==== 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 1RAK . 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) . 17895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 71.6 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 . 34 8.0 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 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 0 102 0, 0.0 398,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 154.5 40.5 45.2 98.9 2 5 A L + 0 0 42 396,-0.6 40,-0.2 1,-0.1 3,-0.1 -0.332 360.0 177.6 -59.6 133.2 40.9 42.5 101.5 3 6 A Q + 0 0 108 38,-3.4 18,-3.0 1,-0.3 2,-0.3 0.646 60.5 17.5-110.7 -22.4 44.0 40.4 100.9 4 7 A T E -Ab 20 42A 18 37,-1.6 39,-3.0 16,-0.2 2,-0.5 -1.000 49.1-147.5-154.8 149.7 43.9 38.0 103.9 5 8 A I E -Ab 19 43A 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.986 36.9-168.8-111.9 122.8 41.8 36.5 106.7 6 9 A I E + b 0 44A 2 37,-2.3 39,-2.6 -2,-0.5 40,-0.3 -0.749 52.7 22.9-116.4 162.9 44.1 35.9 109.7 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.1 1,-0.2 41,-0.4 0.869 80.2 163.9 55.2 44.2 43.8 34.0 113.0 8 11 A A E -A 17 0A 0 9,-2.5 9,-2.2 -3,-0.2 2,-0.3 -0.734 31.5-150.4 -98.0 139.1 41.1 31.7 111.8 9 12 A R B -e 49 0B 68 39,-2.5 41,-2.8 -2,-0.4 7,-0.1 -0.795 15.2-156.4 -99.0 148.7 40.0 28.5 113.4 10 13 A L > - 0 0 25 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.984 26.6 -99.0-127.6 138.9 38.6 25.8 111.0 11 14 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.263 107.7 9.7 -56.3 138.9 36.3 23.0 112.0 12 15 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.439 110.0 104.1 72.9 -1.6 38.1 19.7 112.5 13 16 A E < - 0 0 105 -3,-2.1 -3,-0.3 2,-0.1 -1,-0.2 -0.846 66.0-128.4-114.2 151.7 41.5 21.4 112.4 14 17 A E - 0 0 167 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.578 65.6 -2.4 -91.5 157.6 43.9 22.2 115.1 15 18 A G S S- 0 0 39 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.054 94.6 -41.4 67.2-162.4 45.4 25.7 115.6 16 19 A L E - C 0 32A 15 16,-0.6 16,-3.0 -7,-0.1 2,-0.3 -0.773 48.7-160.2-109.6 154.3 45.1 28.9 113.6 17 20 A W E -AC 8 31A 51 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.4 -0.948 12.8-142.7-136.9 152.4 45.0 29.5 109.9 18 21 A Q E - C 0 30A 37 12,-3.1 12,-2.5 -2,-0.3 2,-0.6 -0.945 12.9-157.0-115.0 132.2 45.6 32.3 107.3 19 22 A I E -AC 5 29A 0 -14,-3.0 -14,-2.2 -2,-0.4 2,-0.4 -0.940 10.5-150.9-114.6 111.1 43.4 32.4 104.2 20 23 A H E -AC 4 28A 48 8,-2.8 7,-2.5 -2,-0.6 8,-1.2 -0.666 10.7-156.7 -84.5 133.6 45.0 34.4 101.3 21 24 A L E + C 0 26A 10 -18,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.896 17.1 167.3-115.1 140.2 42.6 36.1 98.9 22 25 A Q E > - C 0 25A 116 3,-2.6 3,-1.8 -2,-0.4 349,-0.1 -0.951 67.6 -9.2-153.2 128.6 43.3 37.2 95.3 23 26 A D T 3 S- 0 0 134 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.845 127.5 -53.3 53.9 39.7 40.9 38.3 92.6 24 27 A G T 3 S+ 0 0 28 1,-0.3 347,-2.9 374,-0.1 -1,-0.3 0.538 122.3 94.5 76.1 6.7 37.8 37.5 94.6 25 28 A K E < S-CD 22 370A 103 -3,-1.8 -3,-2.6 345,-0.3 2,-0.7 -0.768 84.7 -99.9-124.5 169.3 39.0 33.9 95.2 26 29 A I E -C 21 0A 2 343,-2.8 342,-3.1 340,-0.3 -5,-0.3 -0.824 35.2-178.8 -89.8 117.8 40.9 32.0 97.9 27 30 A S E - 0 0 64 -7,-2.5 2,-0.3 -2,-0.7 -6,-0.2 0.827 61.3 -14.0 -88.0 -33.6 