==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 26-MAY-10 3N76 . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.V.B.DIAS,W.C SNEE,K.M.BROMFIELD,R.PAYNE,S.K.PALANINATHAN,A . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 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 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 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 2 A E 0 0 176 0, 0.0 2,-0.3 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 125.0 -16.8 -45.2 -63.1 2 3 A L - 0 0 37 41,-0.3 43,-2.2 138,-0.1 2,-0.5 -0.538 360.0-157.6 -67.5 129.4 -20.3 -46.6 -62.8 3 4 A I E -a 45 0A 55 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -0.951 10.8-162.8-105.5 132.1 -22.0 -46.1 -59.4 4 5 A V E -a 46 0A 0 41,-2.9 43,-2.6 -2,-0.5 2,-0.7 -0.969 10.1-143.2-122.6 129.9 -24.9 -48.6 -58.7 5 6 A N E -ab 47 71A 5 65,-2.7 67,-2.7 -2,-0.4 2,-0.6 -0.844 10.3-165.1 -93.9 116.6 -27.6 -48.2 -56.1 6 7 A V E -ab 48 72A 1 41,-3.5 43,-3.1 -2,-0.7 2,-0.5 -0.929 13.3-172.8 -98.2 118.6 -28.6 -51.3 -54.3 7 8 A I E -ab 49 73A 0 65,-2.8 67,-2.7 -2,-0.6 2,-0.4 -0.954 10.4-167.2-123.0 117.6 -31.9 -50.7 -52.5 8 9 A N E -ab 50 74A 0 41,-2.8 43,-2.0 -2,-0.5 67,-0.2 -0.904 12.8-153.1-102.1 133.3 -33.6 -53.1 -50.1 9 10 A G > - 0 0 0 65,-2.4 3,-1.3 -2,-0.4 4,-0.2 0.014 46.1 -21.0 -91.4-161.8 -37.3 -52.5 -49.0 10 11 A P T 3 S+ 0 0 22 0, 0.0 67,-0.3 0, 0.0 -1,-0.2 -0.085 122.8 4.1 -52.1 140.8 -39.3 -53.5 -45.9 11 12 A N T > S+ 0 0 116 -3,-0.1 3,-1.8 65,-0.1 41,-0.1 0.112 95.2 106.3 82.0 -19.9 -38.2 -56.4 -43.6 12 13 A L G X + 0 0 12 -3,-1.3 3,-1.1 1,-0.3 -1,-0.1 0.581 61.6 76.2 -74.3 -9.2 -34.9 -57.1 -45.5 13 14 A G G 3 S+ 0 0 28 -4,-0.2 15,-0.4 1,-0.2 -1,-0.3 0.694 90.9 59.7 -61.8 -21.2 -32.9 -55.5 -42.7 14 15 A R G <> S+ 0 0 118 -3,-1.8 4,-1.2 13,-0.1 -1,-0.2 0.319 79.6 142.1 -90.2 7.7 -33.6 -58.8 -40.9 15 16 A L B <4 -e 18 0B 5 -3,-1.1 2,-2.4 1,-0.2 13,-0.9 -0.124 67.4 -0.8 -53.2 138.3 -32.0 -61.0 -43.6 16 17 A G T 4 S+ 0 0 9 8,-0.7 11,-0.2 2,-0.7 -1,-0.2 -0.257 123.7 65.2 84.7 -50.4 -29.9 -64.0 -42.6 17 18 A R T 4 S+ 0 0 131 -2,-2.4 2,-0.4 9,-0.1 -1,-0.2 0.613 109.6 44.4 -82.5 -6.3 -30.4 -63.7 -38.8 18 19 A R B < S-e 15 0B 130 -4,-1.2 -2,-0.7 6,-0.2 5,-0.2 -0.996 121.1 -0.9-132.8 149.5 -34.1 -64.3 -39.5 19 20 A E >>> + 0 0 118 -2,-0.4 4,-2.2 -4,-0.1 3,-1.9 0.840 63.4 169.7 51.0 45.9 -36.0 -66.8 -41.6 20 21 A P H 3>5S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.789 72.4 64.4 -60.6 -23.7 -32.9 -68.5 -43.0 21 22 A A H 345S+ 0 0 103 2,-0.1 -2,-0.1 1,-0.1 4,-0.1 0.817 115.6 28.6 -64.5 -27.2 -35.1 -71.2 -44.5 22 23 A V H <45S+ 0 0 61 -3,-1.9 -1,-0.1 2,-0.1 -3,-0.1 0.894 135.7 20.2 -99.7 -49.4 -36.7 -68.6 -46.8 23 24 A Y H <5S- 0 0 58 -4,-2.2 3,-0.2 1,-0.2 -2,-0.1 0.307 108.6-108.1-114.0 4.4 -34.3 -65.8 -47.5 24 25 A G << - 0 0 28 -4,-1.1 -8,-0.7 -5,-0.5 -1,-0.2 0.031 29.6 -80.6 92.0 162.2 -31.0 -67.5 -46.8 25 26 A G S S+ 0 0 53 -5,-0.1 2,-0.5 -10,-0.1 -1,-0.2 0.428 88.6 109.8 -87.4 2.2 -28.4 -67.3 -44.0 26 27 A T - 0 0 35 -3,-0.2 -9,-0.1 -6,-0.1 2,-0.1 -0.688 62.8-140.0 -78.7 126.4 -26.6 -64.2 -45.4 27 28 A T > - 0 0 40 -2,-0.5 4,-2.7 -11,-0.2 -11,-0.2 -0.309 24.1-105.7 -76.8 166.9 -27.3 -61.2 -43.1 28 29 A H H > S+ 0 0 24 -13,-0.9 4,-2.6 -15,-0.4 5,-0.2 0.930 121.4 49.9 -61.7 -42.2 -27.9 -57.7 -44.4 29 30 A D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 112.2 48.2 -64.0 -35.6 -24.3 -56.5 -43.3 30 31 A E H > S+ 0 0 102 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.886 109.0 54.1 -68.2 -41.3 -22.7 -59.5 -45.0 31 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.929 108.2 50.1 -52.6 -53.8 -24.8 -58.8 -48.2 32 33 A V H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 112.1 47.4 -51.1 -49.9 -23.4 -55.3 -48.1 33 34 A A H X S+ 0 0 51 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.904 111.5 49.3 -61.3 -46.5 -19.9 -56.6 -47.8 34 35 A L H X S+ 0 0 44 -4,-3.3 4,-2.1 2,-0.2 5,-0.2 0.920 112.3 49.1 -61.7 -42.7 -20.4 -59.2 -50.6 35 36 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.946 112.9 46.2 -63.7 -44.3 -21.8 -56.5 -52.9 36 37 A E H X S+ 0 0 103 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.885 111.6 52.7 -65.9 -35.1 -18.9 -54.1 -52.2 37 38 A R H X S+ 0 0 185 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.927 112.9 43.6 -61.1 -47.4 -16.4 -56.9 -52.7 38 39 A E H X S+ 0 0 29 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.871 109.4 57.5 -65.2 -44.9 -17.9 -57.8 -56.1 39 40 A A H X>S+ 0 0 3 -4,-2.8 5,-2.5 -5,-0.2 4,-0.9 0.893 106.2 49.7 -53.6 -40.4 -18.1 -54.1 -57.1 40 41 A A H ><5S+ 0 0 76 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.951 108.2 52.3 -67.3 -46.4 -14.4 -53.7 -56.5 41 42 A E H 3<5S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.7 45.7 -49.1 -35.5 -13.6 -56.8 -58.7 42 43 A L H 3<5S- 0 0 41 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.536 113.2-114.8 -94.3 -4.9 -15.8 -55.2 -61.4 43 44 A G T <<5S+ 0 0 48 -3,-1.1 -41,-0.3 -4,-0.9 2,-0.2 0.786 79.4 111.7 79.3 27.6 -14.3 -51.6 -61.2 44 45 A L < - 0 0 17 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.721 64.1-124.5-120.6 173.8 -17.7 -50.1 -59.9 45 46 A K E -a 3 0A 124 -43,-2.2 -41,-2.9 -2,-0.2 2,-0.5 -0.995 20.5-158.6-122.2 131.5 -19.0 -48.6 -56.7 46 47 A A E -a 4 0A 8 -2,-0.4 2,-0.6 -43,-0.2 -41,-0.2 -0.944 6.7-161.3-108.7 129.7 -22.1 -50.0 -55.0 47 48 A V E -a 5 0A 43 -43,-2.6 -41,-3.5 -2,-0.5 2,-0.5 -0.970 15.8-165.3-106.4 110.8 -24.1 -48.0 -52.6 48 49 A V E +a 6 0A 24 -2,-0.6 2,-0.3 -43,-0.2 -41,-0.2 -0.890 15.4 165.7-105.6 124.4 -26.1 -50.5 -50.6 49 50 A R E -a 7 0A 59 -43,-3.1 -41,-2.8 -2,-0.5 2,-0.4 -0.974 16.0-166.6-141.5 145.9 -29.1 -49.1 -48.6 50 51 A Q E +a 8 0A 50 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.996 