==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-09 3G77 . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.STODDARD,L.ZHAO . 423 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 70.7 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 . 35 8.3 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 . 3 0.7 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 . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 27.4 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 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 . 1 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 0 113 0, 0.0 398,-0.1 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0-125.4 40.7 45.7 99.7 2 5 A L + 0 0 38 396,-0.3 40,-0.2 1,-0.1 3,-0.1 -0.016 360.0 157.8 -56.8 125.5 40.8 42.3 101.4 3 6 A Q + 0 0 109 38,-3.4 18,-3.0 1,-0.3 2,-0.3 0.621 64.4 18.4-110.8 -23.0 43.9 40.1 100.9 4 7 A T E -Ab 20 42A 18 37,-1.8 39,-2.9 16,-0.2 2,-0.5 -0.999 49.1-147.7-152.6 144.7 43.8 37.8 103.9 5 8 A I E -Ab 19 43A 0 14,-2.4 14,-3.2 -2,-0.3 2,-0.3 -0.988 37.1-169.0-105.0 125.4 41.6 36.3 106.6 6 9 A I E + b 0 44A 2 37,-2.2 39,-2.7 -2,-0.5 40,-0.4 -0.764 53.2 23.6-116.6 159.6 43.9 35.7 109.6 7 10 A N E S+ 0 0 2 -2,-0.3 40,-2.1 1,-0.2 2,-0.4 0.849 80.8 165.3 59.6 42.5 43.6 33.9 113.0 8 11 A A E -A 17 0A 0 9,-2.5 9,-1.9 -3,-0.2 2,-0.3 -0.741 30.8-151.2 -96.4 132.5 40.9 31.6 111.7 9 12 A R B -e 49 0B 70 39,-2.9 41,-3.1 -2,-0.4 7,-0.1 -0.764 14.8-157.9 -88.8 147.5 39.8 28.4 113.3 10 13 A L > - 0 0 23 5,-0.4 3,-2.0 -2,-0.3 41,-0.1 -0.987 26.6 -99.6-128.2 138.1 38.4 25.7 111.0 11 14 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.266 106.9 9.4 -56.6 136.5 36.1 22.8 111.9 12 15 A G T 3 S+ 0 0 83 1,-0.2 2,-0.4 0, 0.0 368,-0.0 0.520 109.9 105.0 73.7 5.3 37.9 19.5 112.4 13 16 A E < - 0 0 110 -3,-2.0 -3,-0.3 2,-0.1 -1,-0.2 -0.925 66.4-128.2-117.9 147.5 41.3 21.2 112.3 14 17 A E - 0 0 173 -2,-0.4 -4,-0.0 -3,-0.1 0, 0.0 -0.542 65.9 -3.6 -83.4 153.2 43.7 22.0 115.0 15 18 A G S S- 0 0 40 -2,-0.2 -5,-0.4 16,-0.1 2,-0.3 -0.086 94.3 -40.3 73.9-160.3 45.2 25.5 115.5 16 19 A L E - C 0 32A 15 16,-0.6 16,-3.1 -7,-0.1 2,-0.3 -0.779 48.7-158.7-115.9 154.8 44.8 28.7 113.5 17 20 A W E -AC 8 31A 48 -9,-1.9 -9,-2.5 -2,-0.3 2,-0.4 -0.954 12.6-143.3-140.1 146.9 44.8 29.3 109.8 18 21 A Q E - C 0 30A 35 12,-3.1 12,-2.7 -2,-0.3 2,-0.6 -0.949 13.7-157.9-112.1 129.5 45.4 32.1 107.3 19 22 A I E -AC 5 29A 0 -14,-3.2 -14,-2.4 -2,-0.4 2,-0.3 -0.932 10.1-152.2-113.5 110.4 43.2 32.3 104.2 20 23 A H E -AC 4 28A 45 8,-2.9 7,-2.5 -2,-0.6 8,-1.1 -0.649 10.1-157.2 -85.4 138.5 44.8 34.2 101.3 21 24 A L E + C 0 26A 15 -18,-3.0 2,-0.3 -2,-0.3 5,-0.2 -0.922 16.9 166.8-121.1 139.2 42.5 35.9 98.8 22 25 A Q E > - C 0 25A 124 3,-2.8 3,-1.9 -2,-0.4 349,-0.1 -0.948 67.5 -8.5-152.9 132.1 43.1 37.0 95.2 23 26 A D T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.832 128.3 -52.3 53.4 40.4 40.8 38.2 92.4 24 27 A G T 3 S+ 0 0 30 1,-0.3 347,-2.7 373,-0.1 -1,-0.3 0.534 122.4 96.4 77.5 6.9 37.6 37.3 94.5 25 28 A K E < S-CD 22 370A 113 -3,-1.9 -3,-2.8 345,-0.3 2,-0.6 -0.793 83.6-101.9-122.3 164.9 38.9 33.7 95.1 26 29 A I E -C 21 0A 1 343,-2.9 342,-3.5 340,-0.3 -5,-0.3 -0.801 35.1-178.8 -83.7 118.8 40.8 31.8 97.8 27 