==== 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 LYASE 20-JAN-05 1YM3 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBO . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.S.COVARRUBIAS,A.M.LARSSON,M.HOGBOM,J.LINDBERG,T.BERGFORS, . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 . 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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 0 0 0 0 1 0 0 2 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 1 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 . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 164 0, 0.0 3,-0.0 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 -7.9 30.1 24.6 3.6 2 5 A N > - 0 0 66 31,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.966 360.0-101.4-158.3 163.2 26.6 23.2 3.4 3 6 A P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.816 117.0 55.0 -62.1 -29.7 24.1 21.5 5.9 4 7 A V H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.940 111.8 41.5 -65.5 -48.4 24.9 18.0 4.6 5 8 A A H > S+ 0 0 44 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 115.4 52.4 -69.2 -36.8 28.6 18.2 5.1 6 9 A A H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.910 112.2 43.2 -64.4 -48.2 28.2 19.9 8.5 7 10 A W H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.904 110.4 56.6 -68.6 -39.0 25.8 17.3 9.9 8 11 A K H X S+ 0 0 116 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.924 106.2 51.7 -55.4 -44.5 28.0 14.4 8.5 9 12 A A H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.888 113.1 43.5 -60.0 -40.8 30.9 15.8 10.4 10 13 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.899 112.5 51.1 -74.6 -43.1 29.0 16.0 13.7 11 14 A K H X S+ 0 0 86 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.928 113.5 45.0 -60.8 -46.0 27.4 12.6 13.4 12 15 A E H X S+ 0 0 73 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.882 111.4 54.3 -65.4 -38.4 30.8 10.9 12.6 13 16 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.899 107.6 48.7 -63.2 -42.5 32.4 12.8 15.5 14 17 A N H X S+ 0 0 13 -4,-2.4 4,-2.7 36,-0.3 -1,-0.2 0.864 107.0 56.8 -67.3 -33.9 29.8 11.5 18.0 15 18 A E H X S+ 0 0 93 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.895 108.6 47.8 -57.6 -39.0 30.4 7.9 16.7 16 19 A R H X>S+ 0 0 24 -4,-1.7 5,-2.6 2,-0.2 4,-0.9 0.897 111.4 49.6 -71.0 -41.6 34.1 8.3 17.5 17 20 A F H ><5S+ 0 0 65 -4,-2.1 3,-0.9 32,-0.2 -2,-0.2 0.951 112.8 46.4 -58.0 -51.2 33.3 9.7 21.0 18 21 A V H 3<5S+ 0 0 68 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.5 53.6 -61.7 -36.9 30.9 6.8 21.8 19 22 A A H 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.682 112.6-120.5 -72.5 -17.4 33.4 4.3 20.4 20 23 A G T <<5S+ 0 0 61 -3,-0.9 -3,-0.2 -4,-0.9 -2,-0.1 0.815 83.8 108.6 79.1 