==== 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 02-JUN-97 1ALN . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.XIANG,C.W.CARTER . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 2 0 0 0 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 3 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 . 0 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 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 1 A M 0 0 58 0, 0.0 26,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 136.7 58.9 43.1 17.9 2 2 A H > - 0 0 28 24,-0.5 3,-2.3 22,-0.3 4,-0.4 -0.553 360.0-122.6 -63.9 128.4 57.1 46.3 16.9 3 3 A P G > S+ 0 0 86 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.730 104.8 72.5 -54.0 -26.8 55.2 47.2 20.1 4 4 A R G 3 S+ 0 0 52 1,-0.3 4,-0.5 2,-0.1 3,-0.3 0.860 97.7 51.1 -58.7 -30.0 51.8 47.3 18.4 5 5 A F G <> S+ 0 0 1 -3,-2.3 4,-2.7 1,-0.2 5,-0.3 0.701 84.5 95.0 -81.9 -14.1 52.0 43.5 18.2 6 6 A Q H <> S+ 0 0 97 -3,-1.3 4,-1.7 -4,-0.4 -1,-0.2 0.828 90.4 33.7 -49.5 -55.4 52.9 43.0 22.0 7 7 A T H > S+ 0 0 104 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.920 118.6 53.1 -69.8 -40.7 49.4 42.3 23.5 8 8 A A H >4 S+ 0 0 8 -4,-0.5 3,-1.1 1,-0.2 4,-0.2 0.965 111.3 46.3 -56.1 -51.4 48.1 40.5 20.4 9 9 A F H >< S+ 0 0 19 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.840 106.5 59.2 -59.7 -40.6 51.1 38.1 20.4 10 10 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.795 102.5 54.0 -61.7 -28.8 50.7 37.5 24.2 11 11 A Q T << S+ 0 0 152 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.458 90.9 106.9 -84.3 -1.0 47.2 36.2 23.6 12 12 A L S < S- 0 0 16 -3,-1.9 2,-0.1 -4,-0.2 44,-0.0 -0.397 80.3 -92.6 -83.9 157.9 48.3 33.7 21.0 13 13 A A >> - 0 0 56 -2,-0.1 4,-2.8 1,-0.1 3,-0.5 -0.378 38.9-115.9 -63.3 142.7 48.6 29.9 21.4 14 14 A D H 3> S+ 0 0 130 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.860 112.3 45.6 -51.3 -51.1 52.0 28.7 22.5 15 15 A N H 3> S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.850 115.6 49.4 -66.7 -28.1 53.1 26.7 19.5 16 16 A L H <> S+ 0 0 5 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.921 108.8 51.6 -74.3 -43.1 51.9 29.6 17.2 17 17 A Q H X S+ 0 0 44 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.939 110.3 51.4 -55.8 -46.7 53.9 32.1 19.3 18 18 A S H < S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 111.7 44.9 -57.6 -47.6 56.9 29.9 18.9 19 19 A A H < S+ 0 0 24 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.853 119.4 41.9 -67.4 -33.2 56.5 29.7 15.1 20 20 A L H >X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.8 0.818 90.6 83.5 -82.7 -34.6 55.9 33.4 14.7 21 21 A E T 3< S+ 0 0 107 -4,-2.7 4,-0.2 1,-0.3 -1,-0.2 0.769 92.0 48.7 -47.1 -40.2 58.4 34.8 17.1 22 22 A P T >4 S+ 0 0 93 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.923 115.7 45.8 -59.1 -43.1 61.3 34.7 14.6 23 23 A I G X4 S+ 0 0 32 -3,-0.8 3,-0.6 -4,-0.4 -2,-0.2 0.953 115.7 43.5 -67.7 -51.0 59.1 36.4 11.9 24 24 A L G 3< S+ 0 0 1 -4,-2.7 -22,-0.3 1,-0.2 -1,-0.2 0.384 89.0 94.5 -77.8 7.9 57.8 39.1 14.2 25 25 A A G < + 0 0 57 -3,-0.7 -1,-0.2 -5,-0.3 -2,-0.1 0.981 69.2 78.2 -63.6 -49.4 61.2 39.8 15.7 26 26 A D S X S- 0 0 91 -3,-0.6 3,-1.4 -4,-0.5 -24,-0.5 -0.290 77.0-141.2 -65.9 129.5 62.0 42.6 13.3 27 27 A K T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -26,-0.2 -25,-0.1 0.796 104.3 50.1 -60.3 -30.7 60.3 45.9 14.1 28 28 A Y T 3 S+ 0 0 84 2,-0.0 -1,-0.3 -27,-0.0 -2,-0.1 -0.263 73.1 160.0-104.0 38.6 59.8 46.4 10.4 29 29 A F < - 0 0 5 -3,-1.4 2,-0.4 -5,-0.1 -5,-0.1 -0.517 48.2-124.8 -55.3 129.5 58.2 43.0 9.8 30 30 A P - 0 0 48 0, 0.0 56,-0.1 0, 0.0 -1,-0.1 0.175 27.7-116.4 -77.7 21.0 56.3 43.8 6.5 31 31 A A S S+ 0 0 0 -2,-0.4 55,-2.5 1,-0.2 2,-0.3 0.891 86.9 94.3 44.2 50.6 52.8 42.8 7.6 32 32 A L E -A 85 0A 33 53,-0.2 2,-0.4 217,-0.1 53,-0.2 -0.967 61.3-149.0-160.3 154.1 52.8 40.0 5.0 33 33 A L E -A 84 0A 0 51,-2.2 51,-2.7 -2,-0.3 2,-0.1 -0.999 15.6-135.2-137.6 134.0 53.7 36.2 5.1 34 34 A T > - 0 0 44 -2,-0.4 4,-2.1 49,-0.2 3,-0.4 -0.486 32.3-102.3 -81.6 167.2 55.1 34.3 2.1 35 35 A G H > S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.904 124.5 54.5 -53.4 -41.2 53.9 30.8 1.1 36 36 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.925 107.9 49.7 -61.8 -42.4 56.9 29.3 2.8 37 37 A Q H > S+ 0 0 51 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.889 108.9 49.7 -67.9 -36.3 56.1 31.1 6.0 38 38 A V H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 109.0 54.8 -73.4 -33.1 52.4 29.9 6.0 39 39 A S H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.950 108.2 48.5 -57.7 -46.5 53.6 26.3 5.4 40 40 A S H X S+ 0 0 71 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.3 50.6 -59.8 -41.5 55.8 26.6 8.5 41 41 A L H X S+ 0 0 1 -4,-2.0 4,-0.9 2,-0.2 6,-0.4 0.889 109.4 51.1 -65.2 -39.5 53.0 27.9 10.6 42 42 A K H >X S+ 0 0 61 -4,-2.4 4,-3.3 1,-0.2 3,-1.1 0.964 111.3 47.9 -63.2 -47.8 50.8 25.1 9.5 43 43 A S H 3< S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 112.0 50.2 -61.9 -34.6 53.4 22.5 10.4 44 44 A A H 3< S+ 0 0 43 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.647 127.5 20.7 -76.0 -17.8 54.0 24.1 13.8 45 45 A T H << S- 0 0 25 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.2 0.638 89.4-125.6-123.6 -24.3 50.4 24.2 14.8 46 46 A G < + 0 0 69 -4,-3.3 -4,-0.1 1,-0.3 -3,-0.1 0.414 62.8 142.4 84.5 -1.6 48.4 21.7 12.7 47 47 A L - 0 0 56 -6,-0.4 -1,-0.3 -5,-0.3 2,-0.2 -0.362 46.5-134.6 -68.4 144.5 46.1 24.6 11.6 48 48 A D > - 0 0 101 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.551 36.5 -89.3 -88.7 175.0 44.8 24.6 8.1 49 49 A E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 124.3 45.9 -53.2 -48.6 44.9 27.8 6.0 50 50 A D H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 115.6 46.0 -65.4 -38.8 41.5 29.1 7.0 51 51 A A H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 112.2 51.3 -71.9 -31.9 42.0 28.5 10.7 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.952 107.8 52.8 -67.0 -46.4 45.5 30.0 10.6 53 53 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.942 111.5 46.6 -55.5 -48.1 44.1 33.1 8.9 54 54 A F H < S+ 0 0 59 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.879 110.7 51.9 -61.1 -39.1 41.5 33.5 11.7 55 55 A A H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 110.9 49.1 -68.4 -28.8 44.2 32.9 14.4 56 56 A L H >X S+ 0 0 0 -4,-2.2 3,-2.2 -3,-0.3 4,-1.3 0.669 81.5 94.5 -82.3 -18.6 46.3 