==== 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 1RA0 . 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) . 18016.0 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 . 43 10.2 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 . 1 0.2 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 . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 27.2 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 0 1 1 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 1 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 0 102 0, 0.0 398,-0.1 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0 159.7 40.4 45.2 98.9 2 5 A L + 0 0 41 396,-0.6 40,-0.2 1,-0.1 3,-0.1 -0.257 360.0 176.9 -57.4 136.6 41.0 42.4 101.4 3 6 A Q + 0 0 112 38,-3.4 18,-3.0 1,-0.3 2,-0.3 0.613 62.0 18.5-114.4 -21.6 44.0 40.3 100.8 4 7 A T E -Ab 20 42A 19 37,-1.7 39,-2.9 16,-0.2 2,-0.5 -1.000 49.7-147.5-154.4 149.0 43.9 37.9 103.8 5 8 A I E -Ab 19 43A 0 14,-2.1 14,-2.9 -2,-0.3 2,-0.3 -0.988 37.1-167.9-111.2 123.8 41.7 36.4 106.6 6 9 A I E + b 0 44A 2 37,-2.3 39,-2.7 -2,-0.5 40,-0.3 -0.752 52.6 23.0-116.5 162.6 44.0 35.8 109.6 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.1 1,-0.2 41,-0.4 0.861 79.8 163.9 55.1 45.0 43.8 34.0 112.9 8 11 A A E -A 17 0A 0 9,-2.5 9,-2.2 -3,-0.2 2,-0.3 -0.741 31.6-151.0 -98.7 137.5 41.0 31.6 111.7 9 12 A R B -e 49 0B 67 39,-2.6 41,-2.9 -2,-0.4 7,-0.1 -0.801 15.8-156.4 -97.5 147.6 40.0 28.4 113.3 10 13 A L > - 0 0 24 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.982 26.5 -99.5-126.6 137.3 38.5 25.8 110.9 11 14 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.253 107.5 10.4 -55.2 138.6 36.2 22.9 111.9 12 15 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.489 109.9 102.7 72.7 2.2 38.0 19.6 112.3 13 16 A E < - 0 0 109 -3,-2.1 -3,-0.3 2,-0.1 -1,-0.2 -0.891 66.4-128.7-118.8 149.6 41.4 21.3 112.2 14 17 A E + 0 0 174 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.550 65.8 0.1 -89.6 159.4 43.8 22.1 115.0 15 18 A G S S- 0 0 36 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.080 94.2 -43.5 69.1-161.7 45.4 25.5 115.5 16 19 A L E - C 0 32A 14 16,-0.6 16,-2.9 -7,-0.1 2,-0.3 -0.815 48.9-161.0-112.6 153.3 45.0 28.8 113.5 17 20 A W E -AC 8 31A 51 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.4 -0.947 13.1-142.6-137.3 152.8 45.0 29.4 109.8 18 21 A Q E - C 0 30A 37 12,-3.0 12,-2.5 -2,-0.3 2,-0.6 -0.950 12.8-156.0-116.3 131.9 45.5 32.2 107.3 19 22 A I E -AC 5 29A 0 -14,-2.9 -14,-2.1 -2,-0.4 2,-0.3 -0.938 11.0-151.1-113.4 110.4 43.4 32.4 104.1 20 23 A H E -AC 4 28A 46 8,-2.8 7,-2.4 -2,-0.6 8,-1.1 -0.644 11.3-157.0 -84.0 136.3 45.0 34.3 101.3 21 24 A L E + C 0 26A 15 -18,-3.0 2,-0.3 -2,-0.3 5,-0.2 -0.903 17.2 167.4-118.0 143.3 42.7 36.0 98.8 22 25 A Q E > - C 0 25A 125 3,-2.7 3,-1.9 -2,-0.4 349,-0.1 -0.945 68.2 -8.9-155.7 129.5 43.3 37.1 95.2 23 26 A D T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.843 