==== 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 1RA5 . 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) . 17822.0 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.4 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 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 0 120 0, 0.0 398,-0.1 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0 63.7 40.4 45.2 98.9 2 5 A L + 0 0 40 396,-0.5 40,-0.2 1,-0.1 3,-0.1 -0.250 360.0 175.9 -55.5 134.1 40.8 42.4 101.4 3 6 A Q + 0 0 106 38,-3.5 18,-2.9 1,-0.3 2,-0.3 0.625 61.9 16.7-113.3 -22.2 43.9 40.3 100.7 4 7 A T E -Ab 20 42A 18 37,-1.6 39,-3.0 16,-0.2 2,-0.5 -1.000 50.1-146.5-154.8 150.4 43.9 37.9 103.7 5 8 A I E -Ab 19 43A 0 14,-2.2 14,-2.9 -2,-0.3 2,-0.3 -0.988 36.7-167.2-112.5 123.7 41.7 36.4 106.4 6 9 A I E + b 0 44A 3 37,-2.3 39,-2.7 -2,-0.5 40,-0.4 -0.761 53.3 21.8-116.3 162.3 44.0 35.8 109.4 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.2 1,-0.2 41,-0.4 0.881 79.7 164.9 54.1 46.4 43.8 33.9 112.7 8 11 A A E -A 17 0A 0 9,-2.5 9,-2.1 -3,-0.3 2,-0.3 -0.742 30.5-150.3 -97.4 138.1 41.0 31.7 111.5 9 12 A R B -e 49 0B 62 39,-2.5 41,-3.0 -2,-0.4 7,-0.1 -0.789 15.1-156.8 -98.8 149.1 40.0 28.4 113.1 10 13 A L > - 0 0 26 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.986 27.1 -97.5-127.8 139.1 38.6 25.8 110.8 11 14 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.245 107.8 8.4 -56.2 139.5 36.2 22.9 111.8 12 15 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.489 109.7 107.2 70.5 2.3 38.0 19.6 112.4 13 16 A E < - 0 0 109 -3,-2.1 -3,-0.3 2,-0.1 2,-0.2 -0.852 65.2-128.7-114.9 151.2 41.4 21.4 112.2 14 17 A E - 0 0 172 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.603 65.9 -4.0 -91.6 155.2 43.9 22.2 114.9 15 18 A G S S- 0 0 47 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.075 94.3 -42.7 68.6-162.2 45.4 25.7 115.3 16 19 A L E - C 0 32A 16 16,-0.5 16,-2.9 -7,-0.1 2,-0.3 -0.774 48.4-160.0-110.5 155.0 45.0 28.8 113.3 17 20 A W E -AC 8 31A 51 -9,-2.1 -9,-2.5 -2,-0.3 2,-0.4 -0.956 12.7-141.1-138.0 152.4 45.0 29.4 109.6 18 21 A Q E - C 0 30A 37 12,-3.2 12,-2.5 -2,-0.3 2,-0.6 -0.934 13.2-157.0-113.4 132.7 45.5 32.2 107.1 19 22 A I E -AC 5 29A 0 -14,-2.9 -14,-2.2 -2,-0.4 2,-0.4 -0.941 10.0-151.5-115.0 111.2 43.3 32.4 104.0 20 23 A H E -AC 4 28A 44 8,-3.0 7,-2.4 -2,-0.6 8,-1.2 -0.671 10.0-156.5 -85.0 133.5 44.9 34.3 101.1 21 24 A L E + C 0 26A 13 -18,-2.9 2,-0.3 -2,-0.4 5,-0.2 -0.905 16.7 169.2-114.7 138.3 42.5 36.0 98.7 22 25 A Q E > - C 0 25A 114 3,-2.6 3,-1.7 -2,-0.4 349,-0.1 -0.962 67.7 -11.5-149.5 127.2 43.2 37.0 95.1 23 26 A D T 3 S- 0 0 140 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.878 127.8 -51.0 51.4 46.9 40.8 38.3 92.4 24 27 A G T 3 S+ 0 0 28 1,-0.2 347,-2.9 373,-0.1 -1,-0.3 0.533 122.8 94.4 72.4 6.8 37.7 37.4 94.4 25 28 A K E < S-CD 22 370A 95 -3,-1.7 -3,-2.6 345,-0.3 2,-0.7 -0.770 