35.6 12.8 57 57 A L H 3X S+ 0 0 5 -4,-1.3 4,-2.8 -3,-0.4 5,-0.2 0.795 77.0 63.7 -48.7 -32.9 43.6 38.3 12.6 58 58 A P H 3> S+ 0 0 52 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.811 102.3 48.9 -59.5 -30.4 44.6 39.8 16.0 59 59 A L H <4 S+ 0 0 0 -3,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.908 112.7 47.7 -76.6 -38.0 48.0 40.7 14.6 60 60 A A H >< S+ 0 0 0 -4,-1.3 3,-1.9 1,-0.2 -3,-0.1 0.941 111.4 50.1 -62.9 -43.9 46.3 42.3 11.5 61 61 A A H >< S+ 0 0 15 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.794 98.1 69.6 -65.9 -26.1 43.9 44.2 13.8 62 62 A A T 3< S+ 0 0 29 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.646 91.7 60.5 -66.1 -17.0 46.9 45.4 15.8 63 63 A C T < S+ 0 0 2 -3,-1.9 -1,-0.3 -4,-0.3 25,-0.2 0.299 80.0 121.5 -89.7 4.8 47.9 47.6 12.8 64 64 A A < - 0 0 12 -3,-1.6 2,-0.7 23,-0.1 26,-0.2 -0.457 51.0-155.1 -74.4 143.7 44.6 49.6 12.9 65 65 A R B +f 90 0B 58 24,-2.5 26,-2.3 -2,-0.2 -1,-0.1 -0.875 28.3 159.5-114.6 94.6 44.7 53.3 13.4 66 66 A T > + 0 0 11 -2,-0.7 4,-2.1 24,-0.2 5,-0.1 -0.341 11.0 151.2-123.5 62.5 41.4 54.1 14.9 67 67 A P T 4 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 25,-0.1 0.759 82.2 39.0 -59.1 -31.0 41.3 57.5 16.8 68 68 A L T 4 S+ 0 0 102 3,-0.1 -2,-0.1 1,-0.0 24,-0.0 0.936 130.7 20.7 -84.0 -52.4 37.6 58.1 16.1 69 69 A S T 4 S- 0 0 55 2,-0.1 3,-0.1 1,-0.1 -3,-0.1 0.792 73.5-149.1 -89.6 -29.8 36.0 54.6 16.6 70 70 A N < + 0 0 125 -4,-2.1 2,-0.8 1,-0.2 -4,-0.1 0.757 58.6 131.4 55.3 28.8 38.5 52.6 18.6 71 71 A F - 0 0 101 -5,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.869 44.3-163.0-113.2 94.9 37.1 49.8 16.6 72 72 A N - 0 0 74 -2,-0.8 2,-0.4 -3,-0.1 -11,-0.1 -0.693 9.0-176.9 -84.9 125.9 40.1 47.9 15.3 73 73 A V - 0 0 13 -2,-0.5 16,-1.3 -12,-0.1 2,-0.3 -0.989 6.4-162.6-125.3 132.2 39.4 45.5 12.4 74 74 A G E -B 88 0A 0 -2,-0.4 51,-1.8 14,-0.2 2,-0.3 -0.866 6.7-176.4-112.8 148.7 42.0 43.3 10.7 75 75 A A E -BC 87 124A 0 12,-2.5 12,-1.6 -2,-0.3 2,-0.4 -0.950 12.0-155.4-137.2 154.1 41.8 41.6 7.3 76 76 A I E -BC 86 123A 0 47,-2.2 47,-2.2 -2,-0.3 2,-0.5 -0.981 7.9-157.2-135.3 117.8 44.2 39.1 5.5 77 77 A A E -BC 85 122A 0 8,-2.6 8,-2.9 -2,-0.4 2,-0.8 -0.854 10.5-147.5 -96.5 127.2 44.1 39.0 1.7 78 78 A R E -BC 84 121A 7 43,-2.7 42,-3.0 -2,-0.5 43,-1.1 -0.865 15.2-144.4-104.0 112.3 45.4 35.7 0.4 79 79 A G E > - C 0 119A 6 4,-3.0 3,-1.5 -2,-0.8 40,-0.2 -0.301 21.8-119.3 -71.5 160.2 47.1 36.1 -2.9 80 80 A V T 3 S+ 0 0 96 38,-2.4 39,-0.1 1,-0.3 -1,-0.1 0.683 115.5 63.6 -73.2 -14.0 47.0 33.6 -5.7 81 81 A S T 3 S- 0 0 71 37,-0.3 -1,-0.3 2,-0.2 -46,-0.2 0.631 120.6-107.7 -79.0 -22.3 50.8 33.5 -5.2 82 82 A G S < S+ 0 0 26 -3,-1.5 2,-0.2 1,-0.4 -44,-0.2 0.255 79.2 129.6 107.2 -9.5 50.4 32.1 -1.7 83 83 A T - 0 0 24 -49,-0.1 -4,-3.0 -5,-0.1 2,-0.5 -0.604 49.4-145.5 -80.8 142.5 51.5 35.4 0.0 84 84 A W E -AB 33 78A 3 -51,-2.7 -51,-2.2 -6,-0.2 2,-0.5 -0.933 10.8-158.9-107.8 125.7 49.2 36.6 2.7 85 85 A Y E -AB 32 77A 12 -8,-2.9 -8,-2.6 -2,-0.5 -53,-0.2 -0.923 8.7-141.9-108.1 126.2 48.8 40.4 3.0 86 86 A F E - B 0 76A 1 -55,-2.5 2,-0.3 -2,-0.5 -10,-0.2 -0.460 20.8-178.2 -78.5 162.7 47.6 42.0 6.3 87 87 A G E - B 0 75A 0 -12,-1.6 -12,-2.5 -2,-0.1 2,-0.3 -0.969 