127.7 -52.9 51.8 41.2 40.9 38.3 92.5 24 27 A G T 3 S+ 0 0 26 1,-0.3 347,-2.9 374,-0.1 -1,-0.3 0.539 121.9 95.9 75.8 6.9 37.8 37.4 94.5 25 28 A K E < S-CD 22 370A 105 -3,-1.9 -3,-2.7 345,-0.3 2,-0.6 -0.784 83.6-101.2-124.8 167.3 39.0 33.9 95.1 26 29 A I E -C 21 0A 2 343,-2.7 342,-3.1 340,-0.3 -5,-0.3 -0.808 34.8-179.0 -88.0 119.0 40.9 31.9 97.8 27 30 A S E - 0 0 56 -7,-2.4 2,-0.3 -2,-0.6 -6,-0.2 0.816 61.1 -13.8 -90.0 -33.3 44.5 31.6 96.5 28 31 A A E -C 20 0A 32 -8,-1.1 -8,-2.8 338,-0.1 2,-0.4 -0.983 49.0-143.2-166.1 157.1 46.0 29.6 99.4 29 32 A I E -C 19 0A 49 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.992 25.5-179.7-130.0 120.2 45.4 28.4 102.9 30 33 A D E -C 18 0A 81 -12,-2.5 -12,-3.0 -2,-0.4 2,-0.1 -0.959 25.8-119.4-126.2 141.9 48.4 28.2 105.3 31 34 A A E -C 17 0A 67 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.419 22.9-146.5 -75.0 150.8 48.7 27.1 108.9 32 35 A Q E -C 16 0A 18 -16,-2.9 -16,-0.6 -2,-0.1 3,-0.1 -0.848 9.3-152.1-111.8 152.5 49.9 29.6 111.5 33 36 A S S S- 0 0 140 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.384 80.1 -6.2-103.4 1.1 52.0 28.6 114.6 34 37 A G S S- 0 0 38 -18,-0.1 2,-0.3 -19,-0.0 -27,-0.2 -0.932 100.7 -45.7-169.8-171.8 50.7 31.5 116.6 35 38 A V - 0 0 92 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.597 52.7-141.4 -78.9 130.8 48.6 34.7 116.5 36 39 A M - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 -30,-0.1 -0.626 18.8-111.5 -90.9 147.8 49.3 37.0 113.5 37 40 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.489 31.9-116.7 -77.5 149.7 49.3 40.8 113.7 38 41 A I + 0 0 98 -2,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.329 39.8 164.4 -77.9 166.4 46.5 42.7 112.0 39 42 A T > - 0 0 92 3,-0.3 3,-1.8 -2,-0.1 2,-0.0 -0.942 47.5 -63.5-171.0 165.6 47.2 45.1 109.2 40 43 A E T 3 S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.382 122.5 24.1 -63.4 139.5 45.3 47.0 106.5 41 44 A N T 3 S+ 0 0 55 1,-0.2 -38,-3.4 -39,-0.1 -37,-1.7 0.429 100.6 107.8 84.1 0.7 43.7 44.6 104.0 42 45 A S E < -b 4 0A 18 -3,-1.8 2,-0.6 -39,-0.2 -3,-0.3 -0.948 59.1-151.9-110.8 127.1 43.7 41.8 106.6 43 46 A L E -b 5 0A 16 -39,-2.9 -37,-2.3 -2,-0.5 2,-0.7 -0.896 17.8-141.2 -98.6 119.9 40.4 40.8 108.1 44 47 A D E -b 6 0A 40 -2,-0.6 -37,-0.2 -39,-0.2 -39,-0.1 -0.738 17.5-170.3 -88.0 112.9 41.1 39.4 111.6 45 48 A A > - 0 0 7 -39,-2.7 3,-1.6 -2,-0.7 -38,-0.2 0.587 31.0-141.9 -74.3 -10.3 38.9 36.4 112.6 46 49 A E T 3 - 0 0 140 -40,-0.3 -39,-0.1 1,-0.3 -38,-0.1 0.830 65.7 -53.7 51.5 41.0 40.3 36.9 116.1 47 50 A Q T 3 S+ 0 0 81 -40,-2.1 -1,-0.3 -41,-0.2 -39,-0.2 0.715 108.9 132.9 66.9 22.8 40.6 33.1 116.7 48 51 A G < - 0 0 3 -3,-1.6 -39,-2.6 -41,-0.4 2,-0.4 -0.344 65.0 -82.6 -89.8 179.1 36.9 32.7 115.8 49 52 A L E -eF 9 376B 3 327,-1.9 327,-2.9 329,-0.7 2,-0.5 -0.720 34.9-158.5 -93.6 130.4 35.6 30.1 113.4 50 53 A V E + F 0 375B 1 -41,-2.9 325,-0.2 -2,-0.4 315,-0.1 -0.940 23.1 