==== 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 1R9Y . 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) . 18943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 72.8 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 . 51 12.1 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 . 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 0 105 0, 0.0 398,-0.1 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0 151.4 40.4 45.2 98.3 2 5 A L + 0 0 42 396,-0.5 40,-0.2 1,-0.1 3,-0.1 -0.290 360.0 176.8 -57.2 135.4 40.9 42.5 101.0 3 6 A Q + 0 0 113 38,-3.3 18,-3.0 1,-0.3 2,-0.3 0.647 60.3 19.9-113.0 -24.8 44.0 40.4 100.4 4 7 A T E -Ab 20 42A 15 37,-1.7 39,-3.1 16,-0.2 2,-0.5 -0.999 48.9-149.6-151.5 149.3 43.9 38.0 103.4 5 8 A I E -Ab 19 43A 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.987 36.8-168.5-112.7 121.8 41.8 36.5 106.1 6 9 A I E + b 0 44A 2 37,-2.2 39,-2.6 -2,-0.5 40,-0.4 -0.751 52.6 22.2-116.2 163.5 44.1 35.9 109.1 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.0 1,-0.2 41,-0.4 0.875 80.3 164.8 53.3 46.0 43.9 34.0 112.4 8 11 A A E -A 17 0A 0 9,-2.6 9,-2.4 -3,-0.3 2,-0.3 -0.737 30.8-150.1 -97.5 138.4 41.1 31.8 111.2 9 12 A R B -e 49 0B 69 39,-2.5 41,-3.0 -2,-0.4 7,-0.1 -0.801 15.1-157.1 -99.1 148.1 40.0 28.5 112.8 10 13 A L > - 0 0 26 5,-0.4 3,-2.0 -2,-0.3 41,-0.1 -0.976 26.9 -97.7-127.4 141.3 38.6 25.8 110.5 11 14 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.284 107.5 7.7 -57.5 139.1 36.3 23.0 111.4 12 15 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.492 110.0 107.7 69.6 2.1 38.1 19.7 112.0 13 16 A E < - 0 0 108 -3,-2.0 -3,-0.2 2,-0.1 2,-0.2 -0.840 65.6-126.9-114.2 152.7 41.5 21.4 111.8 14 17 A E - 0 0 167 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.615 65.5 -6.3 -91.7 154.0 44.0 22.2 114.5 15 18 A G S S- 0 0 39 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.071 93.9 -40.9 68.2-161.3 45.4 25.7 115.0 16 19 A L E - C 0 32A 15 16,-0.6 16,-2.8 -7,-0.1 2,-0.3 -0.790 49.9-158.6-110.2 152.6 45.1 29.0 113.0 17 20 A W E -AC 8 31A 50 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.5 -0.934 13.1-142.1-135.1 154.5 45.0 29.6 109.3 18 21 A Q E - C 0 30A 39 12,-3.0 12,-2.5 -2,-0.3 2,-0.6 -0.958 13.9-158.1-115.9 127.9 45.6 32.3 106.8 19 22 A I E -AC 5 29A 0 -14,-3.0 -14,-2.2 -2,-0.5 2,-0.4 -0.929 10.2-151.3-111.3 111.2 43.4 32.4 103.7 20 23 A H E -AC 4 28A 48 8,-2.9 7,-2.5 -2,-0.6 8,-1.1 -0.669 10.5-158.3 -85.9 134.9 44.9 34.4 100.8 21 24 A L E + C 0 26A 15 -18,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.891 16.7 166.2-116.5 141.9 42.6 36.1 98.4 22 25 A Q E > - C 0 25A 121 3,-2.6 3,-1.5 -2,-0.4 -19,-0.1 -0.927 67.6 -7.4-156.3 127.5 43.2 37.2 94.8 23 26 A D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.868 127.8 -53.3 56.3 41.7 40.8 38.3 92.0 24 27 A G T 3 S+ 0 0 27 1,-0.2 347,-3.0 374,-0.1 -1,-0.3 0.541 121.9 94.6 74.3 6.7 37.7 37.4 94.1 25 28 A K E < S-CD 22 370A 111 -3,-1.5 -3,-2.6 345,-0.3 2,-0.7 -0.787 84.7 -99.8-125.8 168.4 39.0 33.9 94.7 26 29 A I E -C 21 0A 2 343,-2.8 342,-3.2 340,-0.3 -5,-0.3 -0.810 35.4-178.4 -88.2 117.6 40.9 31.9 97.4 27 30 A S E - 0 0 52 -7,-2.5 2,-0.3 -2,-0.7 -6,-0.2 0.841 61.5 -15.9 -86.4 -36.7 44.4 