33.0 36.1 5.7 22.8 21 24 A R < - 0 0 145 -5,-2.6 2,-0.2 -6,-0.1 -4,-0.1 -0.559 48.3-177.4-140.1 69.4 38.4 6.6 19.9 22 25 A P - 0 0 68 0, 0.0 -9,-0.0 0, 0.0 30,-0.0 -0.495 23.4-159.9 -76.9 139.6 38.5 10.4 19.5 23 26 A Q S S+ 0 0 125 1,-0.2 29,-0.1 28,-0.2 28,-0.0 0.729 89.8 46.4 -79.4 -28.4 40.5 12.2 16.8 24 27 A H S > S- 0 0 57 23,-0.1 3,-1.9 24,-0.1 -1,-0.2 -0.517 72.0-174.0-122.6 64.9 40.5 15.5 18.6 25 28 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 23,-0.0 -0.420 85.1 0.5 -60.7 128.8 41.5 15.0 22.3 26 29 A S G 3 S- 0 0 125 1,-0.3 22,-0.1 2,-0.2 27,-0.1 0.862 133.0 -64.9 48.7 44.1 41.1 18.3 24.1 27 30 A Q G < 0 0 53 -3,-1.9 27,-0.7 1,-0.3 -1,-0.3 0.677 360.0 360.0 55.5 26.4 40.0 19.7 20.7 28 31 A S < 0 0 95 -3,-1.4 -1,-0.3 25,-0.2 -2,-0.2 0.769 360.0 360.0 54.1 360.0 43.6 18.9 19.5 29 ! 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 30 42 A Q 0 0 197 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.4 38.6 28.0 10.5 31 43 A K - 0 0 144 1,-0.1 52,-0.0 2,-0.1 2,-0.0 -0.130 360.0 -91.3 -49.8 144.5 35.0 29.3 10.1 32 44 A P - 0 0 21 0, 0.0 25,-0.2 0, 0.0 24,-0.2 -0.322 22.4-152.7 -72.7 145.7 32.6 27.2 12.2 33 45 A T S S+ 0 0 35 23,-2.3 2,-0.3 1,-0.2 53,-0.3 0.751 76.5 8.0 -77.5 -35.0 30.8 24.2 10.8 34 46 A A E -a 57 0A 0 22,-1.2 24,-2.5 51,-0.1 2,-0.5 -0.996 60.3-127.0-149.6 151.9 27.8 24.5 13.2 35 47 A V E -ab 58 87A 0 51,-2.7 53,-2.8 -2,-0.3 2,-0.5 -0.889 26.3-159.9 -89.0 129.7 26.1 26.5 15.8 36 48 A I E -ab 59 88A 0 22,-2.6 24,-2.6 -2,-0.5 2,-0.7 -0.971 4.2-165.1-110.0 122.0 25.3 24.6 19.0 37 49 A F E +ab 60 89A 0 51,-3.0 53,-2.5 -2,-0.5 24,-0.2 -0.931 29.1 164.4-104.4 102.9 22.6 26.0 21.2 38 50 A G E -a 61 0A 0 22,-2.5 24,-1.6 -2,-0.7 2,-0.4 -0.550 38.8 -91.7-114.8 179.1 23.0 24.3 24.5 39 51 A C E > -a 62 0A 1 51,-0.5 3,-1.8 22,-0.2 24,-0.2 -0.772 23.2-136.1 -95.4 139.8 22.0 24.4 28.2 40 52 A A T 3 S+ 0 0 63 22,-1.5 23,-0.2 -2,-0.4 -1,-0.1 0.755 104.4 55.3 -66.1 -25.5 24.2 26.2 30.7 41 53 A D T 3 S+ 0 0 49 21,-0.2 -1,-0.3 2,-0.0 55,-0.1 0.348 76.0 126.4 -94.2 10.1 23.8 23.3 33.2 42 54 A S < - 0 0 23 -3,-1.8 3,-0.1 1,-0.1 52,-0.0 -0.289 56.2-144.1 -56.1 147.7 25.1 20.7 30.8 43 55 A R S S+ 0 0 127 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.514 75.7 46.0 -97.8 -9.2 27.9 18.7 32.4 44 56 A V S S- 0 0 29 4,-0.0 -1,-0.1 3,-0.0 2,-0.1 -0.998 85.0-107.0-142.1 138.8 30.1 18.2 29.3 45 57 A A >> - 0 0 40 -2,-0.3 4,-1.7 1,-0.1 3,-1.1 -0.365 22.0-132.7 -65.1 136.4 31.3 20.4 26.4 46 58 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.801 105.7 67.5 -56.5 -30.8 29.6 19.8 23.0 47 59 A E H 34>S+ 0 0 38 1,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.782 105.1 43.0 -61.3 -32.0 33.1 19.8 21.4 48 60 A I H X45S+ 0 0 86 -3,-1.1 3,-1.0 3,-0.2 -1,-0.2 0.896 110.8 53.3 -74.9 -49.1 33.8 16.5 23.3 49 61 A I H 3<5S+ 0 0 2 -4,-1.7 -32,-0.2 1,-0.3 -31,-0.2 0.869 122.2 31.5 -55.5 -39.6 30.3 15.0 22.6 50 62 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -36,-0.3 0.252 105.3-127.8-105.8 8.3 30.9 15.6 18.8 51 63 A D T < 5 + 0 0 5 -3,-1.0 2,-0.3 1,-0.1 -3,-0.2 0.889 49.9 160.1 44.4 61.1 34.7 15.2 18.8 52 64 A Q < - 0 0 10 -5,-2.2 -25,-0.2 -28,-0.1 -1,-0.1 -0.721 31.4-131.8-111.2 156.8 35.5 18.5 17.0 53 65 A G > - 0 0 4 -2,-0.3 3,-0.9 1,-0.2 2,-0.3 0.001 51.2 -40.3 -91.7-159.2 38.7 20.5 16.9 54 66 A L T 3 S- 0 0 127 -27,-0.7 -1,-0.2 1,-0.2 -27,-0.0 -0.522 121.5 -0.7 -77.5 125.5 39.4 24.2 17.4 55 67 A G T 3 S+ 0 0 42 -2,-0.3 -1,-0.2 2,-0.2 -22,-0.0 0.352 94.0 116.3 86.3 -0.4 37.0 26.8 16.0 56 68 A D S < S+ 0 0 41 -3,-0.9 -23,-2.3 -24,-0.2 -22,-1.2 0.699 70.6 50.7 -70.9 -26.1 34.7 24.1 14.5 57 69 A M E -a 34 0A 20 -4,-0.3 2,-0.6 -25,-0.2 -22,-0.2 -0.955 61.7-155.6-123.3 135.9 31.8 25.1 16.7 58 70 A F E -a 35 0A 47 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.5 -0.968 30.5-158.8-104.5 116.3 30.0 28.4 17.5 59 71 A V E -a 36 0A 52 -2,-0.6 2,-0.4 -24,-0.2 -22,-0.2 -0.904 20.9-179.6-117.4 117.4 28.5 27.8 20.9 60 72 A V E -a 37 0A 14 -24,-2.6 -22,-2.5 -2,-0.5 2,-0.4 -0.930 14.0-179.9-106.3 134.6 25.6 29.7 22.4 61 73 A R E +a 38 0A 81 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.980 10.1 159.1-142.2 129.9 24.4 28.5 26.0 62 74 A T E > -a 39 0A 28 -24,-1.6 3,-1.7 -2,-0.4 -22,-1.5 -0.944 52.3 -80.4-139.2 164.3 21.7 29.7 28.4 63 75 A A G > S- 0 0 37 -2,-0.3 3,-1.3 1,-0.3 -24,-0.1 -0.460 115.5 -6.5 -65.4 121.3 19.9 28.1 31.3 64 76 A G G 3 S- 0 0 0 -2,-0.3 -1,-0.3 1,-0.3 -25,-0.1 0.761 117.8 -77.3 66.6 23.4 17.1 25.9 29.9 65 77 A H G < S+ 0 0 1 -3,-1.7 -1,-0.3 -27,-0.2 -2,-0.1 0.761 76.0 176.6 56.1 28.4 17.8 27.0 26.3 66 78 A V < - 0 0 16 -3,-1.3 2,-0.5 1,-0.1 -1,-0.2 -0.393 16.5-146.2 -69.8 143.1 15.9 30.3 27.0 67 79 A I + 0 0 11 54,-0.1 2,-0.2 51,-0.1 -1,-0.1 -0.928 28.0 154.0-115.4 128.9 15.8 32.7 24.2 68 80 A D > - 0 0 70 -2,-0.5 4,-2.6 0, 0.0 5,-0.2 -0.727 62.0 -76.1-132.0-172.5 15.9 36.5 24.4 69 81 A S H > S+ 0 0 93 -2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.836 128.9 48.1 -57.5 -37.8 17.1 39.2 21.8 70 82 A A H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 111.9 49.2 -72.8 -37.9 20.8 38.7 22.5 71 83 A V H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.951 114.6 45.6 -61.5 -50.3 20.6 34.9 22.2 72 84 A L H X S+ 0 0 13 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.924 112.2 50.5 -60.5 -47.1 18.7 35.2 19.0 73 85 A G H X S+ 0 0 35 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.840 106.5 56.6 -60.2 -34.8 21.1 37.8 17.6 74 86 A S H X S+ 0 0 50 