160.4-110.7 125.4 35.8 30.6 109.6 51 54 A I E - F 0 374B 4 323,-2.1 323,-2.9 -2,-0.5 3,-0.1 -0.897 46.1 -93.0-138.1 160.7 33.4 28.5 107.5 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.345 72.7 -66.2 -66.3 166.7 31.9 28.6 104.1 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.066 51.3-103.4 -57.4 150.7 28.5 30.4 104.1 54 57 A F E -i 113 0C 5 58,-1.9 60,-1.7 57,-0.1 61,-0.8 -0.373 39.3-146.2 -65.2 156.2 25.4 29.2 105.8 55 58 A V E -i 115 0C 0 295,-1.8 61,-0.2 58,-0.2 252,-0.1 -0.959 14.1-152.5-128.5 142.2 22.8 27.7 103.4 56 59 A E E +i 116 0C 0 59,-2.7 61,-2.7 -2,-0.4 3,-0.2 -0.906 18.0 176.8-112.6 97.5 19.0 27.7 103.5 57 60 A P E + 0 0 0 0, 0.0 2,-0.2 0, 0.0 251,-0.1 0.611 69.1 29.6 -78.1 -10.6 18.1 24.6 101.6 58 61 A H E S+ 0 0 0 249,-0.1 252,-2.8 213,-0.1 251,-0.3 -0.756 70.9 131.6-156.1 102.7 14.3 24.9 102.1 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.8 -2,-0.2 2,-0.6 -0.952 44.7-132.9-143.8 160.4 12.3 28.1 102.5 60 63 A H >> + 0 0 6 250,-1.5 4,-1.0 -2,-0.3 3,-0.6 -0.846 25.2 172.3-116.7 91.5 9.1 29.5 101.1 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.5 43,-0.1 0.639 75.8 62.9 -74.7 -13.6 9.8 33.2 100.1 62 65 A D T 34 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.776 113.1 34.3 -80.9 -21.9 6.4 33.5 98.4 63 66 A T T X4 S+ 0 0 2 -3,-0.6 3,-1.5 37,-0.1 -2,-0.2 0.551 89.2 124.2-105.1 -11.2 4.5 32.9 101.6 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.2 -0.178 76.4 14.9 -58.1 139.7 7.0 34.6 104.0 65 68 A Q T 3 S+ 0 0 26 247,-1.9 -1,-0.2 248,-0.3 249,-0.2 0.603 98.0 103.5 73.4 15.1 5.6 37.4 106.3 66 69 A T X + 0 0 1 -3,-1.5 3,-2.4 247,-0.6 248,-0.2 0.357 37.5 140.4-108.3 7.1 1.9 36.4 105.6 67 70 A A T 3 S+ 0 0 6 246,-2.1 5,-0.1 1,-0.3 247,-0.1 -0.235 76.0 17.1 -52.4 133.0 1.0 34.6 108.8 68 71 A G T 3 S+ 0 0 18 3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.424 90.6 155.6 84.8 -0.2 -2.6 35.6 109.8 69 72 A Q S < S- 0 0 83 -3,-2.4 -1,-0.2 1,-0.3 19,-0.1 -0.908 83.8 -20.8-112.1 114.7 -3.5 36.9 106.4 70 73 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.986 144.7 -1.0 -86.4 -9.6 -6.4 36.9 105.9 71 74 A N S S- 0 0 83 13,-0.2 -3,-0.6 0, 0.0 2,-0.2 -0.927 70.8-109.5-137.2 160.8 -6.8 34.2 108.6 72 75 A W - 0 0 131 -2,-0.3 2,-1.5 -4,-0.3 3,-0.1 -0.618 30.0-113.3 -91.3 150.9 -4.6 32.2 111.1 73 76 A N - 0 0 22 -2,-0.2 3,-0.2 1,-0.2 8,-0.1 -0.695 39.9-178.1 -81.1 92.6 -3.9 28.5 110.8 74 77 A Q S S+ 0 0 145 -2,-1.5 -1,-0.2 1,-0.2 7,-0.0 0.875 73.7 46.6 -64.6 -42.3 -5.7 27.6 114.0 75 78 A S S S- 0 0 47 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.693 97.8-132.6 -77.1 -18.2 -5.0 23.9 114.1 76 79 A G + 0 0 3 1,-0.2 2,-0.3 -3,-0.2 206,-0.1 0.866 59.7 135.1 68.5 35.5 -1.3 24.2 113.4 77 80 A T > - 0 0 13 1,-0.1 4,-2.0 205,-0.1 -1,-0.2 -0.787 68.2-120.7-116.0 160.3 -1.4 21.5 110.8 78 81 A L H > S+ 0 0 9 201,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.918 112.7 53.1 -60.3 -44.5 -0.0 21.2 107.3 79 82 A F H > S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 110.5 42.6 -62.4 -47.3 -3.5 20.7 105.9 80 83 A E H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 110.6 59.8 -68.7 -33.1 -5.1 23.8 107.4 81 84 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 103.7 49.5 -58.6 -42.5 -1.9 25.7 106.5 82 85 A I H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.879 111.6 49.5 -64.5 -36.7 -2.5 24.9 102.8 83 86 A E H X S+ 0 0 120 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.909 112.0 47.0 -68.5 -42.1 -6.1 26.1 103.1 84 87 A R H X S+ 0 0 41 -4,-2.8 4,-1.5 1,-0.2 -13,-0.2 0.884 112.2 51.1 -66.1 -38.8 -5.1 29.4 104.7 85 88 A W H X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.2 5,-0.2 0.896 103.1 59.0 -65.4 -39.7 -2.4 29.8 102.1 86 89 A A H X S+ 0 0 36 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.895 104.9 51.0 -56.1 -39.2 -4.9 29.3 99.3 87 90 A E H < S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.3 42.8 -65.1 -39.4 -6.8 32.2 100.7 88 91 A R H >< S+ 0 0 20 -4,-1.5 3,-1.7 1,-0.2 4,-0.2 0.850 106.2 62.0 -75.0 -35.6 -3.7 34.4 100.7 89 92 A K H >< S+ 0 0 19 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.841 96.6 60.0 -59.5 -33.3 -2.6 33.2 97.2 90 93 A A T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.663 105.8 49.5 -69.6 -14.1 -5.8 34.6 95.7 91 94 A L T < S+ 0 0 105 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.324 83.2 131.6-106.0 4.7 -4.7 38.1 97.0 92 95 A L < - 0 0 20 -3,-1.3 2,-0.3 -4,-0.2 3,-0.1 -0.244 30.6-176.9 -63.3 144.5 -1.1 38.0 95.6 93 96 A T > - 0 0 76 1,-0.1 4,-2.3 35,-0.0 5,-0.2 -0.957 36.5-114.0-135.7 155.1 0.4 40.9 93.6 94 97 A H H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.931 116.6 42.7 -51.8 -55.3 3.8 41.1 92.0 95 98 A D H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 109.4 59.4 -65.3 -33.5 5.1 43.9 94.3 96 99 A D H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.948 109.3 43.3 -57.7 -51.9 3.6 42.2 97.4 97 100 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.928 113.9 50.0 -63.3 -46.2 5.7 39.1 96.7 98 101 A K H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.913 111.1 48.9 -61.8 -42.2 8.9 41.0 95.9 99 102 A Q H X S+ 0 0 138 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.930 114.7 43.2 -64.7 -45.6 8.7 43.2 99.0 100 103 A R H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.922 114.2 50.4 -67.5 -42.6 8.1 40.3 101.4 101 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.934 111.0 49.5 -60.4 -45.9 10.8 38.0 99.8 102 105 A W H X S+ 0 0 51 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.851 105.7 57.5 -62.7 -35.1 13.3 40.9 99.9 103 106 A Q H X S+ 0 0 88 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.952 112.5 39.8 -61.4 -47.1 12.6 41.5 103.6 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.897 111.5 57.5 -70.0 -37.6 13.4 37.9 104.5 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.881 