31.7 96.1 28 31 A A E -C 20 0A 33 -8,-1.1 -8,-2.9 339,-0.1 2,-0.4 -0.982 49.5-142.7-165.5 156.2 45.9 29.6 98.9 29 32 A I E +C 19 0A 48 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.988 25.0 179.8-129.2 119.5 45.4 28.5 102.4 30 33 A D E -C 18 0A 80 -12,-2.5 -12,-3.0 -2,-0.4 2,-0.1 -0.954 26.2-119.6-125.3 141.3 48.4 28.3 104.8 31 34 A A E -C 17 0A 66 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.408 24.0-143.1 -74.4 151.3 48.7 27.2 108.4 32 35 A Q E -C 16 0A 19 -16,-2.8 -16,-0.6 -2,-0.1 3,-0.1 -0.851 8.8-151.4-111.5 151.7 50.0 29.7 111.0 33 36 A S S S- 0 0 137 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.457 80.9 -7.2 -99.3 -3.8 52.3 28.8 113.9 34 37 A G S S- 0 0 37 -18,-0.1 2,-0.4 -19,-0.0 -27,-0.2 -0.919 100.2 -47.2-167.2-171.5 50.9 31.6 116.0 35 38 A V - 0 0 92 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.618 53.0-140.4 -79.8 130.2 48.8 34.7 115.9 36 39 A M - 0 0 71 -2,-0.4 2,-0.2 1,-0.1 -30,-0.1 -0.608 19.2-111.2 -88.9 147.6 49.4 37.1 112.9 37 40 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -30,-0.0 -0.504 32.4-114.9 -77.8 149.0 49.4 40.8 113.3 38 41 A I + 0 0 97 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.321 44.1 160.1 -75.2 164.1 46.6 42.8 111.6 39 42 A T > - 0 0 72 3,-0.3 3,-1.8 -2,-0.0 5,-0.1 -0.967 46.1 -51.8-171.7 172.1 47.3 45.2 108.8 40 43 A E T 3 S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.304 123.1 15.7 -58.4 137.5 45.8 47.0 105.8 41 44 A N T 3 S+ 0 0 71 1,-0.2 -38,-3.3 -38,-0.1 -37,-1.7 0.566 101.5 114.9 74.3 9.9 43.8 44.7 103.5 42 45 A S E < -b 4 0A 21 -3,-1.8 2,-0.7 -39,-0.2 -3,-0.3 -0.946 55.1-152.4-113.2 129.9 43.7 42.0 106.1 43 46 A L E -b 5 0A 16 -39,-3.1 -37,-2.2 -2,-0.5 2,-0.7 -0.909 18.2-141.9-101.2 118.8 40.4 40.9 107.7 44 47 A D E -b 6 0A 40 -2,-0.7 -37,-0.2 -39,-0.2 -39,-0.1 -0.729 17.2-170.9 -86.8 114.0 41.2 39.6 111.2 45 48 A A > - 0 0 6 -39,-2.6 3,-1.5 -2,-0.7 -38,-0.2 0.598 30.8-141.9 -75.0 -11.4 39.0 36.5 112.1 46 49 A E T 3 - 0 0 141 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.857 65.7 -54.0 51.1 43.3 40.4 37.0 115.6 47 50 A Q T 3 S+ 0 0 79 -40,-2.0 -1,-0.3 -41,-0.2 -39,-0.2 0.723 107.5 137.6 64.5 22.7 40.7 33.2 116.2 48 51 A G < - 0 0 3 -3,-1.5 -39,-2.5 -41,-0.4 2,-0.4 -0.362 62.9 -86.2 -87.1 175.2 37.0 32.9 115.3 49 52 A L E -eF 9 376B 3 327,-1.9 327,-2.8 329,-0.7 2,-0.5 -0.713 35.7-157.7 -91.5 129.4 35.7 30.2 113.0 50 53 A V E + F 0 375B 1 -41,-3.0 325,-0.2 -2,-0.4 315,-0.1 -0.922 23.0 159.2-109.2 127.4 35.8 30.6 109.2 51 54 A I E - F 0 374B 4 323,-2.1 323,-2.9 -2,-0.5 3,-0.1 -0.911 46.5 -91.0-139.7 162.6 33.4 28.5 107.2 52 55 A P S S- 0 0 5 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.326 72.5 -66.8 -67.1 165.6 31.8 28.6 103.7 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.072 52.1-103.8 -55.3 150.2 28.4 30.5 103.7 54 57 A F E -i 113 0C 6 58,-2.1 60,-1.6 57,-0.1 61,-0.8 -0.371 39.4-145.0 -67.2 156.2 25.4 29.2 105.5 55 58 A V E -i 115 0C 0 295,-1.9 61,-0.2 58,-0.2 252,-0.1 -0.964 13.7-152.7-127.8 142.5 22.8 27.7 103.1 56 59 A E E +i 116 0C 0 59,-2.9 61,-2.7 -2,-0.4 3,-0.2 -0.888 17.8 176.8-112.7 96.7 19.0 27.8 103.2 57 60 A P E + 0 0 0 0, 0.0 2,-0.2 0, 0.0 251,-0.1 0.623 68.8 28.7 -76.3 -11.9 