44.5 31.7 96.6 28 31 A A E -C 20 0A 33 -8,-1.2 -8,-2.8 338,-0.1 2,-0.4 -0.983 49.3-143.2-165.9 157.0 46.0 29.7 99.4 29 32 A I E -C 19 0A 47 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.994 24.9-179.1-129.9 121.6 45.4 28.5 103.0 30 33 A D E -C 18 0A 79 -12,-2.5 -12,-3.1 -2,-0.4 2,-0.1 -0.970 25.6-120.2-128.2 139.4 48.4 28.3 105.4 31 34 A A E -C 17 0A 66 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.408 23.6-145.4 -73.3 148.4 48.7 27.2 109.0 32 35 A Q E -C 16 0A 19 -16,-3.0 -16,-0.6 -2,-0.1 3,-0.1 -0.819 9.3-152.4-109.3 153.6 50.0 29.7 111.6 33 36 A S S S- 0 0 138 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.375 80.2 -5.7-105.0 2.5 52.1 28.7 114.5 34 37 A G S S- 0 0 38 -18,-0.1 2,-0.4 -19,-0.0 -27,-0.2 -0.936 100.4 -47.4-170.9-173.2 50.9 31.6 116.6 35 38 A V - 0 0 94 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.615 53.0-141.2 -79.0 128.8 48.7 34.8 116.5 36 39 A M - 0 0 73 -2,-0.4 2,-0.2 1,-0.1 -30,-0.1 -0.603 19.0-110.9 -89.1 148.6 49.4 37.1 113.5 37 40 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -30,-0.0 -0.497 32.2-116.6 -77.9 149.7 49.4 40.8 113.8 38 41 A I + 0 0 97 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.308 40.9 163.9 -76.8 167.5 46.6 42.8 112.1 39 42 A T > - 0 0 92 3,-0.3 3,-1.7 -2,-0.0 5,-0.0 -0.945 46.6 -60.8-173.2 165.7 47.3 45.2 109.3 40 43 A E T 3 S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.343 122.1 22.4 -61.6 139.4 45.5 47.0 106.5 41 44 A N T 3 S+ 0 0 54 1,-0.2 -38,-3.4 -39,-0.1 -37,-1.6 0.487 101.1 109.2 81.3 5.2 43.8 44.7 104.0 42 45 A S E < -b 4 0A 21 -3,-1.7 2,-0.6 -39,-0.2 -3,-0.3 -0.957 58.5-151.1-114.6 128.0 43.7 41.9 106.6 43 46 A L E -b 5 0A 16 -39,-3.0 -37,-2.3 -2,-0.5 2,-0.7 -0.887 17.6-141.7 -98.5 120.3 40.4 40.8 108.2 44 47 A D E -b 6 0A 40 -2,-0.6 -37,-0.2 -39,-0.2 -39,-0.1 -0.746 16.9-170.5 -88.4 112.8 41.1 39.5 111.7 45 48 A A > - 0 0 6 -39,-2.6 3,-1.6 -2,-0.7 -38,-0.2 0.581 30.8-142.0 -74.2 -10.5 39.0 36.5 112.6 46 49 A E T 3 - 0 0 137 -40,-0.3 -39,-0.1 1,-0.3 -38,-0.1 0.837 65.9 -53.6 50.4 42.2 40.4 37.0 116.2 47 50 A Q T 3 S+ 0 0 79 -40,-2.1 -1,-0.3 -41,-0.3 -39,-0.2 0.716 108.1 135.3 66.7 22.9 40.6 33.2 116.7 48 51 A G < - 0 0 3 -3,-1.6 -39,-2.5 -41,-0.4 2,-0.4 -0.359 63.8 -83.9 -89.0 177.4 37.0 32.9 115.8 49 52 A L E -eF 9 376B 3 327,-1.9 327,-2.9 329,-0.7 2,-0.5 -0.711 35.5-158.5 -92.3 130.1 35.7 30.2 113.5 50 53 A V E + F 0 375B 1 -41,-2.8 325,-0.2 -2,-0.4 315,-0.1 -0.932 23.1 159.1-110.0 126.2 35.8 30.6 109.7 51 54 A I E - F 0 374B 4 323,-2.1 323,-2.9 -2,-0.5 3,-0.1 -0.910 46.8 -91.7-139.4 161.8 33.4 28.5 107.6 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.334 72.4 -67.0 -66.9 166.5 31.8 28.7 104.2 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.079 51.9-102.7 -57.3 150.2 28.5 30.5 104.2 54 57 A F E -i 113 0C 5 58,-1.9 60,-1.6 57,-0.1 61,-0.8 -0.359 39.3-146.0 -65.1 155.1 25.4 29.2 106.0 55 58 A V E -i 115 0C 0 295,-1.9 61,-0.2 58,-0.2 252,-0.1 -0.959 13.9-153.1-127.6 141.7 22.9 27.7 103.5 56 59 A E E +i 116 0C 0 59,-2.7 61,-2.6 -2,-0.4 3,-0.2 -0.902 17.2 177.8-112.7 97.3 19.0 27.7 103.6 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.616 69.1 29.3 -76.7 -10.8 18.1 24.6 101.7 58 61 A H E S+ 0 0 0 249,-0.1 252,-2.7 