84.5-101.2-125.3 169.5 38.9 33.8 95.0 26 29 A I E -C 21 0A 1 343,-2.8 342,-3.2 340,-0.3 -5,-0.3 -0.833 35.3-179.5 -90.4 115.1 40.8 31.9 97.7 27 30 A S E - 0 0 63 -7,-2.4 2,-0.3 -2,-0.7 -6,-0.2 0.844 61.7 -13.2 -85.8 -35.4 44.4 31.6 96.4 28 31 A A E -C 20 0A 33 -8,-1.2 -8,-3.0 339,-0.1 2,-0.4 -0.987 49.4-144.5-164.1 156.2 45.9 29.6 99.2 29 32 A I E -C 19 0A 44 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.995 24.4-179.0-128.7 122.7 45.3 28.5 102.8 30 33 A D E -C 18 0A 79 -12,-2.5 -12,-3.2 -2,-0.4 2,-0.1 -0.972 25.9-120.1-128.2 139.3 48.3 28.2 105.2 31 34 A A E -C 17 0A 65 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.409 24.4-143.6 -73.0 149.1 48.6 27.1 108.8 32 35 A Q E -C 16 0A 20 -16,-2.9 -16,-0.5 -2,-0.1 3,-0.1 -0.820 9.2-152.4-109.2 153.4 49.9 29.6 111.3 33 36 A S S S- 0 0 136 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.395 80.6 -5.1-103.7 0.9 52.1 28.7 114.2 34 37 A G S S- 0 0 38 -18,-0.1 2,-0.4 -19,-0.0 -27,-0.2 -0.933 100.3 -49.0-169.3-173.3 50.8 31.6 116.3 35 38 A V - 0 0 95 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.635 53.5-139.7 -79.6 128.1 48.6 34.7 116.3 36 39 A M - 0 0 72 -2,-0.4 2,-0.1 1,-0.1 -30,-0.1 -0.576 20.0-109.5 -86.7 148.3 49.3 37.0 113.3 37 40 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.472 32.5-113.5 -77.1 150.0 49.3 40.8 113.6 38 41 A I + 0 0 113 -2,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.361 43.1 164.3 -75.4 160.0 46.5 42.8 112.1 39 42 A T > - 0 0 83 3,-0.3 3,-1.7 -2,-0.1 5,-0.1 -0.957 46.0 -67.2-167.1 165.1 47.3 45.1 109.1 40 43 A E T 3 S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.370 121.1 24.3 -63.6 142.1 45.4 46.9 106.4 41 44 A N T 3 S+ 0 0 56 1,-0.2 -38,-3.5 -38,-0.1 -37,-1.6 0.476 101.4 108.9 80.8 3.6 43.8 44.6 103.9 42 45 A S E < -b 4 0A 22 -3,-1.7 2,-0.7 -39,-0.2 -3,-0.3 -0.952 58.5-151.6-114.0 128.8 43.6 41.8 106.5 43 46 A L E -b 5 0A 16 -39,-3.0 -37,-2.3 -2,-0.5 2,-0.7 -0.896 17.8-142.2 -99.9 118.6 40.4 40.7 108.0 44 47 A D E -b 6 0A 39 -2,-0.7 -37,-0.2 -39,-0.2 -39,-0.1 -0.737 16.7-170.3 -87.2 111.5 41.1 39.4 111.5 45 48 A A > - 0 0 6 -39,-2.7 3,-1.5 -2,-0.7 -38,-0.2 0.606 31.1-142.0 -72.3 -11.5 38.9 36.4 112.4 46 49 A E T 3 - 0 0 141 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.850 65.5 -53.8 51.2 42.5 40.3 36.9 115.9 47 50 A Q T 3 S+ 0 0 79 -40,-2.2 -1,-0.3 -41,-0.3 -39,-0.2 0.722 107.9 136.5 65.6 22.6 40.6 33.1 116.5 48 51 A G < - 0 0 3 -3,-1.5 -39,-2.5 -41,-0.4 2,-0.4 -0.339 63.7 -84.9 -87.2 177.4 36.9 32.8 115.6 49 52 A L E -eF 9 376B 3 327,-1.9 327,-2.8 329,-0.6 2,-0.5 -0.729 35.9-158.1 -93.1 129.6 35.6 30.1 113.3 50 53 A V E + F 0 375B 0 -41,-3.0 325,-0.2 -2,-0.4 315,-0.1 -0.926 23.4 158.3-109.8 127.4 35.7 30.5 109.5 51 54 A I E - F 0 374B 4 323,-2.1 323,-2.8 -2,-0.5 3,-0.1 -0.923 47.0 -91.0-140.9 161.2 33.3 28.4 107.5 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.302 