18.0 24.6 101.3 58 61 A H E S+ 0 0 0 249,-0.2 252,-2.9 213,-0.1 2,-0.3 -0.749 70.5 133.9-155.6 102.8 14.3 25.0 101.8 59 62 A I E -ij 118 310C 0 58,-1.7 60,-2.5 -2,-0.2 2,-0.7 -0.973 43.8-133.2-144.0 157.8 12.2 28.1 102.3 60 63 A H >> + 0 0 19 250,-1.4 4,-0.9 -2,-0.3 3,-0.8 -0.822 26.4 170.3-113.5 89.7 9.0 29.6 101.0 61 64 A L T 34 S+ 0 0 0 -2,-0.7 -1,-0.1 58,-0.3 43,-0.1 0.653 71.7 69.4 -74.0 -13.7 9.7 33.2 100.0 62 65 A D T 34 S+ 0 0 9 57,-0.6 -1,-0.2 1,-0.2 38,-0.1 0.786 111.5 29.4 -75.9 -22.1 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 0.492 92.5 123.6-110.8 -7.1 4.4 33.4 101.7 64 67 A T T 3< S+ 0 0 0 -4,-0.9 249,-0.2 1,-0.2 250,-0.1 -0.155 70.1 18.9 -59.7 148.2 7.1 34.9 104.0 65 68 A Q T 3 S+ 0 0 24 247,-1.9 -1,-0.2 1,-0.1 249,-0.2 0.581 91.2 108.1 70.9 15.1 6.3 37.9 106.2 66 69 A T X + 0 0 2 -3,-1.0 3,-1.9 247,-0.3 248,-0.2 0.422 35.5 129.1-102.9 0.7 2.5 37.6 106.0 67 70 A A T 3 S+ 0 0 10 246,-2.3 5,-0.1 1,-0.3 247,-0.0 -0.307 78.3 17.2 -57.5 137.3 1.7 36.4 109.5 68 71 A G T 3 S+ 0 0 18 3,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.482 88.5 154.3 80.5 3.6 -1.1 38.5 111.0 69 72 A Q S < S- 0 0 79 -3,-1.9 -1,-0.2 2,-0.2 19,-0.1 -0.917 86.3 -19.8-115.8 111.4 -2.3 40.0 107.7 70 73 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.983 146.9 4.7 -84.9 -14.9 -5.1 40.7 107.9 71 74 A N S S- 0 0 82 13,-0.3 -3,-0.6 0, 0.0 -2,-0.2 -0.873 73.3-110.0-127.2 160.4 -5.6 38.4 110.9 72 75 A W - 0 0 134 -2,-0.3 2,-0.9 -4,-0.3 -5,-0.1 -0.595 28.0-115.5 -89.9 150.1 -3.4 36.2 113.1 73 76 A N + 0 0 32 -2,-0.2 8,-0.1 1,-0.2 -1,-0.0 -0.761 38.3 178.8 -80.8 108.2 -3.5 32.4 113.2 74 77 A Q S S+ 0 0 159 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.0 0.798 75.3 44.5 -86.5 -30.2 -4.8 32.0 116.8 75 78 A S S S- 0 0 61 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.780 96.0-138.4 -82.8 -27.2 -5.0 28.2 116.9 76 79 A G + 0 0 20 1,-0.3 -3,-0.1 239,-0.1 -2,-0.1 0.445 54.8 140.2 82.7 1.7 -1.6 27.8 115.2 77 80 A T > - 0 0 45 1,-0.1 4,-1.8 205,-0.0 -1,-0.3 -0.296 65.4-121.2 -79.1 161.9 -3.0 24.9 113.2 78 81 A L H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 112.7 55.9 -62.8 -47.3 -2.4 24.2 109.5 79 82 A F H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.917 109.8 43.3 -52.3 -52.4 -6.2 24.4 108.8 80 83 A E H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.849 108.2 60.9 -66.0 -32.2 -6.4 28.0 110.2 81 84 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.905 103.1 50.6 -60.3 -40.4 -3.2 28.9 108.4 82 85 A I H X S+ 0 0 92 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.914 112.2 47.1 -63.1 -42.5 -4.9 28.1 105.1 83 86 A E H X S+ 0 0 87 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.884 110.6 51.2 -67.4 -39.9 -7.9 30.3 106.0 84 87 A R H < S+ 0 0 47 -4,-2.8 4,-0.4 1,-0.2 -13,-0.3 0.881 110.1 50.0 -65.6 -37.5 -5.8 33.2 107.2 85 88 A W H >< S+ 0 0 57 -4,-2.1 3,-1.6 -5,-0.2 4,-0.3 0.910 106.5 55.6 -66.3 -42.0 -3.8 33.1 104.0 86 89 A A H >< S+ 0 0 60 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.808 100.0 60.2 -60.8 -31.1 -7.0 33.1 101.9 87 90 A E T 3< S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.2 3,-0.3 0.641 102.9 52.9 -72.4 -13.6 -8.1 36.3 103.7 88 91 A R T X> S+ 0 