==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-01 1K6W . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.C.IRETON,G.MCDERMOTT,M.E.BLACK,B.L.STODDARD . 423 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18813.0 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 . 36 8.5 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 36.5 40.3 45.1 98.3 2 5 A L + 0 0 40 396,-0.6 22,-0.2 1,-0.1 40,-0.2 -0.298 360.0 175.4 -58.1 134.1 40.8 42.3 100.9 3 6 A Q + 0 0 116 38,-3.1 18,-3.2 1,-0.3 2,-0.3 0.642 61.0 21.0-112.7 -23.4 43.9 40.2 100.3 4 7 A T E -Ab 20 42A 16 37,-1.7 39,-3.1 16,-0.2 2,-0.5 -1.000 48.9-150.1-151.3 140.2 43.8 37.9 103.3 5 8 A I E -Ab 19 43A 0 14,-2.5 14,-3.0 -2,-0.3 2,-0.3 -0.984 37.4-168.0 -98.2 124.6 41.6 36.4 106.1 6 9 A I E + b 0 44A 3 37,-2.3 39,-2.7 -2,-0.5 40,-0.4 -0.757 52.5 22.2-116.2 163.4 43.9 35.8 109.1 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.1 1,-0.2 41,-0.4 0.871 80.4 165.5 55.3 43.9 43.7 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 -0.729 30.7-150.9 -96.5 138.4 41.0 31.7 111.2 9 12 A R B -e 49 0B 66 39,-2.4 41,-3.0 -2,-0.4 7,-0.1 -0.803 15.5-157.2 -98.8 146.5 39.9 28.4 112.8 10 13 A L > - 0 0 25 5,-0.4 3,-2.0 -2,-0.3 41,-0.1 -0.975 27.0 -98.0-126.5 141.0 38.5 25.8 110.5 11 14 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.292 107.7 8.5 -57.2 136.9 36.1 22.9 111.4 12 15 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.537 109.5 105.5 71.0 6.1 38.0 19.7 112.0 13 16 A E < - 0 0 108 -3,-2.0 -3,-0.3 2,-0.1 -1,-0.2 -0.902 66.1-127.6-119.6 150.1 41.4 21.3 111.8 14 17 A E - 0 0 170 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.565 66.1 -3.3 -88.9 150.7 43.8 22.2 114.5 15 18 A G S S- 0 0 40 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.063 94.1 -41.5 78.8-163.6 45.3 25.6 115.0 16 19 A L E - C 0 32A 14 16,-0.6 16,-2.9 -7,-0.1 2,-0.3 -0.793 49.5-158.2-110.9 152.0 44.9 28.9 113.0 17 20 A W E -AC 8 31A 50 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.5 -0.943 13.0-142.1-135.3 152.7 44.9 29.4 109.3 18 21 A Q E - C 0 30A 37 12,-3.2 12,-2.5 -2,-0.3 2,-0.6 -0.945 13.8-158.7-113.4 129.4 45.5 32.2 106.8 19 22 A I E -AC 5 29A 0 -14,-3.0 -14,-2.5 -2,-0.5 2,-0.4 -0.934 10.5-152.1-112.5 110.4 43.2 32.3 103.7 20 23 A H E -AC 4 28A 47 8,-2.9 7,-2.6 -2,-0.6 8,-1.2 -0.669 10.0-157.9 -86.1 136.3 44.8 34.3 100.8 21 24 A L E + C 0 26A 15 -18,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.895 16.3 168.0-117.6 142.4 42.5 36.0 98.3 22 25 A Q E > - C 0 25A 128 3,-2.8 3,-1.9 -2,-0.4 349,-0.1 -0.948 68.4 -8.8-154.5 129.7 43.1 37.1 94.7 23 26 A D T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.866 127.9 -53.0 51.7 43.5 40.7 38.3 92.0 24 27 A G T 3 S+ 0 0 28 1,-0.2 347,-3.0 -22,-0.2 -1,-0.3 0.548 121.8 96.2 73.8 6.7 37.6 37.4 94.1 25 28 A K E < S-CD 22 370A 117 -3,-1.9 -3,-2.8 345,-0.3 2,-0.6 -0.797 83.8-101.8-124.1 166.5 38.8 33.8 94.7 26 29 A I E -C 21 0A 2 343,-2.8 342,-3.3 340,-0.3 -5,-0.3 -0.802 35.2-178.1 -86.7 119.4 40.7 31.9 97.3 27 30 A S E - 0 0 53 -7,-2.6 2,-0.3 -2,-0.6 -6,-0.2 0.809 61.2 -15.1 -90.0 -33.1 44.3 31.6 96.0 28 31 A A E -C 20 0A 32 -8,-1.2 -8,-2.9 338,-0.1 2,-0.4 -0.978 49.8-142.8-167.1 