103.8 53.5 -60.2 -37.6 16.4 37.8 102.1 106 109 A K H X S+ 0 0 130 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.896 107.3 50.4 -64.7 -38.5 17.9 40.8 104.0 107 110 A W H X S+ 0 0 86 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.904 110.9 51.0 -62.9 -39.2 17.6 38.9 107.3 108 111 A Q H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.918 108.4 49.4 -65.3 -42.9 19.3 36.0 105.6 109 112 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.935 110.5 51.6 -59.9 -44.5 22.2 38.2 104.3 110 113 A A H 3<5S+ 0 0 43 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.793 108.1 54.2 -60.3 -29.9 22.6 39.5 107.8 111 114 A N T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -3,-0.2 213,-0.3 0.102 121.1-105.3 -94.1 19.1 22.7 35.9 109.0 112 115 A G T < 5S+ 0 0 0 -3,-1.7 -58,-1.9 1,-0.2 2,-0.6 0.688 70.4 146.2 68.2 21.5 25.6 34.9 106.7 113 116 A I E < +i 54 0C 1 -5,-2.6 -1,-0.2 -60,-0.2 -58,-0.2 -0.822 13.7 163.6 -94.9 117.1 23.4 32.9 104.3 114 117 A Q E + 0 0 1 -60,-1.7 31,-2.5 -2,-0.6 2,-0.4 0.420 63.4 54.4-111.8 -0.8 24.7 33.2 100.7 115 118 A H E +ik 55 145C 8 -61,-0.8 -59,-2.7 29,-0.2 2,-0.4 -0.994 62.6 172.9-137.5 125.3 22.8 30.2 99.2 116 119 A V E -ik 56 146C 0 29,-2.1 31,-3.0 -2,-0.4 2,-0.6 -0.999 19.7-160.7-138.6 134.5 19.0 29.9 99.4 117 120 A R E - 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0 0 20 -8,-0.2 -8,-0.1 -2,-0.1 -3,-0.0 0.105 39.3-151.1 105.2 146.0 11.6 33.1 112.9 321 324 A T - 0 0 72 2,-0.1 -1,-0.1 -214,-0.0 -9,-0.1 0.012 62.2-103.8-130.1 18.8 14.4 35.5 112.1 322 325 A A + 0 0 0 1,-0.2 2,-0.6 -11,-0.1 -211,-0.1 0.855 68.4 158.4 58.7 41.3 15.8 33.2 109.3 323 326 A N >> - 0 0 33 1,-0.1 4,-1.6 -14,-0.1 3,-0.6 -0.839 32.8-163.6-102.5 113.0 18.6 32.1 111.7 324 327 A M H 3> S+ 0 0 2 -2,-0.6 4,-2.8 -213,-0.3 5,-0.2 0.817 89.3 58.0 -67.7 -31.8 20.3 28.8 110.8 325 328 A L H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 107.2 50.5 -66.1 -27.9 22.0 28.3 114.2 326 329 A Q H <> S+ 0 0 68 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.882 110.0 48.8 -73.8 -40.3 18.5 28.5 115.7 327 330 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.943 112.6 49.3 -60.5 -47.8 17.2 25.9 113.3 328 331 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.918 106.9 55.0 -58.2 -46.3 20.2 23.7 114.2 329 332 A H H X S+ 0 0 68 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.926 109.9 46.4 -54.7 -47.2 19.6 24.1 117.9 330 333 A M H X S+ 0 0 61 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.947 112.9 49.8 -63.1 -46.3 16.1 22.8 117.6 331 334 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.888 107.2 53.0 -60.3 -41.9 17.1 19.9 115.4 332 335 A L H <>S+ 0 0 1 -4,-2.8 5,-2.2 2,-0.2 4,-0.2 0.894 113.9 44.3 -62.7 -37.9 19.9 18.7 117.7 333 336 A H H ><5S+ 0 0 82 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.964 117.1 41.8 -70.2 -53.0 17.4 18.7 120.7 334 337 A V H 