==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-13 3ZPG . COMPND 2 MOLECULE: RIBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR A.DAWSON,P.TRUMPER,G.CHRYSOSTOMOU,W.N.HUNTER . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.8 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 1 3 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 2 A S > 0 0 113 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 134.4 24.8 -9.1 -6.1 2 3 A E H > + 0 0 143 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.795 360.0 53.3 -70.4 -29.9 25.3 -11.1 -9.3 3 4 A L H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.0 49.5 -67.7 -44.2 22.3 -13.3 -8.3 4 5 A K H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.781 110.8 49.5 -70.3 -28.8 20.1 -10.2 -7.9 5 6 A Q H X S+ 0 0 72 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.904 110.8 50.1 -71.5 -45.3 21.1 -8.8 -11.2 6 7 A D H X S+ 0 0 7 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.836 113.1 47.6 -56.5 -36.6 20.4 -12.2 -12.9 7 8 A Q H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.869 107.1 56.3 -74.0 -39.7 17.0 -12.0 -11.1 8 9 A Y H X S+ 0 0 129 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.911 113.3 39.8 -56.5 -47.2 16.3 -8.5 -12.2 9 10 A W H X S+ 0 0 25 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.884 112.3 54.1 -75.5 -41.7 16.8 -9.3 -15.9 10 11 A M H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.874 105.6 55.9 -58.6 -37.5 15.0 -12.7 -15.7 11 12 A Q H X S+ 0 0 93 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.851 105.1 51.4 -63.4 -34.4 12.0 -10.8 -14.2 12 13 A Q H X S+ 0 0 71 -4,-1.0 4,-1.8 -3,-0.2 -1,-0.2 0.889 111.6 48.2 -65.1 -38.5 12.0 -8.5 -17.3 13 14 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.875 108.0 53.0 -69.5 -40.8 12.0 -11.7 -19.4 14 15 A I H X S+ 0 0 9 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.893 108.6 52.6 -58.5 -40.2 9.1 -13.2 -17.4 15 16 A E H >< S+ 0 0 109 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.912 107.4 50.3 -62.9 -43.2 7.2 -10.0 -18.0 16 17 A L H >< S+ 0 0 24 -4,-1.8 3,-2.3 1,-0.2 4,-0.3 0.906 101.5 63.3 -61.9 -40.8 7.7 -10.2 -21.8 17 18 A A H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.3 13,-0.2 0.749 93.7 63.8 -52.2 -30.2 6.5 -13.8 -21.8 18 19 A K G X< S+ 0 0 97 -3,-0.9 3,-0.8 -4,-0.7 -1,-0.3 0.592 81.8 77.2 -75.7 -13.3 3.1 -12.5 -20.6 19 20 A R G < S+ 0 0 170 -3,-2.3 -1,-0.2 -4,-0.3 3,-0.2 0.759 101.0 41.9 -69.0 -22.5 2.5 -10.6 -23.8 20 21 A G G X> S+ 0 0 0 -3,-1.0 3,-2.2 -4,-0.3 4,-1.7 0.404 77.6 118.6-100.7 3.3 1.6 -13.9 -25.5 21 22 A L T <4 S+ 0 0 39 -3,-0.8 4,-0.3 1,-0.3 -1,-0.1 0.726 82.6 35.6 -42.1 -42.2 -0.5 -15.5 -22.7 22 23 A Y T 34 S+ 0 0 35 -4,-0.2 198,-2.4 -3,-0.2 -1,-0.3 0.548 