.3 43.4 -52.8 -55.8 3.7 41.2 92.1 95 98 A D H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.828 110.5 55.7 -63.4 -34.5 5.1 44.0 94.2 96 99 A D H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 108.2 47.7 -65.0 -44.8 3.9 42.5 97.5 97 100 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.931 113.3 48.3 -62.1 -45.0 5.7 39.2 96.8 98 101 A K H X S+ 0 0 32 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.4 49.9 -63.0 -42.1 8.9 41.1 95.9 99 102 A Q H X S+ 0 0 112 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.928 115.3 41.9 -62.8 -47.2 8.8 43.3 99.0 100 103 A R H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.908 113.8 51.2 -69.0 -41.7 8.3 40.4 101.4 101 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.935 110.8 49.8 -60.8 -45.0 10.8 38.1 99.8 102 105 A W H X S+ 0 0 50 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.849 105.4 57.4 -62.9 -34.7 13.4 40.9 99.9 103 106 A Q H X S+ 0 0 68 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.941 112.2 40.2 -62.4 -45.7 12.7 41.6 103.6 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.898 111.7 57.1 -70.2 -38.2 13.5 38.0 104.5 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.883 104.2 53.4 -60.0 -37.0 16.5 37.9 102.1 106 109 A K H X S+ 0 0 123 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 107.6 50.1 -65.6 -38.0 18.0 40.9 103.9 107 110 A W H X S+ 0 0 72 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.911 111.0 50.9 -63.5 -39.6 17.7 39.0 107.2 108 111 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.917 108.4 49.8 -64.3 -43.4 19.4 36.1 105.5 109 112 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.939 110.7 51.1 -59.0 -45.1 22.3 38.3 104.2 110 113 A A H 3<5S+ 0 0 42 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.791 108.3 54.0 -60.6 -30.1 22.7 39.6 107.7 111 114 A N T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -3,-0.2 213,-0.3 0.093 121.2-104.8 -94.5 20.6 22.8 36.0 109.0 112 115 A G T < 5S+ 0 0 0 -3,-1.7 -58,-2.0 1,-0.2 2,-0.6 0.688 70.8 145.9 68.0 20.9 25.6 35.0 106.6 113 116 A I E < +i 54 0C 1 -5,-2.6 -1,-0.2 -60,-0.2 -58,-0.2 -0.824 13.9 163.6 -94.8 117.7 23.4 33.0 104.2 114 117 A Q E + 0 0 1 -60,-1.6 31,-2.5 -2,-0.6 2,-0.4 0.406 63.4 54.7-112.4 0.1 24.7 33.3 100.6 115 118 A H E +ik 55 145C 10 -61,-0.8 -59,-2.7 29,-0.2 2,-0.4 -0.993 62.5 172.7-138.4 125.2 22.7 30.3 99.1 116 119 A V E -ik 56 146C 0 29,-2.0 31,-3.0 -2,-0.4 2,-0.6 -0.999 19.3-160.8-138.8 135.7 19.0 30.0 99.3 117 120 A R E - 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0 0 53 -3,-1.5 -3,-0.2 -4,-0.2 2,-0.1 0.834 42.1-175.2 56.2 38.6 24.3 20.7 94.0 360 363 A L < - 0 0 34 -5,-2.4 3,-0.2 -6,-0.1 -1,-0.2 -0.409 21.5-168.6 -69.7 138.0 26.7 23.7 94.4 361 364 A Q S S+ 0 0 159 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.459 79.3 47.8-104.8 -6.1 29.9 23.7 92.4 362 365 A D S S+ 0 0 60 7,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.731 80.7 119.4-138.0 82.6 31.8 26.6 94.1 363 366 A Y + 0 0 33 -2,-0.3 2,-0.1 -3,-0.2 6,-0.0 -0.966 38.5 50.2-153.3 131.0 31.5 26.1 97.8 364 367 A G S S- 0 0 10 8,-0.3 2,-1.5 -2,-0.3 8,-0.2 -0.297 84.2 -76.7 122.8 152.2 34.1 25.6 100.6 365 368 A I S S+ 0 0 32 -2,-0.1 2,-0.3 -315,-0.1 6,-0.1 -0.675 82.1 125.8 -83.2 89.4 37.3 27.1 101.9 366 369 A A > - 0 0 43 -2,-1.5 3,-2.0 4,-0.2 -340,-0.3 -0.994 68.8 -90.5-147.4 147.1 39.6 25.7 99.3 367 370 A A T 3 S+ 0 0 65 -2,-0.3 -340,-0.2 1,-0.2 3,-0.1 -0.327 112.7 27.7 -58.9 134.5 42.1 27.2 96.8 368 371 A G T 3 S+ 0 0 51 -342,-3.1 -1,-0.2 1,-0.4 2,-0.1 0.108 95.7 113.1 100.8 -22.3 40.5 28.1 93.5 369 372 A N S < S- 0 0 35 -3,-2.0 -343,-2.8 -343,-0.2 -1,-0.4 -0.429 80.1 -89.6 -81.4 158.2 37.0 28.7 95.0 370 373 A S B -D 25 0A 34 -345,-0.2 2,-2.3 1,-0.1 -345,-0.3 -0.348 46.4-105.1 -62.1 148.1 35.3 32.1 95.1 371 374 A A + 0 0 0 -347,-3.0 27,-2.2 -3,-0.1 2,-0.6 -0.477 69.0 142.8 -79.9 72.7 36.2 34.0 98.3 372 375 A N + 0 0 20 -2,-2.3 -8,-0.3 24,-0.2 2,-0.3 -0.967 21.8 128.8-115.3 113.7 32.8 33.4 99.9 373 376 A L E - 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