3<5S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.885 119.3 44.9 -66.0 -36.1 14.5 17.0 118.9 335 338 A C T 3<5S- 0 0 19 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.431 108.6-125.3 -84.9 -0.9 16.7 14.4 117.1 336 339 A Q T < 5 + 0 0 107 -3,-1.0 2,-1.1 -4,-0.2 -3,-0.2 0.869 58.5 149.1 56.3 42.2 18.7 13.8 120.3 337 340 A L < + 0 0 8 -5,-2.2 -1,-0.2 -6,-0.3 9,-0.1 -0.596 24.4 132.6 -99.0 66.2 22.1 14.6 118.7 338 341 A M + 0 0 90 -2,-1.1 -1,-0.2 -5,-0.1 2,-0.1 0.288 22.2 113.3-108.9 8.2 23.3 15.9 122.0 339 342 A G S > S- 0 0 32 -3,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.464 80.5-109.4 -73.5 156.6 26.7 14.2 122.5 340 343 A Y H > S+ 0 0 129 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 119.2 43.3 -54.0 -49.3 29.5 16.8 122.5 341 344 A G H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.864 111.8 54.2 -65.4 -37.2 30.8 15.6 119.1 342 345 A Q H 4 S+ 0 0 71 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.912 113.2 42.9 -63.0 -43.0 27.3 15.5 117.6 343 346 A I H >< S+ 0 0 17 -4,-2.6 3,-1.4 2,-0.2 4,-0.3 0.946 114.2 50.3 -68.2 -47.1 26.7 19.0 118.6 344 347 A N H >< S+ 0 0 41 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.892 112.2 47.0 -58.4 -41.2 30.1 20.3 117.5 345 348 A D G >< S+ 0 0 97 -4,-2.6 3,-2.1 1,-0.2 4,-0.4 0.500 85.3 99.0 -78.8 -4.1 29.7 18.6 114.1 346 349 A G G X + 0 0 2 -3,-1.4 3,-1.8 -4,-0.3 4,-0.4 0.788 64.1 74.1 -54.1 -31.9 26.2 20.1 113.9 347 350 A L G X S+ 0 0 6 -3,-0.8 3,-1.6 -4,-0.3 4,-0.5 0.785 83.6 67.9 -54.6 -28.5 27.5 22.9 111.7 348 351 A N G X >S+ 0 0 56 -3,-2.1 5,-2.3 1,-0.3 3,-0.9 0.846 90.8 62.6 -59.6 -32.8 27.7 20.5 108.8 349 352 A L G < 5S+ 0 0 4 -3,-1.8 -42,-2.5 -4,-0.4 -1,-0.3 0.620 113.1 34.1 -67.1 -16.2 23.9 20.3 108.8 350 353 A I G < 5S+ 0 0 0 -3,-1.6 -295,-1.8 -4,-0.4 -1,-0.2 0.237 131.0 25.4-123.5 11.3 23.7 24.0 107.9 351 354 A T T <>5S+ 0 0 3 -3,-0.9 4,-2.2 -4,-0.5 3,-0.4 0.245 124.4 18.2-132.3 -97.1 26.8 24.3 105.7 352 355 A H H >5S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.846 124.4 49.8 -54.6 -45.5 28.4 21.5 103.7 353 356 A H H > S+ 0 0 0 -6,-0.6 4,-1.8 -3,-0.4 -1,-0.2 0.854 107.5 54.9 -71.8 -35.4 23.2 21.8 102.5 355 358 A A H <>S+ 0 0 6 -4,-2.2 5,-2.5 2,-0.2 4,-0.2 0.899 108.3 49.8 -62.6 -40.0 25.6 22.8 99.8 356 359 A R H ><5S+ 0 0 140 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.922 107.2 54.7 -64.6 -41.2 25.6 19.2 98.5 357 360 A T H 3<5S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.873 110.0 46.3 -59.0 -36.6 21.7 19.2 98.6 358 361 A L T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.413 111.2-124.5 -86.6 3.3 21.8 22.3 96.4 359 362 A N T < 5 - 0 0 55 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.827 42.2-173.8 56.8 36.8 24.4 20.7 94.1 360 363 A L < - 0 0 41 -5,-2.5 3,-0.2 -6,-0.1 -1,-0.2 -0.377 21.6-169.3 -67.9 138.4 26.7 23.6 94.6 361 364 A Q S S+ 0 0 161 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.463 79.4 46.2-104.5 -7.5 