72.2 -67.3 -66.0 167.3 31.8 28.6 104.0 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.109 51.6-102.6 -59.4 151.4 28.4 30.4 104.1 54 57 A F E -i 113 0C 5 58,-1.8 60,-1.6 57,-0.1 61,-0.8 -0.342 39.2-146.0 -65.4 155.3 25.3 29.1 105.8 55 58 A V E -i 115 0C 0 295,-1.9 61,-0.2 58,-0.2 252,-0.1 -0.957 14.0-153.3-127.4 142.0 22.8 27.7 103.4 56 59 A E E +i 116 0C 0 59,-2.8 61,-2.7 -2,-0.4 3,-0.2 -0.894 17.3 177.6-113.6 96.7 19.0 27.7 103.5 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.603 69.3 29.4 -76.1 -10.7 18.0 24.5 101.5 58 61 A H E S+ 0 0 0 249,-0.1 252,-2.8 213,-0.1 251,-0.3 -0.774 70.1 132.5-156.7 105.2 14.3 24.9 102.0 59 62 A I E -ij 118 310C 0 58,-1.7 60,-2.7 -2,-0.3 2,-0.6 -0.963 44.4-132.5-146.1 158.5 12.2 28.0 102.5 60 63 A H > + 0 0 7 250,-1.3 4,-1.0 -2,-0.3 3,-0.5 -0.855 26.6 170.9-114.8 91.6 9.0 29.5 101.0 61 64 A L T 4 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.4 43,-0.1 0.652 74.9 62.9 -75.4 -14.8 9.7 33.1 100.1 62 65 A D T 4 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.770 113.2 34.2 -80.9 -20.5 6.4 33.5 98.3 63 66 A T T >4 S+ 0 0 2 -3,-0.5 3,-1.4 37,-0.1 -2,-0.2 0.560 90.0 124.0-105.9 -11.9 4.5 32.9 101.5 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.2 -0.155 74.8 15.6 -56.5 141.9 6.9 34.5 104.0 65 68 A Q T 3 S+ 0 0 27 247,-2.0 -1,-0.2 248,-0.3 249,-0.2 0.593 97.3 104.5 72.0 15.8 5.6 37.3 106.2 66 69 A T X + 0 0 0 -3,-1.4 3,-2.3 247,-0.5 248,-0.3 0.316 37.0 142.1-108.4 8.4 1.9 36.4 105.5 67 70 A A T 3 S+ 0 0 6 246,-1.9 5,-0.1 1,-0.3 247,-0.1 -0.258 74.8 17.0 -53.4 131.1 0.9 34.7 108.8 68 71 A G T 3 S+ 0 0 20 3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.426 89.1 154.9 87.1 0.1 -2.6 35.6 109.7 69 72 A Q S < S- 0 0 83 -3,-2.3 -1,-0.2 1,-0.2 19,-0.1 -0.910 84.8 -21.4-112.5 114.3 -3.6 36.9 106.3 70 73 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.986 144.0 -0.2 -87.6 -7.9 -6.5 36.7 105.9 71 74 A N - 0 0 82 13,-0.2 -3,-0.6 0, 0.0 2,-0.3 -0.935 69.2-110.9-138.8 160.4 -6.8 34.0 108.6 72 75 A W - 0 0 126 -2,-0.3 2,-1.3 -4,-0.3 3,-0.1 -0.639 30.8-113.6 -91.4 149.2 -4.7 32.1 111.0 73 76 A N - 0 0 22 -2,-0.3 3,-0.2 1,-0.2 8,-0.1 -0.700 39.5-178.4 -79.7 96.3 -3.9 28.4 110.8 74 77 A Q S S+ 0 0 147 -2,-1.3 -1,-0.2 1,-0.2 7,-0.0 0.875 73.7 47.6 -68.9 -40.8 -5.8 27.4 114.0 75 78 A S S S- 0 0 48 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.667 97.9-133.0 -77.6 -16.2 -5.0 23.7 114.0 76 79 A G + 0 0 3 1,-0.2 2,-0.3 -3,-0.2 206,-0.1 0.856 59.7 135.4 66.5 34.7 -1.3 24.1 113.4 77 80 A T > - 0 0 13 1,-0.1 4,-2.1 205,-0.1 -1,-0.2 -0.781 68.1-121.3-115.5 159.9 -1.4 21.4 110.7 78 81 A L H > S+ 0 0 9 201,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.919 112.5 53.1 -60.0 -44.5 0.0 21.1 107.2 79 82 A F H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 110.7 42.7 -62.9 -45.5 -3.5 20.6 105.8 80 83 A E