30 A S E - 0 0 55 -7,-2.5 2,-0.3 -2,-0.6 -6,-0.2 0.813 61.3 -12.2 -90.2 -33.3 44.3 31.5 96.6 28 31 A A E -C 20 0A 32 -8,-1.1 -8,-2.9 339,-0.1 2,-0.4 -0.977 49.4-143.5-165.9 152.0 45.8 29.5 99.4 29 32 A I E -C 19 0A 47 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.996 25.7-177.3-126.1 124.3 45.2 28.3 102.9 30 33 A D E -C 18 0A 79 -12,-2.7 -12,-3.1 -2,-0.4 2,-0.1 -0.979 24.6-121.6-129.3 132.0 48.2 28.2 105.3 31 34 A A E -C 17 0A 68 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.388 24.3-144.5 -65.9 146.5 48.5 27.0 108.9 32 35 A Q E -C 16 0A 19 -16,-3.1 -16,-0.6 1,-0.1 3,-0.1 -0.850 10.1-153.4-107.1 151.8 49.7 29.5 111.5 33 36 A S S S- 0 0 139 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.450 80.0 -8.4-101.3 -2.9 51.9 28.6 114.5 34 37 A G S S- 0 0 40 -18,-0.1 2,-0.3 -19,-0.0 -27,-0.2 -0.921 100.9 -46.6-166.7-171.1 50.6 31.5 116.6 35 38 A V - 0 0 91 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.581 53.3-140.5 -75.5 132.1 48.4 34.6 116.5 36 39 A M - 0 0 70 -2,-0.3 2,-0.2 1,-0.1 -30,-0.1 -0.637 20.4-109.7 -89.4 147.1 49.1 36.9 113.5 37 40 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.498 32.8-112.1 -73.2 148.5 49.1 40.7 113.7 38 41 A I + 0 0 101 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.340 42.2 166.9 -67.0 154.5 46.3 42.7 112.2 39 42 A T > - 0 0 92 3,-0.2 3,-1.8 -2,-0.1 2,-0.1 -0.946 46.0 -70.0-158.0 167.5 47.1 44.9 109.2 40 43 A E T 3 S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -37,-0.0 -0.384 121.9 24.2 -61.5 141.1 45.2 46.8 106.5 41 44 A N T 3 S+ 0 0 54 1,-0.3 -38,-3.4 -39,-0.1 -37,-1.8 0.481 100.9 107.3 74.2 3.2 43.5 44.4 104.0 42 45 A S E < -b 4 0A 19 -3,-1.8 2,-0.6 -39,-0.2 -1,-0.3 -0.955 60.0-151.4-104.0 131.0 43.5 41.6 106.6 43 46 A L E -b 5 0A 17 -39,-2.9 -37,-2.2 -2,-0.5 2,-0.7 -0.919 17.8-139.5 -97.5 121.1 40.2 40.7 108.2 44 47 A D E -b 6 0A 39 -2,-0.6 -37,-0.2 -39,-0.2 -39,-0.1 -0.737 18.1-170.9 -88.4 112.4 40.9 39.4 111.7 45 48 A A > - 0 0 7 -39,-2.7 3,-1.8 -2,-0.7 -38,-0.2 0.596 30.7-142.3 -72.8 -12.3 38.8 36.3 112.6 46 49 A E T 3 - 0 0 139 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.838 65.5 -53.6 54.4 39.6 40.2 36.8 116.1 47 50 A Q T 3 S+ 0 0 81 -40,-2.1 -1,-0.3 -41,-0.2 -39,-0.2 0.690 108.3 134.8 66.2 21.4 40.4 33.0 116.7 48 51 A G < - 0 0 3 -3,-1.8 -39,-2.9 -41,-0.4 2,-0.4 -0.338 64.5 -84.3 -84.4 175.7 36.8 32.6 115.7 49 52 A L E -eF 9 376B 3 327,-2.0 327,-2.9 329,-0.7 2,-0.5 -0.706 35.1-157.6 -91.5 131.1 35.5 30.0 113.4 50 53 A V E + F 0 375B 1 -41,-3.1 325,-0.2 -2,-0.4 315,-0.1 -0.940 23.6 160.1-109.4 126.9 35.6 30.4 109.6 51 54 A I E - F 0 374B 4 323,-2.1 323,-3.1 -2,-0.5 3,-0.1 -0.924 46.4 -91.7-137.8 158.7 33.2 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 72.0 -68.2 -65.5 165.2 31.7 28.5 104.1 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.108 52.9-101.0 -60.7 153.1 28.4 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 -0.330 39.7-144.5 -61.6 155.2 25.2 29.1 105.8 55 58 A V E -i 115 0C 0 295,-1.8 61,-0.2 58,-0.2 252,-0.1 -0.959 13.6-153.7-126.9 140.6 22.7 27.6 103.4 56 59 A E E +i 116 0C 0 59,-2.9 61,-2.9 -2,-0.4 3,-0.2 -0.897 18.1 176.2-109.4 94.9 18.9 27.6 103.4 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.598 69.0 30.0 -77.7 -9.2 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 -0.758 70.3 133.2-155.3 102.9 14.3 24.8 102.0 59 62 A I E -ij 118 310C 0 58,-1.7 60,-3.0 -2,-0.3 2,-0.6 -0.964 44.3-134.3-142.4 159.6 12.2 28.0 102.4 60 63 A H >> + 0 0 4 250,-1.4 3,-1.0 -2,-0.3 4,-1.0 -0.829 23.9 175.0-114.2 89.6 9.0 29.3 100.9 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.5 43,-0.1 0.674 77.7 61.0 -71.8 -15.3 9.8 32.9 100.0 62 65 A D T 34 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.728 112.4 37.2 -79.1 -20.9 6.3 33.3 98.4 63 66 A T T X4 S+ 0 0 1 -3,-1.0 3,-1.1 37,-0.1 -2,-0.2 0.508 90.4 119.6-101.9 -8.8 4.6 32.6 101.7 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.2 -0.221 75.4 15.9 -64.3 145.7 7.1 34.4 104.0 65 68 A Q T 3 S+ 0 0 33 247,-2.1 -1,-0.2 1,-0.1 249,-0.2 0.720 96.7 103.6 67.9 23.3 5.9 37.3 106.2 66 69 A T X + 0 0 2 -3,-1.1 3,-2.7 247,-0.9 248,-0.3 0.225 38.5 150.4-115.7 10.2 2.1 36.4 105.7 67 70 A A T 3 S+ 0 0 24 246,-2.3 5,-0.1 1,-0.3 247,-0.1 -0.263 76.8 9.5 -49.5 121.7 1.4 34.8 109.1 68 71 A G T 3 S+ 0 0 17 3,-0.5 -1,-0.3 1,-0.2 4,-0.3 0.479 92.0 163.1 86.2 7.3 -2.3 35.4 109.9 69 72 A Q S < S- 0 0 83 -3,-2.7 19,-0.2 1,-0.2 -1,-0.2 -0.914 80.5 -20.5-112.3 124.0 -3.2 36.7 106.4 70 73 A P S S- 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.957 145.0 -0.4 -72.6 -12.9 -6.1 36.8 105.9 71 74 A N S S- 0 0 81 13,-0.2 -3,-0.5 -2,-0.0 2,-0.2 -0.915 71.7-108.1-136.4 161.2 -6.6 34.1 108.6 72 75 A W - 0 0 143 -2,-0.3 2,-0.5 -4,-0.3 3,-0.1 -0.567 24.1-119.1 -90.0 150.6 -4.5 32.1 111.1 73 76 A N + 0 0 18 -2,-0.2 8,-0.0 1,-0.2 -5,-0.0 -0.960 41.5 166.9-114.2 102.0 -3.6 28.4 111.2 74 77 A Q + 0 0 151 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.0 0.201 62.2 53.1 121.6 -93.5 -4.9 27.6 114.0 75 78 A S S S- 0 0 48 -3,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.614 98.1-132.4 -74.0 -14.7 -5.0 23.8 114.2 76 79 A G + 0 0 2 1,-0.2 2,-0.3 2,-0.1 206,-0.1 0.888 58.4 137.4 61.3 41.8 -1.3 24.1 113.5 77 80 A T > - 0 0 14 1,-0.1 4,-2.1 205,-0.0 -1,-0.2 -0.792 67.4-122.5-115.6 159.2 -1.5 21.4 110.8 78 81 A L H > S+ 0 0 10 201,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.936 113.7 51.8 -55.9 -45.6 0.1 21.1 107.3 79 82 A F H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 110.8 43.0 -67.8 -46.0 -3.5 20.7 105.9 80 83 A E H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 111.0 58.3 -65.3 -38.4 -5.0 23.8 107.5 81 84 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.898 104.8 50.0 -55.0 -43.3 -1.8 25.7 106.6 82 85 A I H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.898 111.4 49.5 -62.9 -39.9 -2.4 24.8 102.9 83 86 A E H X S+ 0 0 125 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.922 112.7 46.0 -64.1 -47.6 -6.0 26.1 103.2 84 87 A R H X S+ 0 0 38 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.913 113.2 50.5 -61.6 -43.5 -4.9 29.3 104.8 85 88 A W H X S+ 0 0 2 -4,-2.9 4,-3.5 -5,-0.2 -2,-0.2 0.919 104.6 57.2 -60.6 -43.0 -2.2 29.7 102.1 86 89 A A H X S+ 0 0 34 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.901 106.7 50.2 -56.8 -39.3 -4.7 29.1 99.4 87 90 A E H < S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.897 114.2 43.8 -63.5 -43.2 -6.7 32.1 100.7 88 91 A R H >< S+ 0 0 20 -4,-1.7 