213,-0.1 2,-0.3 -0.765 70.4 133.2-156.5 104.4 14.3 24.9 102.2 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.7 -2,-0.3 2,-0.6 -0.964 44.2-132.2-145.4 158.5 12.3 28.1 102.6 60 63 A H > + 0 0 7 250,-1.4 4,-1.0 -2,-0.3 3,-0.4 -0.844 26.5 170.7-114.1 92.5 9.0 29.6 101.2 61 64 A L T 4 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.5 43,-0.1 0.669 75.4 61.8 -76.1 -15.1 9.8 33.2 100.2 62 65 A D T 4 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.770 113.4 35.3 -80.8 -21.2 6.4 33.6 98.5 63 66 A T T >4 S+ 0 0 2 -3,-0.4 3,-1.2 37,-0.1 -2,-0.2 0.566 89.4 123.1-104.5 -12.5 4.5 32.9 101.7 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.2 -0.161 75.0 16.1 -58.3 142.0 6.9 34.6 104.1 65 68 A Q T 3 S+ 0 0 26 247,-2.0 -1,-0.2 248,-0.3 249,-0.2 0.646 97.5 103.6 72.0 18.7 5.6 37.4 106.4 66 69 A T X + 0 0 0 -3,-1.2 3,-2.3 247,-0.8 248,-0.3 0.360 36.8 140.9-111.7 6.4 1.9 36.5 105.7 67 70 A A T 3 S+ 0 0 6 246,-1.9 5,-0.1 1,-0.3 247,-0.1 -0.233 75.7 17.3 -52.5 132.2 0.9 34.7 109.0 68 71 A G T 3 S+ 0 0 19 3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.426 89.7 154.8 85.7 0.5 -2.6 35.6 110.0 69 72 A Q S < S- 0 0 84 -3,-2.3 -1,-0.2 1,-0.3 19,-0.1 -0.912 84.6 -21.3-113.0 113.9 -3.6 37.0 106.5 70 73 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.987 144.3 0.2 -87.5 -8.4 -6.5 36.8 106.1 71 74 A N - 0 0 84 13,-0.2 -3,-0.6 0, 0.0 2,-0.2 -0.935 69.8-111.1-137.7 160.1 -6.8 34.1 108.8 72 75 A W - 0 0 128 -2,-0.3 2,-1.3 -4,-0.3 3,-0.1 -0.633 30.2-113.0 -92.1 150.2 -4.7 32.2 111.2 73 76 A N - 0 0 23 -2,-0.2 3,-0.2 1,-0.2 8,-0.1 -0.694 39.6-178.7 -79.9 95.3 -3.9 28.5 111.0 74 77 A Q S S+ 0 0 145 -2,-1.3 -1,-0.2 1,-0.2 7,-0.0 0.881 73.9 46.6 -68.2 -41.5 -5.8 27.5 114.2 75 78 A S S S- 0 0 47 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.670 97.9-132.7 -77.9 -16.7 -5.0 23.8 114.3 76 79 A G + 0 0 3 1,-0.2 2,-0.3 -3,-0.2 206,-0.1 0.860 59.6 135.5 66.7 35.7 -1.3 24.2 113.6 77 80 A T > - 0 0 13 1,-0.1 4,-1.9 205,-0.1 -1,-0.2 -0.771 68.0-121.3-115.6 161.0 -1.4 21.5 110.9 78 81 A L H > S+ 0 0 9 201,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.918 112.5 53.0 -61.2 -44.2 0.0 21.2 107.4 79 82 A F H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 110.9 42.2 -63.3 -46.2 -3.5 20.7 106.0 80 83 A E H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 110.5 60.7 -70.2 -31.7 -5.1 23.8 107.5 81 84 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.911 103.8 48.6 -58.3 -42.5 -1.9 25.7 106.6 82 85 A I H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.872 111.4 50.4 -66.1 -36.3 -2.5 24.9 102.9 83 86 A E H X S+ 0 0 98 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.914 111.9 46.5 -67.6 -42.8 -6.1 26.1 103.2 84 87 A R H X S+ 0 0 42 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.882 112.2 51.5 -66.1 -38.9 -5.0 29.3 104.8 85 88 A W H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 5,-0.2 0.899 103.3 58.6 -64.8 -39.9 -2.3 29.8 102.2 86 89 A A H X S+ 0 0 27 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.897 104.9 51.0 -56.2 -40.0 -4.9 29.3 99.4 87 90 A E H < S+ 0 0 55 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.6 42.7 -64.4 -39.3 -6.9 32.2 100.8 88 91 A R H >< S+ 0 0 20 -4,-1.5 3,-1.7 1,-0.2 4,-0.2 