H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 110.4 60.3 -69.4 -33.5 -5.0 23.7 107.3 81 84 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 103.9 48.3 -57.3 -44.1 -1.8 25.6 106.4 82 85 A I H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 111.8 50.5 -64.6 -37.2 -2.4 24.8 102.7 83 86 A E H X S+ 0 0 101 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.919 111.6 46.7 -66.2 -44.0 -6.0 26.0 103.0 84 87 A R H X S+ 0 0 42 -4,-2.8 4,-1.5 1,-0.2 -13,-0.2 0.881 112.4 51.5 -65.4 -38.0 -5.0 29.3 104.7 85 88 A W H X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.2 5,-0.2 0.903 103.0 58.5 -65.8 -40.2 -2.3 29.8 102.0 86 89 A A H X S+ 0 0 26 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.889 105.2 50.9 -56.6 -38.0 -4.9 29.2 99.2 87 90 A E H < S+ 0 0 59 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.899 114.7 42.6 -66.4 -39.1 -6.9 32.1 100.6 88 91 A R H >< S+ 0 0 17 -4,-1.5 3,-1.6 1,-0.2 4,-0.3 0.844 106.4 62.4 -74.6 -34.6 -3.8 34.3 100.6 89 92 A K H >< S+ 0 0 17 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.846 96.3 59.7 -60.6 -33.8 -2.6 33.1 97.2 90 93 A A T 3< S+ 0 0 88 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.672 106.1 49.3 -69.1 -15.0 -5.8 34.5 95.6 91 94 A L T < S+ 0 0 103 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.338 83.1 131.5-105.4 4.0 -4.7 38.0 96.9 92 95 A L < - 0 0 20 -3,-1.2 2,-0.3 -4,-0.3 3,-0.1 -0.227 31.5-175.6 -61.7 144.7 -1.1 37.9 95.6 93 96 A T > - 0 0 75 1,-0.1 4,-2.2 35,-0.0 5,-0.2 -0.963 35.5-114.9-135.9 154.0 0.3 40.8 93.6 94 97 A H H > S+ 0 0 59 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.932 114.3 44.7 -50.9 -56.1 3.7 41.0 91.9 95 98 A D H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.841 110.0 55.1 -63.4 -35.8 5.0 43.8 94.2 96 99 A D H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 108.6 47.8 -66.1 -41.8 3.8 42.2 97.4 97 100 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.940 113.4 48.3 -63.6 -44.3 5.6 39.0 96.7 98 101 A K H X S+ 0 0 32 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.7 49.3 -63.0 -42.1 8.8 40.9 95.9 99 102 A Q H X S+ 0 0 112 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.932 114.5 43.1 -63.4 -47.9 8.6 43.0 99.0 100 103 A R H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.908 114.2 50.5 -66.2 -41.9 8.0 40.2 101.4 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.938 110.9 49.5 -61.3 -46.0 10.7 37.9 99.7 102 105 A W H X S+ 0 0 49 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.845 105.4 58.1 -62.6 -33.1 13.2 40.7 99.9 103 106 A Q H X S+ 0 0 71 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.950 112.5 39.3 -61.8 -48.8 12.4 41.3 103.6 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.890 112.0 57.6 -69.6 -37.3 13.3 37.8 104.5 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.888 103.4 53.6 -61.1 -37.2 16.3 37.7 102.1 106 109 A K H X S+ 0 0 