156.4 45.8 29.6 98.9 29 32 A I E -C 19 0A 47 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.991 24.8-179.9-129.9 120.9 45.2 28.4 102.4 30 33 A D E -C 18 0A 78 -12,-2.5 -12,-3.2 -2,-0.4 2,-0.1 -0.960 26.2-120.0-126.2 141.2 48.2 28.2 104.8 31 34 A A E -C 17 0A 65 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.426 23.9-144.0 -74.7 150.8 48.5 27.1 108.4 32 35 A Q E -C 16 0A 19 -16,-2.9 -16,-0.6 -2,-0.1 3,-0.1 -0.832 8.5-150.7-110.1 153.5 49.8 29.7 110.9 33 36 A S S S- 0 0 139 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.411 80.8 -6.4-102.4 0.2 52.0 28.7 113.9 34 37 A G S S- 0 0 39 -18,-0.1 2,-0.3 -19,-0.0 -27,-0.2 -0.928 101.0 -47.1-169.5-172.4 50.7 31.5 116.0 35 38 A V - 0 0 92 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.605 53.3-140.1 -79.0 131.5 48.6 34.7 115.9 36 39 A M - 0 0 73 -2,-0.3 2,-0.1 1,-0.1 -30,-0.1 -0.635 19.8-110.6 -90.0 146.9 49.2 36.9 112.9 37 40 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -30,-0.0 -0.483 32.4-115.0 -76.7 149.1 49.2 40.7 113.2 38 41 A I + 0 0 100 -2,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.299 43.8 162.0 -74.2 165.7 46.4 42.7 111.6 39 42 A T > - 0 0 65 3,-0.3 3,-2.0 -2,-0.0 5,-0.1 -0.963 46.1 -55.0-173.2 168.6 47.2 45.0 108.7 40 43 A E T 3 S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.311 123.1 16.4 -57.0 134.0 45.6 46.9 105.8 41 44 A N T 3 S+ 0 0 74 1,-0.2 -38,-3.1 -39,-0.1 -37,-1.7 0.524 100.8 112.7 78.9 6.7 43.7 44.6 103.5 42 45 A S E < -b 4 0A 20 -3,-2.0 2,-0.7 -39,-0.2 -3,-0.3 -0.939 56.4-150.7-111.4 132.1 43.6 41.8 106.1 43 46 A L E -b 5 0A 16 -39,-3.1 -37,-2.3 -2,-0.5 2,-0.7 -0.914 18.6-141.5-101.4 118.1 40.3 40.7 107.7 44 47 A D E -b 6 0A 39 -2,-0.7 -37,-0.2 -39,-0.2 -39,-0.1 -0.722 17.9-171.0 -86.6 114.3 41.0 39.4 111.1 45 48 A A > - 0 0 6 -39,-2.7 3,-1.7 -2,-0.7 -38,-0.2 0.586 31.2-142.2 -75.6 -10.2 38.8 36.4 112.1 46 49 A E T 3 - 0 0 136 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.850 65.4 -53.8 49.7 43.4 40.3 36.9 115.6 47 50 A Q T 3 S+ 0 0 81 -40,-2.1 -1,-0.3 -41,-0.3 -39,-0.2 0.701 108.3 135.4 66.0 21.0 40.5 33.1 116.2 48 51 A G < - 0 0 3 -3,-1.7 -39,-2.4 -41,-0.4 2,-0.4 -0.341 64.2 -85.2 -87.2 176.4 36.9 32.8 115.3 49 52 A L E -eF 9 376B 3 327,-2.0 327,-2.9 329,-0.7 2,-0.5 -0.705 35.7-158.0 -91.7 133.2 35.6 30.1 113.0 50 53 A V E + F 0 375B 1 -41,-3.0 325,-0.2 -2,-0.4 315,-0.1 -0.943 22.6 159.8-112.5 127.6 35.6 30.5 109.2 51 54 A I E - F 0 374B 4 323,-2.1 323,-3.0 -2,-0.5 3,-0.1 -0.914 46.7 -91.4-139.9 162.1 33.3 28.5 107.1 52 55 A P S S- 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.328 73.2 -67.0 -75.9 149.7 31.7 28.6 103.6 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.052 51.9-102.9 -43.2 153.3 28.4 30.4 103.7 54 57 A F E -i 113 0C 5 58,-2.2 60,-1.6 57,-0.1 61,-0.8 -0.403 39.6-145.2 -69.2 156.0 25.3 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 -0.957 14.0-152.7-127.8 142.5 22.7 27.7 103.1 56 59 A E E +i 116 0C 0 59,-2.8 61,-2.8 -2,-0.4 3,-0.2 -0.888 18.3 176.8-112.7 95.6 18.9 27.7 103.2 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.2 0.617 68.5 28.5 -76.4 -10.4 18.0 24.5 101.3 58 61 A H E S+ 0 0 0 249,-0.1 252,-2.9 213,-0.1 251,-0.3 -0.760 70.9 132.2-157.1 104.5 14.2 24.9 101.8 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.7 -2,-0.3 2,-0.7 -0.970 45.0-131.9-147.2 158.6 12.1 28.0 102.2 60 63 A H >> + 0 0 14 250,-1.6 4,-0.9 -2,-0.3 3,-0.8 -0.836 25.9 171.6-114.3 89.9 8.9 29.5 100.8 61 64 A L T 34 S+ 0 0 0 -2,-0.7 -1,-0.1 58,-0.4 43,-0.1 0.650 73.9 67.5 -72.7 -13.5 9.7 33.1 99.9 62 65 A D T 34 S+ 0 0 7 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.793 111.5 31.5 -77.6 -22.6 6.3 33.4 98.2 63 66 A T T X4 S+ 0 0 14 -3,-0.8 3,-0.9 37,-0.1 -2,-0.2 0.525 92.3 121.7-108.0 -7.4 4.5 33.1 101.5 64 67 A T T 3< S+ 0 0 0 -4,-0.9 249,-0.2 1,-0.2 250,-0.1 -0.132 70.0 18.5 -61.0 150.7 7.0 34.7 103.9 65 68 A Q T 3 S+ 0 0 24 247,-1.9 -1,-0.2 1,-0.1 249,-0.2 0.610 89.7 109.5 67.7 18.4 6.2 37.8 106.1 66 69 A T X + 0 0 1 -3,-0.9 3,-1.9 247,-0.5 248,-0.2 0.416 35.4 129.5-103.4 0.9 2.5 37.4 105.9 67 70 A A T 3 S+ 0 0 11 246,-2.1 5,-0.2 1,-0.3 247,-0.0 -0.310 77.8 16.9 -57.6 135.9 1.6 36.3 109.4 68 71 A G T 3 S+ 0 0 18 3,-0.7 4,-0.3 1,-0.2 -1,-0.3 0.500 89.1 154.2 81.5 4.6 -1.1 38.4 110.9 69 72 A Q S < S- 0 0 82 -3,-1.9 -1,-0.2 2,-0.3 19,-0.1 -0.920 86.1 -19.5-117.3 111.1 -2.3 39.8 107.6 70 73 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.981 147.2 2.9 -82.8 -16.4 -5.2 40.5 107.8 71 74 A N S S- 0 0 82 13,-0.3 -3,-0.7 0, 0.0 -2,-0.3 -0.879 73.2-108.9-128.2 160.0 -5.6 38.3 110.9 72 75 A W - 0 0 131 -4,-0.3 2,-0.9 -2,-0.3 -5,-0.1 -0.559 28.4-115.4 -87.6 146.4 -3.4 36.1 113.1 73 76 A N + 0 0 32 -2,-0.2 8,-0.1 1,-0.2 -1,-0.1 -0.781 38.7 178.2 -73.6 107.3 -3.5 32.3 113.2 74 77 A Q S S+ 0 0 158 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.0 0.815 74.9 44.8 -87.3 -32.6 -4.7 31.9 116.8 75 78 A S S S- 0 0 61 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.795 96.8-137.8 -79.5 -28.6 -5.0 28.1 117.0 76 79 A G + 0 0 19 1,-0.3 -3,-0.1 239,-0.1 -2,-0.0 0.402 54.4 141.2 85.7 -1.2 -1.6 27.7 115.3 77 80 A T > - 0 0 44 1,-0.1 4,-2.2 4,-0.0 -1,-0.3 -0.272 64.5-122.4 -76.6 159.8 -3.0 24.8 113.2 78 81 A L H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 113.1 55.0 -62.2 -45.9 -2.4 24.0 109.6 79 82 A F H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 110.6 42.7 -54.6 -51.5 -6.1 24.3 108.9 80 83 A E H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.878 110.3 58.5 -66.2 -35.1 -6.4 27.8 110.3 81 84 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 103.8 51.3 -59.5 -41.7 -3.2 28.8 108.6 82 85 A I H X S+ 0 0 90 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.921 111.9 47.6 -61.0 -42.5 -4.8 27.9 105.2 83 86 A E H X S+ 0 0 89 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.903 110.0 51.1 -65.7 -42.3 -7.8 30.0 106.0 84 87 A R H < S+ 0 0 46 -4,-2.9 4,-0.4 1,-0.2 -13,-0.3 0.863 109.9 50.9 -64.3 -35.2 -5.7 33.0 107.2 85 88 A W H >< S+ 0 0 58 -4,-2.1 3,-1.7 -5,-0.2 4,-0.3 0.923 106.7 54.3 -66.9 -43.8 -3.7 32.8 103.9 86 89 A A H >< S+ 0 0 64 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.848 101.0 60.3 -58.8 -34.9 -6.9 32.8 101.9 87 90 A E T 3< S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.640 102.0 54.0 -68.8 -13.4 -8.1 36.0 103.7 88 91 A R T X> S+ 0 0 14 -3,-1.7 3,-2.5 -4,-0.4 4,-0.5 