29.9 23.7 92.5 362 365 A D S S+ 0 0 63 7,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.700 81.6 119.4-138.9 80.2 31.8 26.6 94.2 363 366 A Y + 0 0 33 -2,-0.2 2,-0.1 -3,-0.2 6,-0.0 -0.976 38.7 49.6-151.5 131.8 31.5 26.1 97.9 364 367 A G S S- 0 0 10 8,-0.3 2,-1.6 -2,-0.3 8,-0.2 -0.278 84.3 -75.7 121.9 152.3 34.0 25.5 100.7 365 368 A I S S+ 0 0 30 -2,-0.1 2,-0.3 -315,-0.1 6,-0.1 -0.662 82.4 125.6 -82.6 89.9 37.2 27.0 102.1 366 369 A A > - 0 0 42 -2,-1.6 3,-2.0 4,-0.2 -340,-0.3 -0.996 68.7 -90.4-149.2 146.0 39.6 25.7 99.4 367 370 A A T 3 S+ 0 0 65 -2,-0.3 -340,-0.2 1,-0.2 3,-0.1 -0.301 112.4 26.6 -58.0 134.3 42.1 27.1 97.0 368 371 A G T 3 S+ 0 0 51 -342,-3.1 -1,-0.2 1,-0.4 2,-0.1 0.118 95.9 113.1 99.5 -21.4 40.5 28.0 93.7 369 372 A N S < S- 0 0 36 -3,-2.0 -343,-2.7 -343,-0.2 -1,-0.4 -0.420 80.0 -88.9 -81.3 159.2 37.0 28.6 95.1 370 373 A S B -D 25 0A 28 -345,-0.2 2,-2.3 1,-0.1 -345,-0.3 -0.359 46.2-104.9 -62.6 148.8 35.3 32.0 95.3 371 374 A A + 0 0 0 -347,-2.9 27,-2.3 -349,-0.1 2,-0.6 -0.488 69.0 143.1 -79.8 72.9 36.2 33.9 98.5 372 375 A N + 0 0 18 -2,-2.3 -8,-0.3 24,-0.2 2,-0.3 -0.970 21.9 128.7-115.6 113.1 32.8 33.3 100.1 373 376 A L E - G 0 395B 0 22,-2.1 22,-3.2 -2,-0.6 2,-0.3 -0.983 40.6-141.7-161.9 159.5 33.1 32.7 103.8 374 377 A I E -FG 51 394B 0 -323,-2.9 -323,-2.1 -2,-0.3 2,-0.5 -0.932 11.5-137.9-131.3 156.0 31.8 33.9 107.2 375 378 A I E -FG 50 393B 3 18,-2.6 17,-1.9 -2,-0.3 18,-1.1 -0.967 12.5-164.3-118.6 123.1 33.3 34.5 110.5 376 379 A L E -F 49 0B 0 -327,-2.9 2,-2.4 -2,-0.5 -327,-1.9 -0.902 24.7-129.9-105.8 132.9 31.7 33.3 113.8 377 380 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -329,-0.1 -0.412 77.0 96.2 -81.0 68.0 32.9 34.8 117.1 378 381 A A S S- 0 0 5 -2,-2.4 -329,-0.7 11,-0.1 -2,-0.2 -0.976 77.8-123.0-153.0 158.5 33.2 31.4 118.7 379 382 A E S S- 0 0 100 -2,-0.3 2,-0.3 -331,-0.2 -1,-0.1 0.725 85.1 -23.8 -79.5 -26.2 35.9 28.7 119.2 380 383 A N S > S- 0 0 42 -331,-0.1 4,-2.4 -369,-0.1 5,-0.2 -0.941 80.4 -73.8-169.7 179.5 34.2 25.8 117.4 381 384 A G H > S+ 0 0 5 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.860 126.1 53.7 -59.1 -39.2 30.7 24.5 116.3 382 385 A F H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.942 111.6 44.7 -60.4 -48.9 29.7 23.6 119.9 383 386 A D H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 112.8 50.8 -63.6 -43.3 30.5 27.1 121.2 384 387 A A H X>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 4,-0.6 0.912 115.2 43.7 -61.3 -42.6 28.8 28.8 118.3 385 388 A L H ><5S+ 0 0 11 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.940 113.1 50.3 -69.4 -47.9 25.7 26.7 118.8 386 389 A R H 3<5S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.6 35.8 -58.9 -45.2 25.6 27.0 122.6 387 390 A R H 3<5S- 0 0 52 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.468 98.9-134.0 -90.6 -0.3 25.9 30.8 122.6 388 391 A Q T <<5 - 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