131 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 107.5 50.5 -64.2 -38.0 17.8 40.7 103.9 107 110 A W H X S+ 0 0 85 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.906 110.6 51.0 -63.5 -39.4 17.5 38.8 107.2 108 111 A Q H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -2,-0.2 0.913 108.4 49.7 -65.2 -41.6 19.3 35.9 105.5 109 112 A I H ><5S+ 0 0 20 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.934 110.5 51.4 -61.2 -43.0 22.1 38.1 104.2 110 113 A A H 3<5S+ 0 0 44 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.795 108.1 53.9 -61.8 -30.5 22.5 39.4 107.8 111 114 A N T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.2 213,-0.3 0.093 121.5-105.0 -94.1 20.5 22.6 35.8 109.0 112 115 A G T < 5S+ 0 0 1 -3,-1.7 -58,-1.8 1,-0.2 2,-0.6 0.692 70.1 147.0 67.4 21.6 25.5 34.8 106.7 113 116 A I E < +i 54 0C 1 -5,-2.7 -1,-0.2 -60,-0.2 -58,-0.2 -0.824 13.2 163.6 -94.0 117.8 23.3 32.9 104.2 114 117 A Q E + 0 0 1 -60,-1.6 31,-2.7 -2,-0.6 2,-0.4 0.411 63.3 54.8-111.9 -2.5 24.6 33.1 100.7 115 118 A H E +ik 55 145C 10 -61,-0.8 -59,-2.8 29,-0.2 2,-0.4 -0.994 62.9 173.2-136.2 125.7 22.7 30.2 99.1 116 119 A V E -ik 56 146C 0 29,-2.1 31,-3.1 -2,-0.4 2,-0.6 -0.999 19.6-161.4-138.6 134.6 18.9 29.8 99.3 117 120 A R E - 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0 0 18 -8,-0.2 -8,-0.1 -2,-0.1 -3,-0.0 0.117 39.1-149.3 102.7 147.4 11.6 32.9 112.9 321 324 A T - 0 0 71 2,-0.1 -1,-0.1 -214,-0.0 -9,-0.1 0.014 61.7-103.1-130.6 20.6 14.3 35.4 112.0 322 325 A A + 0 0 0 1,-0.2 2,-0.6 -11,-0.1 -211,-0.1 0.857 68.4 159.4 58.1 40.8 15.7 33.1 109.3 323 326 A N > - 0 0 32 1,-0.1 4,-1.7 -14,-0.1 3,-0.5 -0.826 32.0-164.2-101.2 113.3 18.6 32.0 111.6 324 327 A M H > S+ 0 0 1 -2,-0.6 4,-2.8 -213,-0.3 5,-0.2 0.834 89.3 57.2 -68.0 -33.1 20.3 28.7 110.7 325 328 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 107.9 50.6 -66.1 -27.4 22.0 28.2 114.1 326 329 A Q H > S+ 0 0 69 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.892 109.8 48.6 -74.7 -39.5 18.5 28.4 115.6 327 330 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.939 113.1 49.0 -61.6 -47.8 17.2 25.8 113.2 328 331 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.919 107.0 55.4 -58.8 -45.7 20.2 23.6 114.1 329 332 A H H X S+ 0 0 67 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.936 110.1 45.5 -54.0 -48.3 19.6 24.1 117.8 330 333 A M H X S+ 0 0 54 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.945 112.6 50.8 -63.1 -45.7 16.1 22.8 117.5 331 334 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.895 107.0 52.8 -59.7 -42.3 17.1 19.8 115.3 332 335 A L H <>S+ 0 0 1 -4,-2.8 5,-2.2 2,-0.2 4,-0.3 0.893 113.9 44.4 -62.4 -37.9 19.9 18.7 117.6 333 336 A H H ><5S+ 0 0 83 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.965 116.7 42.3 -69.8 -53.3 17.4 18.6 120.5 334 337 A V H 3<5S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.878 