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.935 111.4 41.3 -60.6 -47.4 24.0 35.5 18.5 75 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.938 114.9 51.6 -67.4 -41.4 22.6 32.6 16.4 76 88 A E H X S+ 0 0 64 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.893 106.3 55.9 -63.4 -37.6 21.5 35.0 13.6 77 89 A Y H X>S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 5,-1.6 0.916 106.3 49.1 -59.3 -44.9 25.0 36.4 13.5 78 90 A A H <5S+ 0 0 0 -4,-1.6 6,-2.4 3,-0.2 -1,-0.2 0.902 117.1 42.6 -63.6 -38.3 26.6 33.0 13.0 79 91 A V H <5S+ 0 0 0 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.912 125.0 30.4 -74.7 -44.8 24.1 32.3 10.1 80 92 A T H <5S+ 0 0 57 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.810 132.1 28.4 -88.5 -38.1 24.2 35.6 8.3 81 93 A V T <5S+ 0 0 80 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.862 132.1 32.3 -89.4 -46.5 27.7 36.9 9.0 82 94 A L S - 0 0 1 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 -0.575 13.3-159.9 -70.8 116.9 18.3 19.1 33.2 96 108 A G H > S+ 0 0 37 -2,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.851 88.1 57.7 -67.5 -35.0 18.1 21.2 36.3 97 109 A A H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 107.4 48.0 -62.2 -41.4 16.5 24.2 34.6 98 110 A V H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 111.1 51.3 -64.2 -40.6 13.6 22.1 33.4 99 111 A N H X S+ 0 0 90 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.876 108.1 52.6 -63.2 -35.7 13.3 20.7 37.0 100 112 A A H X S+ 0 0 50 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.882 109.1 49.2 -66.1 -39.1 13.2 24.2 38.3 101 113 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.882 108.6 52.9 -64.8 -39.7 10.4 25.1 35.9 102 114 A L H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.928 109.2 50.8 -64.8 -41.8 8.4 22.0 36.9 103 115 A A H X S+ 0 0 49 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.886 108.1 50.9 -60.0 -43.2 8.8 23.2 40.6 104 116 A A H X>S+ 0 0 12 -4,-1.9 5,-1.0 1,-0.2 4,-0.7 0.853 107.2 54.1 -66.7 -34.4 7.5 26.7 39.8 105 117 A I H <5S+ 0 0 46 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.896 106.5 51.9 -66.8 -45.6 4.4 25.3 38.0 106 118 A N H <5S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.2 44.2 -48.7 -46.3 3.5 23.2 41.1 107 119 A D H <5S- 0 0 110 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.523 103.2-134.1 -86.1 -9.9 3.7 26.2 43.4 108 120 A G T <5S+ 0 0 60 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.587 72.6 85.2 66.9 15.6 1.8 28.4 41.0 109 121 A T S > S+ 0 0 57 3,-0.1 3,-1.1 4,-0.1 4,-0.8 -0.155 73.6 12.5 -93.9-177.2 12.1 36.7 41.5 113 125 A G T >4 S- 0 0 66 1,-0.2 3,-0.7 2,-0.2 4,-0.3 -0.166 124.0 -28.0 53.4-142.8 14.5 39.0 39.8 114 126 A Y T 3> S+ 0 0 201 