123.2 41.0 -94.2 -8.9 -3.7 -15.7 -24.7 23 24 A S T <4 S+ 0 0 18 -3,-2.2 26,-0.6 196,-0.2 -2,-0.2 0.529 93.7 76.1-120.3 -7.3 -2.2 -16.5 -28.2 24 25 A T >< + 0 0 3 -4,-1.7 3,-1.8 24,-0.2 25,-0.2 0.819 65.4 154.5 -78.5 -34.3 0.6 -19.1 -27.6 25 26 A K T 3 + 0 0 38 1,-0.4 24,-0.4 -4,-0.3 257,-0.1 -0.042 66.9 18.8 -45.7 134.8 -1.3 -22.3 -26.9 26 27 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.999 121.3 70.9 -85.5 -7.0 -0.3 -25.1 -27.4 27 28 A N S < S- 0 0 46 -3,-1.8 22,-0.1 -4,-0.1 2,-0.1 -0.358 92.0-102.8 -65.8 150.2 3.2 -23.6 -27.4 28 29 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.378 30.3-107.3 -70.4 149.5 4.6 -22.3 -24.0 29 30 A N + 0 0 13 108,-0.4 2,-0.4 -2,-0.1 -12,-0.1 -0.690 49.1 176.3 -71.5 129.4 4.8 -18.7 -23.0 30 31 A V - 0 0 13 -2,-0.4 16,-1.6 16,-0.3 2,-0.3 -0.989 16.8-169.3-146.2 130.0 8.4 -17.7 -23.2 31 32 A G E -A 45 0A 0 -2,-0.4 43,-2.0 14,-0.2 44,-0.3 -0.832 4.7-172.6-114.2 158.9 10.3 -14.4 -22.8 32 33 A C E -AB 44 73A 0 12,-2.2 12,-1.9 -2,-0.3 2,-0.4 -0.958 5.9-175.4-151.2 129.9 13.9 -13.6 -23.5 33 34 A V E -AB 43 72A 0 39,-2.0 39,-3.4 -2,-0.3 2,-0.5 -0.970 13.1-150.9-119.4 145.8 16.1 -10.5 -22.9 34 35 A I E -AB 42 71A 0 8,-2.6 7,-2.8 -2,-0.4 8,-1.2 -0.968 18.8-175.7-116.8 130.3 19.7 -10.0 -24.1 35 36 A V E +AB 40 70A 6 35,-2.9 35,-3.2 -2,-0.5 2,-0.3 -0.980 10.8 174.6-133.3 136.9 22.0 -7.9 -21.9 36 37 A K E > S-A 39 0A 55 3,-2.2 3,-2.1 -2,-0.4 33,-0.1 -0.991 75.5 -1.9-146.4 135.6 25.6 -6.7 -22.4 37 38 A D T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.847 130.6 -60.3 47.8 38.6 27.6 -4.3 -20.2 38 39 A D T 3 S+ 0 0 96 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.628 112.9 124.4 66.7 17.3 24.4 -4.1 -18.0 39 40 A Q E < -A 36 0A 128 -3,-2.1 -3,-2.2 2,-0.0 2,-0.4 -0.914 63.9-126.5-113.1 132.6 22.5 -2.7 -21.0 40 41 A L E +A 35 0A 69 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.630 36.8 162.2 -74.7 124.1 19.3 -4.2 -22.5 41 42 A I E + 0 0 44 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.500 59.6 22.0-121.8 -10.2 19.8 -4.7 -26.2 42 43 A G E -A 34 0A 1 -8,-1.2 -8,-2.6 19,-0.1 2,-0.3 -0.928 53.1-174.1-163.3 133.9 17.1 -7.2 -27.2 43 44 A E E +A 33 0A 83 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.950 14.3 168.8-124.7 150.9 13.7 -8.3 -26.0 44 45 A G E -A 32 0A 3 -12,-1.9 -12,-2.2 -2,-0.3 2,-0.3 -0.992 13.4-178.6-159.0 151.5 11.5 -11.1 -27.4 45 46 A F E -A 31 0A 43 -2,-0.3 -14,-0.2 -14,-0.2 -28,-0.1 -0.975 36.2-109.5-146.1 156.1 8.5 -13.2 -26.6 46 47 A H - 0 0 5 -16,-1.6 -16,-0.3 -2,-0.3 -23,-0.1 -0.756 32.4-175.9 -87.0 119.2 6.7 -16.0 -28.5 47 48 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.856 55.4 -18.8 -87.9 -29.2 3.5 -14.7 -29.8 48 49 A K S > S- 0 0 100 4,-0.3 3,-2.0 -24,-0.1 -24,-0.2 -0.974 