3,-1.5 -19,-0.2 -2,-0.2 0.852 107.0 60.5 -69.1 -37.2 -3.5 34.2 100.7 89 92 A K H >< S+ 0 0 18 -4,-3.5 3,-1.6 1,-0.3 -2,-0.2 0.867 97.0 59.8 -58.4 -37.5 -2.5 33.0 97.3 90 93 A A T 3< S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.654 106.9 49.3 -64.2 -14.6 -5.7 34.4 95.8 91 94 A L T < S+ 0 0 104 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.282 83.2 129.9-107.5 4.3 -4.6 37.8 97.0 92 95 A L < - 0 0 20 -3,-1.6 2,-0.3 -4,-0.2 3,-0.1 -0.292 31.8-175.8 -65.0 142.8 -1.0 37.8 95.7 93 96 A T > - 0 0 77 1,-0.1 4,-2.3 35,-0.0 5,-0.2 -0.948 36.9-112.8-127.3 161.1 0.4 40.7 93.7 94 97 A H H > S+ 0 0 59 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.935 118.3 41.7 -49.5 -56.0 3.8 41.0 91.9 95 98 A D H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.842 110.4 58.4 -67.4 -35.1 5.0 43.7 94.3 96 99 A D H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 109.7 44.1 -56.6 -50.9 3.6 42.0 97.4 97 100 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.932 114.2 49.1 -62.8 -47.7 5.6 38.9 96.7 98 101 A K H X S+ 0 0 33 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.911 111.5 49.0 -61.3 -42.6 8.8 40.8 95.9 99 102 A Q H X S+ 0 0 141 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.925 115.2 42.5 -65.0 -44.7 8.6 43.0 99.0 100 103 A R H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.914 114.1 51.1 -70.7 -41.6 8.1 40.1 101.4 101 104 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.7 48.8 -57.4 -46.2 10.7 37.8 99.7 102 105 A W H X S+ 0 0 48 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.852 105.4 57.7 -64.7 -33.7 13.2 40.7 99.9 103 106 A Q H X S+ 0 0 86 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.953 112.9 39.6 -61.4 -48.0 12.4 41.3 103.6 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.892 111.1 58.4 -68.9 -38.2 13.3 37.7 104.5 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.889 103.8 52.7 -59.5 -38.7 16.3 37.7 102.1 106 109 A K H X S+ 0 0 129 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.905 107.9 50.3 -64.5 -40.3 17.8 40.6 104.0 107 110 A W H X S+ 0 0 77 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.905 111.4 50.7 -59.3 -40.7 17.5 38.7 107.3 108 111 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 3,-0.3 0.932 108.8 49.0 -65.1 -45.2 19.2 35.8 105.5 109 112 A I H ><5S+ 0 0 21 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.939 110.9 51.7 -56.1 -46.4 22.1 38.0 104.2 110 113 A A H 3<5S+ 0 0 43 -4,-2.5 281,-0.4 1,-0.3 -1,-0.2 0.781 107.7 54.2 -59.9 -29.0 22.5 39.4 107.8 111 114 A N T 3<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.3 213,-0.3 0.096 121.1-105.4 -96.6 18.6 22.6 35.7 109.0 112 115 A G T < 5S+ 0 0 1 -3,-1.8 -58,-1.9 1,-0.2 2,-0.7 0.716 70.4 147.0 70.2 21.6 25.5 34.8 106.7 113 116 A I E < +i 54 0C 1 -5,-2.5 -1,-0.2 -60,-0.2 -58,-0.2 -0.829 12.5 162.2 -92.8 116.9 23.3 32.8 104.3 114 117 A Q E + 0 0 0 -60,-1.7 31,-2.7 -2,-0.7 2,-0.4 0.430 63.0 55.3-113.8 -1.7 24.6 33.1 100.7 115 118 A H E +ik 55 145C 9 -61,-0.8 -59,-2.9 29,-0.2 2,-0.4 -0.996 62.8 171.2-136.9 123.5 22.7 30.1 99.2 116 119 A V E -ik 56 146C 0 29,-1.8 31,-3.1 -2,-0.4 2,-0.6 -1.000 21.3-159.9-137.1 132.6 19.0 29.7 99.3 117 120 A R E - 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