0.851 106.4 61.6 -75.2 -35.8 -3.7 34.4 100.8 89 92 A K H >< S+ 0 0 19 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.843 96.6 60.4 -60.3 -32.9 -2.6 33.1 97.4 90 93 A A T 3< S+ 0 0 88 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.661 105.7 49.5 -69.4 -13.9 -5.8 34.6 95.9 91 94 A L T < S+ 0 0 105 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.317 83.1 131.7-106.5 5.1 -4.7 38.0 97.1 92 95 A L < - 0 0 20 -3,-1.3 2,-0.3 -4,-0.2 3,-0.1 -0.238 30.6-176.9 -63.5 145.4 -1.1 38.0 95.7 93 96 A T > - 0 0 76 1,-0.1 4,-2.3 35,-0.0 5,-0.2 -0.959 36.7-113.5-136.5 154.9 0.3 40.9 93.7 94 97 A H H > S+ 0 0 59 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.931 117.1 42.7 -51.0 -55.7 3.7 41.1 92.1 95 98 A D H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 109.5 59.3 -64.6 -34.4 5.0 43.9 94.4 96 99 A D H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.947 109.1 43.7 -57.9 -51.3 3.5 42.2 97.5 97 100 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.926 113.7 49.7 -63.2 -45.9 5.6 39.1 96.8 98 101 A K H X S+ 0 0 31 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.0 49.4 -62.5 -41.8 8.8 41.0 96.0 99 102 A Q H X S+ 0 0 140 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.930 114.7 42.5 -64.2 -46.7 8.6 43.1 99.1 100 103 A R H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.912 114.4 50.9 -67.7 -41.9 8.1 40.3 101.6 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.937 111.1 49.2 -60.6 -46.0 10.7 38.0 99.9 102 105 A W H X S+ 0 0 49 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.848 105.6 57.9 -63.1 -34.2 13.2 40.8 100.1 103 106 A Q H X S+ 0 0 88 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.948 112.6 39.3 -61.2 -47.8 12.5 41.5 103.8 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.888 111.7 57.8 -70.0 -37.0 13.3 37.9 104.7 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.884 103.5 53.6 -61.2 -37.3 16.3 37.8 102.3 106 109 A K H X S+ 0 0 130 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 107.2 50.5 -65.1 -37.6 17.8 40.8 104.1 107 110 A W H X S+ 0 0 86 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.903 110.7 51.0 -63.8 -39.4 17.5 38.9 107.4 108 111 A Q H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.916 108.3 49.8 -64.6 -43.1 19.3 36.0 105.7 109 112 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.938 110.4 51.4 -59.6 -44.3 22.1 38.2 104.4 110 113 A A H 3<5S+ 0 0 44 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.788 108.1 54.2 -61.2 -29.2 22.5 39.5 108.0 111 114 A N T 3<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.2 213,-0.3 0.095 121.3-105.3 -95.0 19.9 22.7 35.9 109.2 112 115 A G T < 5S+ 0 0 1 -3,-1.7 -58,-1.9 1,-0.2 2,-0.6 0.690 70.1 146.5 67.4 22.5 25.5 34.9 106.8 113 116 A I E < +i 54 0C 1 -5,-2.5 -1,-0.2 -60,-0.2 -58,-0.2 -0.829 13.4 163.7 -95.2 117.2 23.4 32.9 104.4 114 117 A Q E + 0 0 1 -60,-1.6 31,-2.6 -2,-0.6 2,-0.4 0.411 63.4 54.7-111.8 -1.4 24.6 33.2 100.8 115 118 A H E +ik 55 145C 9 -61,-0.8 -59,-2.7 29,-0.2 2,-0.4 -0.994 62.9 173.0-136.9 125.3 22.8 30.3 99.3 116 119 A V E -ik 56 146C 0 29,-2.1 31,-3.0 -2,-0.4 2,-0.6 -0.999 19.7-161.2-138.4 134.4 19.0 29.9 99.5 117 120 A R E - 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