78.9 -69.0-174.9 148.4 1.8 -17.7 -31.4 49 50 A A T 3 S+ 0 0 21 -26,-0.6 -24,-0.1 -24,-0.4 -25,-0.0 -0.230 118.0 22.7 -49.5 132.7 2.3 -21.2 -32.8 50 51 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.2 34,-0.0 3,-0.1 0.064 102.4 105.0 94.9 -24.1 4.2 -21.3 -36.0 51 52 A Q S < S- 0 0 94 -3,-2.0 -1,-0.4 1,-0.2 32,-0.1 -0.381 84.3 -72.7 -85.0 166.1 5.9 -17.9 -35.3 52 53 A P - 0 0 20 0, 0.0 -4,-0.3 0, 0.0 -1,-0.2 -0.169 51.6-107.0 -60.8 152.4 9.5 -17.4 -34.2 53 54 A H >> - 0 0 48 -7,-0.1 4,-1.5 -3,-0.1 3,-0.7 -0.286 34.8-100.7 -70.2 163.2 10.6 -18.4 -30.6 54 55 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -22,-0.2 0.883 120.5 55.6 -53.7 -47.2 11.4 -15.7 -28.0 55 56 A E H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 103.5 55.9 -56.3 -37.4 15.2 -16.0 -28.5 56 57 A V H <> S+ 0 0 39 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.929 109.3 44.8 -64.8 -48.3 14.9 -15.3 -32.2 57 58 A F H X S+ 0 0 61 -4,-1.5 4,-1.8 1,-0.2 -14,-0.2 0.938 114.0 50.1 -59.8 -47.3 13.1 -12.0 -31.7 58 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.853 112.3 47.1 -59.6 -39.1 15.5 -11.0 -29.0 59 60 A L H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.870 105.4 57.9 -73.3 -39.2 18.6 -11.8 -31.1 60 61 A R H < S+ 0 0 165 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.893 112.7 42.7 -54.8 -41.8 17.2 -10.0 -34.2 61 62 A Q H < S+ 0 0 118 -4,-1.8 -2,-0.2 -18,-0.2 -1,-0.2 0.930 113.8 49.7 -67.9 -49.9 17.0 -6.9 -32.0 62 63 A A H >< S+ 0 0 7 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.806 86.9 173.7 -59.0 -32.9 20.5 -7.5 -30.4 63 64 A G G >< - 0 0 41 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 -0.246 64.9 -15.5 56.5-140.1 22.0 -8.0 -33.8 64 65 A E G > S+ 0 0 178 1,-0.3 3,-1.3 2,-0.1 -1,-0.2 0.656 127.3 75.1 -70.5 -14.4 25.8 -8.3 -33.9 65 66 A Q G < S+ 0 0 108 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.579 71.7 85.6 -76.0 -8.7 26.1 -7.0 -30.3 66 67 A A G X + 0 0 1 -3,-1.5 3,-1.6 -7,-0.2 31,-0.3 0.701 64.3 105.8 -61.0 -22.8 24.7 -10.4 -29.1 67 68 A Q T < S+ 0 0 112 -3,-1.3 29,-0.3 1,-0.3 28,-0.2 -0.459 94.8 3.9 -61.7 127.1 28.4 -11.6 -29.2 68 69 A G T 3 S+ 0 0 37 27,-2.4 -1,-0.3 1,-0.2 28,-0.2 0.378 107.9 123.7 76.6 -3.3 29.7 -11.8 -25.6 69 70 A A < - 0 0 1 -3,-1.6 28,-2.0 26,-0.1 29,-1.5 -0.170 62.6-113.6 -81.2 175.7 26.3 -10.9 -24.2 70 71 A T E -Bc 35 98A 25 -35,-3.2 -35,-2.9 27,-0.2 2,-0.5 -0.961 22.3-155.0-112.8 132.2 24.1 -12.7 -21.7 71 72 A A E -Bc 34 99A 1 27,-2.5 29,-3.3 -2,-0.4 2,-0.5 -0.916 1.8-159.3-107.0 126.8 20.7 -14.1 -22.7 72 73 A Y E +Bc 33 100A 6 -39,-3.4 -39,-2.0 -2,-0.5 2,-0.4 -0.934 15.9 177.1-104.7 124.0 17.9 -14.6 -20.1 73 74 A V E -Bc 32 101A 1 27,-3.0 29,-1.9 -2,-0.5 -41,-0.2 -0.997 31.1-144.7-133.6 130.7 15.3 -17.1 -21.2 74 75 A T E S+ 0 0 2 -43,-2.0 29,-1.3 -2,-0.4 2,-0.3 0.542 88.3 31.1 -68.5 -10.1 12.3 -18.2 -19.1 75 76 A L E S- c 0 103A 12 -44,-0.3 30,-0.1 27,-0.2 3,-0.1 -0.989 100.5 -81.9-149.8 151.9 12.5 -21.8 -20.6 76 77 A E - 0 0 9 27,-1.5 3,-0.1 -2,-0.3 12,-0.1 -0.345 53.1-108.8 -60.5 119.5 15.2 -24.1 -21.9 77 78 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 -0.202 43.2-104.8 -49.6 134.8 16.1 -23.2 -25.5 78 79 A C - 0 0 30 7,-0.1 10,-2.3 1,-0.1 11,-0.3 -0.209 22.5-160.3 -67.7 153.6 14.9 -26.0 -27.9 79 80 A A + 0 0 18 8,-0.2 2,-0.3 7,-0.1 -1,-0.1 0.124 62.6 76.3-119.5 16.9 17.2 -28.5 -29.5 80 81 A H S S- 0 0 114 5,-0.1 2,-0.4 4,-0.0 7,-0.2 -0.963 70.3-120.9-139.5 151.4 14.9 -29.7 -32.3 81 82 A Y + 0 0 176 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.721 49.9 127.2 -86.4 131.1 13.6 -28.8 -35.8 82 83 A G S S- 0 0 68 2,-1.9 -1,-0.1 -2,-0.4 0, 0.0 -0.092 86.8 -20.2-140.2-111.0 9.9 -28.5 -36.3 83 84 A R S S+ 0 0 191 -2,-0.1 -2,-0.1 -32,-0.1 -34,-0.0 0.761 138.4 27.9 -77.4 -25.5 8.1 -25.5 -37.8 84 85 A T S S- 0 0 35 -4,-0.2 -2,-1.9 1,-0.1 3,-0.1 -0.872 94.6 -92.8-128.3 161.2 11.2 -23.4 -36.9 85 86 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.220 58.7 -79.4 -64.6 165.6 15.0 -24.0 -36.5 86 87 A P > - 0 0 9 0, 0.0 4,-1.0 0, 0.0 3,-0.3 -0.507 27.4-145.9 -82.0 137.7 16.4 -24.8 -33.0 87 88 A C H > S+ 0 0 1 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.786 95.8 62.8 -69.7 -33.7 17.1 -22.0 -30.5 88 89 A A H > S+ 0 0 0 -10,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 105.6 48.2 -55.8 -43.7 20.1 -23.6 -28.9 89 90 A E H > S+ 0 0 90 -11,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.786 107.1 55.5 -68.0 -32.2 21.9 -23.3 -32.3 90 91 A A H X S+ 0 0 30 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.915 108.0 48.3 -68.0 -42.9 20.8 -19.7 -32.8 91 92 A L H <>S+ 0 0 1 -4,-2.0 5,-1.7 2,-0.2 4,-0.4 0.893 112.7 48.2 -62.0 -44.7 22.4 -18.7 -29.5 92 93 A V H ><5S+ 0 0 42 -4,-1.7 3,-1.6 2,-0.2 -2,-0.2 0.941 111.0 51.2 -58.6 -50.3 25.7 -20.5 -30.3 93 94 A K H 3<5S+ 0 0 173 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.880 108.0 51.8 -55.0 -42.9 25.7 -18.9 -33.8 94 95 A A T 3<5S- 0 0 28 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.561 109.2-131.7 -71.5 -9.9 25.3 -15.4 -32.1 95 96 A Q T < 5 - 0 0 116 -3,-1.6 -27,-2.4 -4,-0.4 -3,-0.2 0.905 34.5-176.6 57.9 47.8 28.3 -16.4 -29.9 96 97 A V < - 0 0 7 -5,-1.7 -26,-0.2 -29,-0.3 -1,-0.1 -0.407 25.3-142.7 -68.4 151.3 26.7 -15.4 -26.6 97 98 A K S S+ 0 0 129 -28,-2.0 27,-2.4 1,-0.3 2,-0.3 0.837 79.1 10.8 -81.5 -35.8 28.9 -15.7 -23.5 98 99 A K E -cd 70 124A 16 -29,-1.5 -27,-2.5 25,-0.2 2,-0.4 -0.999 55.2-158.8-152.1 138.8 26.2 -16.9 -21.2 99 100 A V E -cd 71 125A 0 25,-3.0 27,-1.1 -2,-0.3 2,-0.5 -0.989 12.3-159.0-122.6 121.3 22.6 -18.2 -21.2 100 101 A V E -cd 72 126A 0 -29,-3.3 -27,-3.0 -2,-0.4 2,-0.4 -0.886 11.6-165.5-104.1 125.7 20.5 -18.0 -18.1 101 102 A V E -cd 73 127A 0 25,-2.2 27,-2.5 -2,-0.5 28,-0.9 -0.934 18.0-170.7-119.2 130.7 17.5 -20.3 -17.9 102 103 A A E S+ 0 0 0 -29,-1.9 26,-0.3 -2,-0.4 -27,-0.2 0.975 77.2 23.7 -76.6 -69.0 14.5 -20.3 -15.5 103 104 A C E S-c 75 0A 3 -29,-1.3 -27,-1.5 -30,-0.1 -1,-0.2 -0.839 74.9-135.2-104.3 134.0 12.7 -23.6 -16.2 104 105 A P - 0 0 52 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 -0.327 50.1 -73.7 -72.7 170.4 14.3 -26.7 -17.7 105 106 A D - 0 0 30 1,-0.1 6,-0.1 5,-0.1 5,-0.1 -0.473 38.2-150.9 -67.6 130.4 12.4 -28.4 -20.5 106 107 A P S S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.758 73.5 92.1 -74.0 -24.0 9.4 -30.3 -19.0 107 108 A N >> - 0 0 49 1,-0.2 4,-1.6 2,-0.1 3,-1.5 -0.613 66.9-155.5 -73.1 113.8 9.4 -33.0 -21.7 108 109 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.797 88.3 64.4 -64.6 -25.0 11.6 -35.8 -20.3 109 110 A L T 34 S+ 0 0 134 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 0.637 119.6 21.7 -71.9 -14.5 12.4 -37.1 -23.8 110 111 A V T X4 S+ 0 0 22 -3,-1.5 3,-1.8 -5,-0.1 4,-0.4 0.446 88.5 131.8-128.4 -6.2 14.2 -33.8 -24.7 111 112 A A T 3< S+ 0 0 47 -4,-1.6 0, 0.0 1,-0.2 0, 0.0 -0.239 77.2 11.5 -59.6 132.1 15.1 -32.3 -21.3 112 113 A G T 3> S+ 0 0 36 1,-0.0 4,-2.4 4,-0.0 -1,-0.2 0.237 96.7 103.3 89.5 -12.1 18.8 -31.1 -21.0 113 114 A K H <> S+ 0 0 99 -3,-1.8 4,-1.7 2,-0.2 -2,-0.1 0.831 81.0 48.4 -74.9 -34.4 19.6 -31.4 -24.7 114 115 A G H > S+ 0 0 1 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.937 113.6 47.2 -67.2 -48.9 19.4 -27.7 -25.4 115 116 A V H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.909 108.3 57.0 -55.7 -45.3 21.6 -26.9 -22.4 116 117 A Q H X S+ 0 0 99 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.909 103.2 52.7 -54.9 -45.7 24.0 -29.7 -23.6 117 118 A I H X S+ 0 0 41 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.844 111.3 47.8 -59.8 -33.8 24.4 -27.9 -26.9 118 119 A L H <>S+ 0 0 0 -4,-1.4 5,-2.0 -3,-0.4 4,-0.3 0.912 108.9 52.7 -72.3 -44.0 25.3 -24.7 -25.0 119 120 A K H ><5S+ 0 0 107 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.917 106.9 54.4 -53.1 -48.4 27.8 -26.5 -22.7 120 121 A N H 3<5S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 103.9 53.2 -58.5 -37.7 29.5 -27.9 -25.8 121 122 A A T 3<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.500 120.4-107.9 -77.2 -2.8 30.1 -24.5 -27.4 122 123 A G T < 5 + 0 0 66 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.521 68.7 153.0 84.5 8.4 31.7 -23.3 -24.2 123 124 A I < - 0 0 12 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.559 49.4-117.2 -75.2 128.7 