0 12 -3,-1.6 3,-3.0 -4,-0.4 4,-0.5 0.443 73.5 110.5 -99.8 -2.0 -5.0 38.1 102.4 89 92 A K G X4 + 0 0 155 -3,-1.0 3,-1.3 -4,-0.3 -1,-0.2 0.774 69.0 63.4 -43.5 -38.8 -5.6 37.1 98.7 90 93 A A G 34 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.687 103.3 49.9 -64.1 -17.2 -6.5 40.7 97.7 91 94 A L G <4 S+ 0 0 93 -3,-3.0 2,-1.4 1,-0.1 -1,-0.3 0.531 79.3 109.2 -98.3 -7.7 -2.9 41.8 98.7 92 95 A L << + 0 0 46 -3,-1.3 2,-0.3 -4,-0.5 36,-0.1 -0.544 47.2 141.6 -76.0 92.6 -1.1 39.1 96.7 93 96 A T > - 0 0 68 -2,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.781 66.0 -99.6-126.2 170.3 0.4 41.1 93.9 94 97 A H H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.951 123.9 43.6 -52.6 -56.9 3.7 41.1 91.9 95 98 A D H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.834 110.9 55.6 -60.9 -36.0 5.1 43.9 94.0 96 99 A D H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 108.1 47.6 -64.7 -44.9 3.9 42.4 97.2 97 100 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.929 113.4 48.2 -62.7 -44.9 5.7 39.2 96.6 98 101 A K H X S+ 0 0 33 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.919 111.3 50.5 -62.0 -42.9 8.9 41.0 95.7 99 102 A Q H X S+ 0 0 111 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.927 115.1 41.3 -61.6 -47.4 8.8 43.2 98.7 100 103 A R H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.898 113.7 52.1 -70.3 -40.0 8.3 40.4 101.2 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.935 110.7 49.3 -61.0 -45.0 10.8 38.1 99.5 102 105 A W H X S+ 0 0 51 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.848 105.5 57.8 -63.1 -34.2 13.4 40.8 99.7 103 106 A Q H X S+ 0 0 69 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.940 112.0 40.0 -62.4 -47.0 12.7 41.5 103.3 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 111.7 57.2 -69.8 -37.5 13.5 37.9 104.3 105 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.875 104.2 53.4 -60.9 -35.7 16.4 37.8 101.8 106 109 A K H X S+ 0 0 123 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 107.5 50.3 -66.4 -37.5 17.9 40.8 103.6 107 110 A W H X S+ 0 0 71 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.899 111.0 50.5 -64.1 -39.3 17.7 38.9 107.0 108 111 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.915 108.6 50.1 -65.5 -42.4 19.4 36.0 105.3 109 112 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.935 110.5 50.8 -59.9 -45.0 22.2 38.2 103.9 110 113 A A H 3<5S+ 0 0 43 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.795 108.5 54.0 -62.0 -28.3 22.7 39.6 107.5 111 114 A N T 3<5S- 0 0 28 -4,-1.3 -1,-0.3 -3,-0.2 213,-0.3 0.080 121.4-105.1 -95.4 21.2 22.8 36.0 108.7 112 115 A G T < 5S+ 0 0 0 -3,-1.7 -58,-2.1 1,-0.2 2,-0.6 0.705 70.6 145.9 65.7 23.7 25.6 34.9 106.4 113 116 A I E < +i 54 0C 1 -5,-2.6 -1,-0.2 -60,-0.2 -58,-0.2 -0.841 13.7 163.8 -96.3 116.6 23.4 32.9 104.0 114 117 A Q E + 0 0 1 -60,-1.6 31,-2.6 -2,-0.6 2,-0.4 0.413 63.5 55.1-111.1 -1.7 24.6 33.2 100.4 115 118 A H E +ik 55 145C 10 -61,-0.8 -59,-2.9 29,-0.2 2,-0.4 -0.994 62.3 172.4-136.1 126.3 22.7 30.3 98.9 116 119 A V E -ik 56 146C 0 29,-2.0 31,-3.0 -2,-0.4 2,-0.6 -0.999 19.1-161.5-138.9 134.6 18.9 29.9 99.1 117 120 A R E - 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