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.532 126.2 80.3 -85.0 -9.3 15.8 37.8 36.4 115 127 A V H X> S+ 0 0 87 -3,-1.1 4,-2.2 1,-0.2 3,-0.6 0.825 84.7 63.4 -62.4 -30.2 15.3 34.2 37.4 116 128 A R H X S+ 0 0 7 -4,-2.2 4,-2.9 1,-0.3 3,-0.6 0.884 109.9 55.5 -63.0 -34.7 11.5 29.9 34.3 120 132 A E H 3< S+ 0 0 71 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 0.640 108.6 48.9 -72.3 -15.6 8.8 31.8 32.3 121 133 A R H <4 S+ 0 0 92 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.631 117.0 41.0 -95.7 -18.9 10.5 30.8 29.0 122 134 A V H XX S+ 0 0 0 -4,-1.2 4,-1.1 -3,-0.6 3,-1.0 0.762 101.3 71.0 -93.7 -34.4 10.8 27.1 30.0 123 135 A A H 3X S+ 0 0 13 -4,-2.9 4,-2.3 -5,-0.3 3,-0.4 0.836 86.1 64.1 -56.9 -39.0 7.4 26.7 31.6 124 136 A P H 3> S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.873 103.7 49.1 -54.0 -37.3 5.4 26.9 28.3 125 137 A S H <> S+ 0 0 5 -3,-1.0 4,-1.9 -4,-0.2 -2,-0.2 0.831 109.0 51.2 -70.2 -35.7 7.0 23.6 27.1 126 138 A V H X S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.910 109.9 50.8 -66.6 -39.8 6.3 21.8 30.4 127 139 A L H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.875 110.9 47.0 -64.8 -41.7 2.6 22.8 30.2 128 140 A L H X S+ 0 0 51 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.916 112.6 52.6 -61.8 -41.1 2.4 21.6 26.6 129 141 A G H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 -2,-0.2 0.898 108.5 48.2 -61.6 -42.3 4.1 18.4 27.8 130 142 A R H ><5S+ 0 0 142 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.872 106.5 56.9 -68.6 -39.1 1.6 17.9 30.7 131 143 A R H 3<5S+ 0 0 181 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4,-2.5 1,-0.2 5,-0.2 0.897 106.0 52.9 -66.6 -43.6 10.7 29.3 18.3 152 164 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 8,-0.2 0.919 112.5 44.5 -60.4 -42.0 14.0 30.0 16.4 153 165 A M H < S+ 0 0 52 -4,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.858 116.1 46.7 -69.0 -36.1 12.3 29.6 13.0 154 166 A A H < S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.5 43.8 -76.3 -36.4 9.2 31.7 14.0 155 167 A R H < S+ 0 0 137 -4,-2.5 2,-0.6 -5,-0.2 -1,-0.2 0.701 109.6 56.7 -86.2 -18.6 11.1 34.6 15.6 156 168 A S X - 0 0 2 -4,-1.3 4,-2.4 -5,-0.2 5,-0.2 -0.913 51.1-174.6-122.9 106.3 13.9 35.0 13.0 157 169 A S H > S+ 0 0 88 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.835 89.8 59.7 -63.4 -31.3 13.1 35.7 9.3 158 170 A A H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.906 110.2 42.0 -64.8 -38.7 16.8 35.5 8.5 159 171 A I H > S+ 0 0 0 -7,-0.2 4,-2.0 2,-0.2 3,-0.2 0.948 115.5 48.0 -69.5 -52.5 16.9 31.9 9.8 160 172 A S H X S+ 0 0 47 -4,-2.4 4,-2.4 -7,-0.3 5,-0.2 0.918 110.7 52.1 -60.9 -39.4 13.6 30.8 8.3 161 173 A E H X S+ 0 0 139 -4,-2.6 4,-1.9 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