5.9-179.5-158.2 147.7 45.3 45.0 6.3 88 88 A A E - B 0 74A 0 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.973 33.0 -95.6-150.1 157.6 43.8 47.1 9.0 89 89 A N - 0 0 13 -16,-1.3 -24,-2.5 -2,-0.3 2,-0.4 -0.528 32.5-160.3 -81.9 148.8 41.4 50.1 9.0 90 90 A M B -fG 65 101B 0 11,-1.7 11,-2.2 -26,-0.2 2,-0.4 -0.987 6.9-171.1-130.2 134.0 42.7 53.7 9.3 91 91 A E - 0 0 23 -26,-2.3 2,-0.7 -2,-0.4 6,-0.1 -0.984 14.4-145.5-124.1 138.3 40.9 56.9 10.4 92 92 A F > - 0 0 8 -2,-0.4 3,-1.9 4,-0.3 7,-0.1 -0.850 6.1-143.1-114.9 107.4 42.3 60.3 10.1 93 93 A I T 3 S+ 0 0 98 -2,-0.7 3,-0.1 1,-0.3 -25,-0.0 -0.344 91.4 27.5 -58.5 136.3 41.7 63.1 12.7 94 94 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 189,-0.1 188,-0.1 0.287 111.3 81.2 89.8 -10.0 41.4 66.5 11.0 95 95 A A S < S- 0 0 33 -3,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.041 84.5 -92.0-101.9-146.6 40.2 65.0 7.7 96 96 A T > - 0 0 81 -3,-0.1 3,-1.7 -2,-0.1 -4,-0.3 -0.787 32.6-102.6-123.0 172.4 36.6 63.8 6.7 97 97 A M G > S+ 0 0 149 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.848 117.6 67.8 -66.0 -31.3 34.8 60.4 6.8 98 98 A Q G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.648 91.8 60.1 -65.0 -12.2 35.5 60.0 3.1 99 99 A Q G < S+ 0 0 22 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.541 79.9 115.4 -91.9 -5.6 39.3 59.6 3.8 100 100 A T < - 0 0 37 -3,-1.6 2,-0.4 -4,-0.3 -9,-0.2 -0.210 54.1-150.5 -58.0 144.0 38.8 56.5 6.0 101 101 A V B -G 90 0B 0 -11,-2.2 -11,-1.7 136,-0.1 2,-0.3 -0.970 10.9-139.2-119.0 140.3 40.3 53.2 4.7 102 102 A H > - 0 0 57 -2,-0.4 4,-2.5 -13,-0.2 3,-0.4 -0.703 24.4-110.7 -91.1 156.7 38.6 50.0 5.7 103 103 A A H > S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.3 -28,-0.2 0.907 119.5 51.0 -54.5 -38.1 40.5 46.8 6.7 104 104 A E H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.889 109.9 48.3 -67.3 -40.0 39.5 45.1 3.5 105 105 A Q H > S+ 0 0 3 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.925 111.7 52.2 -66.5 -39.0 40.6 48.0 1.3 106 106 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.941 112.2 44.1 -60.0 -50.8 43.9 48.0 3.2 107 107 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.909 116.2 46.1 -67.2 -40.7 44.5 44.3 2.6 108 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.900 114.5 47.3 -70.5 -40.2 43.5 44.4 -1.1 109 109 A S H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.914 108.8 55.3 -67.1 -39.5 45.6 47.5 -1.8 110 110 A H H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 6,-0.2 0.966 113.3 42.4 -53.4 -53.1 48.6 45.9 0.1 111 111 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.5 0.960 117.1 45.2 -59.5 -53.6 48.3 42.9 -2.3 112 112 A W H ><5S+ 0 0 9 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.943 115.4 47.0 -57.8 -51.1 47.7 45.0 -5.5 113 113 A L H 3<5S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 106.3 58.6 -63.0 -32.9 50.5 47.4 -4.7 114 114 A S T 3<5S- 0 0 57 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.590 126.2-100.3 -73.1 -4.8 52.9 44.6 -3.9 115 115 A G T < 5 + 0 0 47 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.2 0.515 65.9 159.1 99.8 8.1 52.4 43.2 -7.4 116 116 A E < - 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