10.6 171.1-135.1 142.1 -32.2 -50.7 -46.8 51 52 A S - 0 0 18 -43,-2.0 -39,-0.2 -2,-0.4 -2,-0.0 -0.984 34.4-154.8-149.5 142.4 -35.3 -49.1 -45.4 52 53 A D S S+ 0 0 102 -2,-0.3 2,-0.6 -42,-0.2 -43,-0.1 0.482 78.7 93.3 -83.2 -6.3 -38.7 -50.2 -44.0 53 54 A S > - 0 0 54 1,-0.1 4,-2.8 -44,-0.1 5,-0.2 -0.815 61.3-159.4 -98.4 117.4 -40.0 -46.7 -45.1 54 55 A E H > S+ 0 0 72 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.906 97.6 54.1 -58.6 -42.1 -41.7 -46.3 -48.5 55 56 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 109.4 48.1 -55.5 -43.5 -41.0 -42.5 -48.3 56 57 A Q H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 111.1 49.7 -69.1 -44.7 -37.4 -43.2 -47.7 57 58 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.935 108.9 52.8 -54.3 -47.0 -37.2 -45.7 -50.6 58 59 A L H X S+ 0 0 35 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.889 107.1 52.8 -56.8 -40.9 -38.9 -43.1 -52.9 59 60 A D H X S+ 0 0 75 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.920 109.5 48.1 -62.2 -41.8 -36.2 -40.5 -51.9 60 61 A W H X S+ 0 0 33 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.879 112.7 49.2 -67.7 -35.1 -33.4 -43.0 -52.8 61 62 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.0 51.6 -65.8 -45.8 -35.1 -43.7 -56.1 62 63 A H H X S+ 0 0 73 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.888 107.6 52.0 -54.0 -45.7 -35.5 -40.0 -56.8 63 64 A Q H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.927 110.2 47.9 -65.9 -39.1 -31.8 -39.4 -56.2 64 65 A A H X>S+ 0 0 1 -4,-1.6 5,-2.3 2,-0.2 4,-0.7 0.855 110.1 53.3 -70.8 -32.7 -30.7 -42.2 -58.6 65 66 A A H ><5S+ 0 0 16 -4,-2.3 3,-0.8 3,-0.2 28,-0.2 0.954 110.6 46.4 -63.2 -48.2 -33.1 -40.7 -61.2 66 67 A D H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.808 118.0 42.5 -60.3 -36.7 -31.5 -37.2 -60.7 67 68 A A H 3<5S- 0 0 53 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.506 105.1-129.6 -87.4 -5.5 -27.9 -38.8 -61.0 68 69 A A T <<5 + 0 0 57 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.919 57.2 148.8 49.5 49.9 -28.9 -41.1 -63.9 69 70 A E < - 0 0 46 -5,-2.3 25,-0.3 -6,-0.1 -1,-0.2 -0.819 48.4-105.8-109.7 155.6 -27.5 -44.0 -62.0 70 71 A P - 0 0 3 0, 0.0 -65,-2.7 0, 0.0 2,-0.4 -0.299 29.4-148.7 -75.4 160.4 -28.7 -47.6 -62.2 71 72 A V E -bc 5 96A 0 24,-2.0 26,-2.7 -67,-0.2 2,-0.5 -0.995 15.6-161.8-131.6 137.4 -30.6 -49.3 -59.5 72 73 A I E -bc 6 97A 0 -67,-2.7 -65,-2.8 -2,-0.4 2,-0.5 -0.980 31.0-172.4-109.3 119.0 -30.9 -53.0 -58.2 73 74 A L E +bc 7 98A 2 24,-2.7 26,-2.6 -2,-0.5 2,-0.6 -0.976 29.1 178.5-125.6 122.1 -34.1 -53.0 -56.2 74 75 A N E -b 8 0A 6 -67,-2.7 -65,-2.4 -2,-0.5 -62,-0.1 -0.922 13.4-178.4-111.6 101.3 -35.6 -55.7 -54.0 75 76 A A > - 0 0 0 -2,-0.6 3,-1.3 1,-0.3 2,-0.1 0.475 18.7-153.1 -84.5 -0.3 -38.7 -53.9 -52.8 76 77 A G G > S- 0 0 18 1,-0.3 3,-1.7 -67,-0.2 4,-0.3 -0.452 70.8 -8.4 63.4-137.7 -40.0 -56.7 -50.6 77 78 A G G > S+ 0 0 35 -67,-0.3 3,-1.4 1,-0.3 4,-0.4 0.761 128.3 70.5 -68.8 -23.1 -43.8 -56.7 -50.1 78 79 A L G X> S+ 0 0 26 -3,-1.3 4,-2.4 1,-0.3 3,-1.0 0.751 80.5 77.2 -62.8 -24.6 -44.1 -53.3 -51.8 79 80 A T G <4 S+ 0 0 0 -3,-1.7 36,-2.5 1,-0.2 37,-0.5 0.897 104.9 34.3 -46.0 -39.9 -43.2 -55.2 -55.1 80 81 A H G <4 S+ 0 0 26 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.473 129.9 31.7 -99.6 -6.2 -46.8 -56.4 -55.1 81 82 A T T <4 S+ 0 0 92 -3,-1.0 2,-0.8 -4,-0.4 -2,-0.2 0.677 88.5 90.7-126.6 -30.7 -48.5 -53.4 -53.7 82 83 A S X + 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -1,-0.1 -0.700 24.6 166.7 -97.6 109.5 -47.0 -50.0 -54.4 83 84 A V H > S+ 0 0 68 -2,-0.8 4,-3.0 2,-0.2 5,-0.2 0.867 86.0 60.8 -74.7 -38.2 -47.9 -47.9 -57.5 84 85 A A H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.915 107.1 44.1 -47.0 -49.6 -46.0 -45.0 -55.8 85 86 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 111.5 53.4 -71.8 -42.1 -42.8 -46.9 -55.9 86 87 A R H X S+ 0 0 70 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.944 108.7 49.9 -53.9 -47.7 -43.4 -48.1 -59.5 87 88 A D H X S+ 0 0 97 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.851 110.6 49.0 -66.1 -33.0 -43.9 -44.5 -60.7 88 89 A A H < S+ 0 0 7 -4,-1.9 3,-0.5 -5,-0.2 4,-0.4 0.895 114.2 47.1 -64.8 -45.4 -40.7 -43.3 -59.0 89 90 A C H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.886 102.7 62.4 -62.5 -41.1 -38.9 -46.3 -60.6 90 91 A A H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 96.7 62.7 -53.5 -26.0 -40.5 -45.6 -64.1 91 92 A E T 3< S+ 0 0 119 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.711 76.7 109.2 -72.5 -23.8 -38.6 -42.3 -64.0 92 93 A L < - 0 0 21 -3,-1.7 -27,-0.1 -4,-0.4 4,-0.1 -0.316 48.1-168.4 -59.2 131.8 -35.1 -43.9 -63.9 93 94 A S S S+ 0 0 96 -28,-0.2 -1,-0.2 -24,-0.1 3,-0.1 0.724 71.5 66.1 -92.9 -23.5 -33.2 -43.4 -67.2 94 95 A A S S- 0 0 22 -25,-0.3 -25,-0.1 -30,-0.2 -23,-0.1 -0.548 107.4 -68.8 -87.6 169.0 -30.5 -45.9 -66.3 95 96 A P - 0 0 39 0, 0.0 -24,-2.0 0, 0.0 2,-0.5 -0.061 41.8-155.4 -61.9 147.8 -31.3 -49.7 -66.0 96 97 A L E -c 71 0A 6 -26,-0.2 25,-2.1 -4,-0.1 26,-1.4 -0.991 6.0-164.9-124.4 119.9 -33.4 -51.0 -63.1 97 98 A I E -cd 72 122A 7 -26,-2.7 -24,-2.7 -2,-0.5 2,-0.4 -0.945 9.7-148.0-111.3 122.6 -33.0 -54.6 -62.1 98 99 A E E -cd 73 123A 2 24,-2.3 26,-2.9 -2,-0.6 2,-0.4 -0.731 18.1-168.4 -82.4 129.2 -35.6 -56.1 -59.9 99 100 A V E - d 0 124A 0 -26,-2.6 2,-0.4 -2,-0.4 26,-0.2 -0.980 14.5-178.8-127.5 132.7 -34.3 -58.8 -57.5 100 101 A H E - d 0 125A 11 24,-2.4 26,-1.5 -2,-0.4 27,-0.7 -0.999 15.9-156.9-120.6 132.1 -36.2 -61.3 -55.3 101 102 A I S S+ 0 0 8 -2,-0.4 27,-2.1 24,-0.2 -1,-0.1 0.946 82.0 51.8 -63.4 -52.7 -34.2 -63.6 -53.1 102 103 A S S S- 0 0 15 24,-0.1 2,-1.2 25,-0.1 24,-1.0 -0.366 100.7-102.5 -81.8 159.0 -37.0 -66.2 -52.9 103 104 A N > - 0 0 79 23,-0.3 