28.7 -21.2 -23.4 124 125 A E E -d 98 0A 115 -27,-2.4 -25,-3.0 -2,-0.3 2,-0.4 -0.488 36.2-173.8 -60.3 126.3 28.1 -20.5 -19.7 125 126 A V E +d 99 0A 20 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.978 12.4 172.5-129.1 120.9 24.8 -22.0 -18.5 126 127 A E E -d 100 0A 61 -27,-1.1 -25,-2.2 -2,-0.4 2,-0.3 -0.992 15.7-160.2-122.8 142.4 23.2 -21.6 -15.1 127 128 A I E +d 101 0A 86 -2,-0.4 -25,-0.2 -27,-0.2 -24,-0.1 -0.899 55.7 45.7-127.7 141.2 19.7 -22.8 -14.5 128 129 A G > + 0 0 31 -27,-2.5 3,-1.5 -2,-0.3 2,-0.3 0.388 57.6 151.2 115.1 -0.3 16.9 -22.2 -11.9 129 130 A I T 3 S- 0 0 12 -28,-0.9 -1,-0.3 1,-0.3 5,-0.1 -0.495 84.3 -14.6 -71.3 124.9 16.8 -18.3 -11.7 130 131 A C T 3> S+ 0 0 18 -2,-0.3 4,-2.0 1,-0.1 -1,-0.3 0.861 88.9 154.5 43.8 44.3 13.3 -17.2 -10.7 131 132 A E H <> + 0 0 80 -3,-1.5 4,-2.9 2,-0.2 5,-0.2 0.917 65.7 53.6 -62.6 -46.2 12.1 -20.7 -11.6 132 133 A D H > S+ 0 0 140 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.906 112.6 43.5 -52.9 -48.8 9.0 -20.5 -9.3 133 134 A L H 4 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.859 114.9 49.4 -69.7 -36.7 7.8 -17.3 -10.9 134 135 A A H >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.2 4,-0.3 0.881 103.0 60.5 -71.0 -38.5 8.5 -18.5 -14.5 135 136 A A H >< S+ 0 0 31 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.800 93.4 65.8 -56.0 -32.8 6.7 -21.8 -13.8 136 137 A K G >< S+ 0 0 142 -4,-1.0 3,-0.5 1,-0.3 -1,-0.3 0.685 91.5 65.2 -63.4 -20.3 3.5 -19.7 -13.2 137 138 A L G < S+ 0 0 11 -3,-1.9 -108,-0.4 -4,-0.3 -1,-0.3 0.657 115.3 25.6 -69.3 -21.6 3.7 -18.8 -16.9 138 139 A N G <> + 0 0 11 -3,-1.7 4,-2.5 -4,-0.3 5,-0.4 -0.256 65.6 148.8-146.4 47.7 3.1 -22.3 -18.0 139 140 A Q H <> S+ 0 0 67 -3,-0.5 4,-1.6 1,-0.2 5,-0.2 0.929 83.2 39.1 -54.0 -49.3 1.2 -24.3 -15.4 140 141 A G H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.946 116.7 47.2 -64.6 -54.5 -0.6 -26.5 -18.0 141 142 A F H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 113.5 48.5 -56.3 -46.5 2.3 -27.0 -20.5 142 143 A L H X S+ 0 0 31 -4,-2.5 4,-1.3 -7,-0.2 -1,-0.2 0.901 116.2 43.4 -63.8 -41.7 4.8 -27.9 -17.7 143 144 A K H X S+ 0 0 47 -4,-1.6 4,-2.4 -5,-0.4 6,-0.5 0.942 115.2 47.5 -66.8 -47.9 2.4 -30.4 -16.1 144 145 A A H X S+ 0 0 3 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.855 113.4 47.5 -64.8 -37.7 1.3 -32.0 -19.4 145 146 A M H < S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.804 118.1 41.1 -75.5 -31.1 4.8 -32.4 -20.8 146 147 A S H < S+ 0 0 68 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.741 135.0 14.8 -87.8 -24.0 6.1 -33.9 -17.5 147 148 A T H < S- 0 0 88 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.522 92.3-118.0-127.9 -10.3 3.1 -36.2 -16.7 148 149 A G S < S+ 0 0 34 -4,-2.0 130,-0.3 -5,-0.4 