119.7 43.7 -65.7 -34.3 14.5 16.9 118.8 335 338 A C T 3<5S- 0 0 19 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.429 108.3-125.9 -87.8 -1.2 16.7 14.4 117.0 336 339 A Q T < 5 + 0 0 107 -3,-1.0 2,-1.1 -4,-0.3 -3,-0.2 0.871 57.3 150.2 56.5 42.6 18.7 13.8 120.2 337 340 A L < + 0 0 7 -5,-2.2 -1,-0.2 -6,-0.3 9,-0.1 -0.589 24.1 133.8 -98.4 65.7 22.1 14.6 118.5 338 341 A M + 0 0 92 -2,-1.1 -1,-0.2 -5,-0.1 2,-0.1 0.273 21.2 114.6-106.9 9.1 23.2 15.8 121.9 339 342 A G S > S- 0 0 32 -3,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.470 79.4-111.2 -73.2 154.9 26.6 14.2 122.3 340 343 A Y H > S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 118.5 44.3 -54.3 -48.6 29.5 16.7 122.3 341 344 A G H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 111.6 53.2 -64.2 -38.2 30.8 15.6 118.9 342 345 A Q H 4 S+ 0 0 72 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.904 113.1 44.0 -64.0 -41.4 27.3 15.4 117.4 343 346 A I H >< S+ 0 0 17 -4,-2.7 3,-1.4 2,-0.2 4,-0.3 0.945 113.9 50.0 -68.3 -47.1 26.6 19.0 118.5 344 347 A N H >< S+ 0 0 39 -4,-2.9 3,-0.8 -5,-0.3 -2,-0.2 0.900 112.4 46.7 -58.9 -41.1 30.1 20.2 117.4 345 348 A D G >< S+ 0 0 95 -4,-2.7 3,-2.1 1,-0.2 4,-0.4 0.489 85.5 99.6 -79.5 -1.9 29.7 18.6 113.9 346 349 A G G X + 0 0 1 -3,-1.4 3,-1.8 1,-0.3 4,-0.4 0.785 64.1 73.5 -54.9 -31.9 26.2 20.1 113.8 347 350 A L G X S+ 0 0 6 -3,-0.8 3,-1.6 -4,-0.3 4,-0.5 0.784 83.9 67.7 -55.4 -28.8 27.4 22.9 111.6 348 351 A N G X >S+ 0 0 55 -3,-2.1 5,-2.4 1,-0.3 3,-0.9 0.852 91.0 62.7 -60.5 -31.0 27.7 20.4 108.7 349 352 A L G < 5S+ 0 0 4 -3,-1.8 -42,-2.6 -4,-0.4 -1,-0.3 0.630 113.2 33.7 -68.6 -15.8 23.9 20.2 108.7 350 353 A I G < 5S+ 0 0 0 -3,-1.6 -295,-1.9 -4,-0.4 -1,-0.2 0.251 131.3 25.6-122.9 10.6 23.7 23.9 107.8 351 354 A T T <>5S+ 0 0 3 -3,-0.9 4,-2.2 -4,-0.5 3,-0.4 0.265 124.4 18.3-132.2 -96.4 26.8 24.3 105.6 352 355 A H H >5S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.847 124.4 49.7 -55.1 -43.9 28.4 21.4 103.7 353 356 A H H > S+ 0 0 0 -6,-0.6 4,-1.9 -3,-0.4 -1,-0.2 0.858 107.3 55.6 -71.8 -34.0 23.1 21.7 102.4 355 358 A A H <>S+ 0 0 6 -4,-2.2 5,-2.5 1,-0.2 4,-0.2 0.907 108.6 49.0 -63.7 -39.3 25.6 22.8 99.7 356 359 A R H ><5S+ 0 0 130 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.911 106.8 55.7 -65.3 -41.4 25.5 19.2 98.5 357 360 A T H 3<5S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.877 109.8 45.9 -58.1 -37.5 21.7 19.2 98.6 358 361 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.405 111.4-124.3 -85.9 3.3 21.8 22.3 96.3 359 362 A N T < 5 - 0 0 54 -3,-1.6 -3,-0.2 -4,-0.2 2,-0.1 0.829 42.3-174.0 57.3 37.7 24.4 20.6 94.0 360 363 A L < - 0 0 35 -5,-2.5 3,-0.2 -6,-0.1 -1,-0.2 -0.399 21.3-168.2 -68.7 137.5 26.7 23.6 94.5 361 364 A Q S S+ 0 0 160 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.474 79.4 46.3-102.7 -8.0 29.9 23.6 92.4 362 365 A D S S+ 0 0 61 