0.413 72.7 111.4-100.6 1.5 -5.0 37.8 102.3 89 92 A K G X4 + 0 0 151 -3,-1.4 3,-1.2 -4,-0.3 -1,-0.2 0.775 68.9 61.9 -46.3 -38.7 -5.6 36.9 98.6 90 93 A A G 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.713 103.7 51.0 -64.0 -20.3 -6.5 40.5 97.6 91 94 A L G <4 S+ 0 0 92 -3,-2.5 2,-1.4 1,-0.1 -1,-0.3 0.555 79.7 107.2 -93.9 -8.9 -3.0 41.6 98.6 92 95 A L << + 0 0 42 -3,-1.2 2,-0.2 -4,-0.5 -1,-0.1 -0.549 48.0 140.2 -77.2 92.7 -1.1 38.9 96.6 93 96 A T > - 0 0 67 -2,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.740 67.1 -96.9-125.3 173.4 0.4 40.9 93.8 94 97 A H H > S+ 0 0 57 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.957 124.8 43.2 -54.2 -56.5 3.7 40.9 91.8 95 98 A D H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.838 111.2 55.8 -61.9 -35.1 5.1 43.8 93.9 96 99 A D H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 108.3 47.0 -64.3 -46.3 3.8 42.3 97.2 97 100 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.933 113.6 48.6 -62.2 -45.3 5.7 39.0 96.6 98 101 A K H X S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.919 111.2 49.9 -62.0 -42.0 8.8 40.8 95.6 99 102 A Q H X S+ 0 0 111 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.926 115.5 41.9 -62.8 -45.6 8.7 43.1 98.7 100 103 A R H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.903 113.7 51.1 -70.6 -41.4 8.2 40.2 101.1 101 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.3 49.6 -60.6 -45.1 10.7 37.9 99.5 102 105 A W H X S+ 0 0 50 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.858 105.5 57.5 -62.8 -34.9 13.3 40.7 99.6 103 106 A Q H X S+ 0 0 68 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.937 112.1 40.1 -62.5 -46.1 12.6 41.4 103.3 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.891 111.4 57.5 -70.7 -36.9 13.4 37.8 104.2 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.878 104.1 53.3 -61.0 -35.7 16.4 37.7 101.8 106 109 A K H X S+ 0 0 122 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.896 107.8 50.1 -66.1 -37.4 17.9 40.7 103.6 107 110 A W H X S+ 0 0 71 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.890 111.0 50.6 -65.0 -38.2 17.6 38.8 106.9 108 111 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.916 108.5 50.1 -66.8 -40.9 19.3 35.9 105.2 109 112 A I H ><5S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.936 110.5 51.1 -61.0 -43.7 22.2 38.1 103.9 110 113 A A H 3<5S+ 0 0 43 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.794 108.2 54.2 -62.0 -28.3 22.6 39.5 107.4 111 114 A N T 3<5S- 0 0 27 -4,-1.3 -1,-0.3 -3,-0.2 213,-0.3 0.090 121.4-104.8 -95.7 21.7 22.7 35.8 108.7 112 115 A G T < 5S+ 0 0 0 -3,-1.7 -58,-2.2 1,-0.2 2,-0.6 0.699 71.2 145.7 66.2 21.6 25.5 34.8 106.4 113 116 A I E < +i 54 0C 1 -5,-2.6 -1,-0.2 -60,-0.2 -58,-0.2 -0.826 13.4 162.9 -94.0 117.7 23.3 32.9 104.0 114 117 A Q E + 0 0 0 -60,-1.6 31,-2.6 -2,-0.6 2,-0.4 0.407 63.5 55.7-113.4 -0.4 24.5 33.1 100.4 115 118 A H E +ik 55 145C 9 -61,-0.8 -59,-2.8 29,-0.2 2,-0.4 -0.992 62.5 172.0-136.0 124.5 22.6 30.2 98.9 116 119 A V E -ik 56 146C 0 29,-2.0 31,-3.0 -2,-0.4 2,-0.6 -0.998 19.4-161.6-137.8 135.7 18.9 29.8 99.1 117 120 A R E - 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