129,-0.2 0.561 82.5 103.8 78.0 7.4 0.8 -36.5 -19.8 149 150 A M - 0 0 25 -6,-0.5 -2,-0.2 128,-0.1 -1,-0.2 -0.973 69.4-123.2-122.9 139.0 -2.1 -34.9 -18.0 150 151 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 134,-0.2 -0.303 30.3-102.1 -73.7 161.7 -3.3 -31.3 -18.5 151 152 A Y E -e 284 0B 25 132,-2.7 134,-2.8 152,-0.0 2,-0.5 -0.770 44.7-152.1 -77.9 123.6 -3.7 -28.7 -15.7 152 153 A V E -e 285 0B 1 -2,-0.5 152,-1.9 132,-0.2 153,-1.8 -0.914 15.2-169.6-114.5 121.8 -7.4 -28.7 -14.9 153 154 A R E -ef 286 305B 5 132,-3.3 134,-3.5 -2,-0.5 2,-0.7 -0.900 9.5-154.3-107.9 127.6 -9.3 -25.7 -13.5 154 155 A L E -ef 287 306B 0 151,-2.8 153,-3.2 -2,-0.5 2,-0.5 -0.898 7.5-159.1-104.0 118.4 -12.8 -26.2 -12.3 155 156 A K E +ef 288 307B 44 132,-2.5 134,-0.6 -2,-0.7 2,-0.3 -0.833 14.7 173.8 -94.1 133.0 -15.0 -23.1 -12.4 156 157 A V E - f 0 308B 15 151,-2.2 153,-3.2 -2,-0.5 2,-0.4 -0.990 15.2-162.9-135.0 147.7 -18.2 -23.0 -10.2 157 158 A A E + f 0 309B 25 -2,-0.3 2,-0.3 151,-0.2 153,-0.2 -0.997 25.7 156.3-129.5 125.5 -20.6 -20.2 -9.5 158 159 A S E - f 0 310B 2 151,-2.8 153,-2.8 -2,-0.4 6,-0.2 -0.947 41.1-104.5-145.5 167.4 -22.9 -20.4 -6.5 159 160 A S E > - f 0 311B 1 4,-2.3 3,-2.0 -2,-0.3 155,-0.2 -0.339 51.8 -94.6 -78.0 173.0 -25.0 -18.5 -4.0 160 161 A L T 3 S+ 0 0 124 153,-2.3 154,-0.2 151,-0.8 -1,-0.1 0.843 128.3 56.0 -61.6 -33.7 -23.8 -18.1 -0.5 161 162 A D T 3 S- 0 0 52 152,-0.8 -1,-0.3 2,-0.1 153,-0.1 0.155 124.0-104.4 -89.5 21.7 -25.7 -21.2 0.5 162 163 A G S < S+ 0 0 19 -3,-2.0 160,-2.0 1,-0.2 2,-0.3 0.707 73.8 138.6 75.4 25.0 -23.9 -23.2 -2.1 163 164 A R B -M 321 0C 59 158,-0.2 -4,-2.3 159,-0.1 -1,-0.2 -0.756 37.3-169.2-107.9 150.3 -26.7 -23.4 -4.7 164 165 A T - 0 0 42 156,-2.6 2,-0.3 1,-0.3 157,-0.1 0.476 68.4 -12.1-113.3 -9.6 -26.5 -23.1 -8.6 165 166 A A S S- 0 0 7 155,-0.4 155,-3.4 8,-0.0 -1,-0.3 -0.953 75.1 -82.7-178.4 160.9 -30.1 -22.9 -9.6 166 167 A M - 0 0 67 4,-1.7 153,-0.2 2,-0.4 150,-0.1 -0.327 63.5 -85.3 -70.9 166.1 -33.7 -23.3 -8.5 167 168 A A S S+ 0 0 88 2,-0.1 2,-0.6 1,-0.1 -1,-0.1 0.857 131.9 47.3 -42.7 -48.2 -35.2 -26.8 -8.6 168 169 A S S S- 0 0 89 1,-0.0 2,-4.8 152,-0.0 -2,-0.4 -0.917 119.1-102.0 -92.2 122.0 -36.0 -26.2 -12.3 169 170 A G + 0 0 52 -2,-0.6 -2,-0.1 -4,-0.2 -1,-0.0 0.141 66.6 152.2 -45.8 24.1 -32.7 -24.7 -13.6 170 171 A E 0 0 141 -2,-4.8 -4,-1.7 1,-0.1 31,-0.0 -0.331 360.0 360.0 -52.8 131.3 -33.9 -21.1 -13.6 171 172 A S 0 0 98 -6,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.258 360.0 360.0-139.0 360.0 -30.8 -18.8 -13.2 172 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 173 175 A I 0 0 78 0, 0.0 2,-0.2 0, 0.0 -15,-0.0 0.000 360.0 360.0 360.0 -77.6 -26.6 -15.3 -9.7 174 176 A T - 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