7,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.725 81.0 120.4-138.4 82.9 31.7 26.4 94.1 363 366 A Y + 0 0 32 -2,-0.3 2,-0.1 -3,-0.2 6,-0.0 -0.969 38.6 48.0-152.8 131.3 31.5 26.0 97.9 364 367 A G S S- 0 0 10 8,-0.3 2,-1.5 -2,-0.3 8,-0.2 -0.304 84.5 -75.4 121.7 153.7 34.0 25.5 100.7 365 368 A I S S+ 0 0 36 -2,-0.1 2,-0.3 -315,-0.1 6,-0.1 -0.691 82.1 123.7 -85.1 90.9 37.2 27.0 102.0 366 369 A A > - 0 0 44 -2,-1.5 3,-1.9 4,-0.2 -340,-0.3 -0.990 69.3 -88.0-149.1 148.1 39.6 25.6 99.4 367 370 A A T 3 S+ 0 0 63 -2,-0.3 -340,-0.2 1,-0.2 3,-0.1 -0.295 112.6 27.1 -58.6 135.8 42.0 27.1 96.9 368 371 A G T 3 S+ 0 0 50 -342,-3.2 -1,-0.2 1,-0.4 2,-0.1 0.085 95.8 113.2 99.8 -23.8 40.4 28.0 93.6 369 372 A N S < S- 0 0 36 -3,-1.9 -343,-2.8 -343,-0.2 -1,-0.4 -0.413 80.1 -89.9 -79.6 157.2 37.0 28.6 95.1 370 373 A S B -D 25 0A 25 -345,-0.2 2,-2.3 1,-0.1 -345,-0.3 -0.342 45.2-105.7 -62.2 148.1 35.3 32.0 95.2 371 374 A A + 0 0 0 -347,-2.9 27,-2.4 -349,-0.1 2,-0.6 -0.479 68.6 142.7 -79.8 72.8 36.1 33.8 98.4 372 375 A N + 0 0 18 -2,-2.3 -8,-0.3 24,-0.2 2,-0.3 -0.971 22.5 128.0-115.3 114.4 32.7 33.3 100.0 373 376 A L E - G 0 395B 0 22,-2.3 22,-3.4 -2,-0.6 2,-0.3 -0.984 41.5-139.6-161.6 162.8 32.9 32.7 103.7 374 377 A I E -FG 51 394B 0 -323,-2.8 -323,-2.1 -2,-0.3 2,-0.5 -0.943 11.3-139.0-132.4 156.4 31.6 33.8 107.0 375 378 A I E -FG 50 393B 3 18,-2.7 17,-1.8 -2,-0.3 18,-1.2 -0.967 12.5-163.3-120.1 121.9 33.3 34.4 110.4 376 379 A L E -F 49 0B 0 -327,-2.8 2,-2.4 -2,-0.5 -327,-1.9 -0.888 24.8-129.0-104.3 134.5 31.6 33.3 113.7 377 380 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -329,-0.1 -0.409 78.0 95.7 -80.2 66.9 32.8 34.8 117.0 378 381 A A S S- 0 0 5 -2,-2.4 -329,-0.6 11,-0.1 -2,-0.2 -0.974 77.8-123.5-152.2 159.5 33.1 31.3 118.5 379 382 A E S S- 0 0 90 -2,-0.3 2,-0.3 -331,-0.2 -1,-0.1 0.754 85.3 -23.3 -80.6 -26.7 35.8 28.7 119.1 380 383 A N S > S- 0 0 38 -331,-0.1 4,-2.5 -369,-0.1 5,-0.2 -0.939 80.2 -73.9-168.0-179.2 34.1 25.8 117.3 381 384 A G H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.862 126.0 53.2 -59.0 -40.8 30.7 24.5 116.2 382 385 A F H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.946 111.8 45.0 -59.5 -49.8 29.7 23.5 119.7 383 386 A D H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 112.5 50.7 -62.6 -43.9 30.5 27.0 121.1 384 387 A A H X>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.2 4,-0.6 0.909 115.0 44.2 -60.7 -42.7 28.7 28.8 118.2 385 388 A L H ><5S+ 0 0 10 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.937 112.7 50.1 -68.9 -47.6 25.6 26.6 118.7 386 389 A R H 3<5S+ 0 0 111 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.5 36.3 -59.3 -44.0 25.5 26.9 122.5 387 390 A R H 3<5S- 0 0 53 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.475 99.0-134.2 -90.8 -0.4 25.8 30.7 122.5 388 391 A Q T <<5 - 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