3,-2.2 22,-0.2 -1,-0.1 -0.737 35.4-166.1 -84.1 105.7 -38.7 -67.7 -56.0 104 105 A V T 3 S+ 0 0 9 -2,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.568 82.6 62.9 -73.9 -10.0 -41.9 -65.6 -55.7 105 106 A H T 3 S+ 0 0 87 1,-0.2 -1,-0.3 7,-0.1 7,-0.1 0.507 95.7 57.6 -87.5 -7.0 -43.6 -67.9 -58.2 106 107 A A S < S+ 0 0 80 -3,-2.2 -1,-0.2 5,-0.1 -2,-0.2 0.112 106.4 59.6-102.2 15.0 -43.3 -71.0 -55.9 107 108 A R S S- 0 0 81 -3,-0.4 2,-0.1 1,-0.3 -3,-0.1 -0.099 104.2 -23.2-122.3-151.3 -45.2 -69.2 -53.2 108 109 A E > - 0 0 80 1,-0.1 3,-1.6 -2,-0.1 4,-0.4 -0.423 62.6-114.7 -67.0 149.7 -48.7 -67.6 -52.7 109 110 A E G > S+ 0 0 147 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.806 112.1 64.0 -51.6 -39.7 -50.5 -66.5 -55.9 110 111 A F G > S+ 0 0 121 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.816 94.3 60.0 -61.2 -28.4 -50.3 -62.8 -54.8 111 112 A R G < S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.563 88.7 74.8 -73.0 -10.2 -46.4 -62.8 -54.9 112 113 A R G < S+ 0 0 127 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.2 0.505 84.9 76.2 -78.9 -5.6 -46.6 -63.7 -58.6 113 114 A H < - 0 0 97 -3,-1.2 2,-0.4 -4,-0.2 3,-0.1 -0.945 60.8-175.1-113.3 126.4 -47.6 -60.2 -59.5 114 115 A S - 0 0 14 -2,-0.5 -34,-0.2 1,-0.1 -35,-0.1 -0.967 23.3-162.1-117.7 128.7 -45.1 -57.3 -59.6 115 116 A Y S S+ 0 0 77 -36,-2.5 4,-0.3 -2,-0.4 -35,-0.1 0.716 97.7 53.4 -66.2 -23.1 -45.9 -53.6 -60.2 116 117 A L S >> S+ 0 0 2 -37,-0.5 3,-1.4 1,-0.1 4,-1.1 0.886 88.0 72.4 -87.4 -35.7 -42.1 -53.2 -60.9 117 118 A S G >4 S+ 0 0 43 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.869 93.2 56.1 -52.0 -46.6 -41.4 -55.9 -63.6 118 119 A P G 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.788 116.4 36.0 -61.0 -26.4 -43.2 -54.1 -66.4 119 120 A I G <4 S+ 0 0 50 -3,-1.4 -2,-0.2 -4,-0.3 2,-0.2 0.436 101.0 95.3-104.1 -1.5 -41.0 -50.9 -65.9 120 121 A A S << S- 0 0 16 -3,-1.1 -23,-0.2 -4,-1.1 3,-0.1 -0.515 76.7-129.5 -81.5 154.0 -37.8 -52.7 -65.0 121 122 A T S S- 0 0 75 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.936 85.9 -27.2 -58.9 -47.4 -35.0 -53.6 -67.5 122 123 A G E -d 97 0A 27 -26,-1.4 -24,-2.3 -3,-0.0 2,-0.4 -0.957 59.6-125.5-164.8 175.6 -35.1 -57.1 -66.2 123 124 A V E -d 98 0A 63 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.990 9.2-167.4-138.5 140.0 -35.9 -59.3 -63.2 124 125 A I E +d 99 0A 33 -26,-2.9 -24,-2.4 -2,-0.4 2,-0.4 -0.986 18.6 175.2-131.3 122.7 -34.0 -62.0 -61.3 125 126 A V E +d 100 0A 40 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.976 51.6 8.0-130.6 142.2 -35.8 -64.2 -58.9 126 127 A G S S+ 0 0 32 -26,-1.5 -23,-0.3 -24,-1.0 -25,-0.2 0.555 83.5 109.5 81.4 9.9 -35.1 -67.2 -56.6 127 128 A L S > S- 0 0 97 -27,-0.7 3,-0.7 1,-0.4 4,-0.3 0.228 74.4-137.4-102.1 20.2 -31.3 -67.3 -57.0 128 129 A G T > - 0 0 23 -27,-2.1 3,-1.4 -28,-0.2 -1,-0.4 -0.211 62.9 -22.3 59.9-148.0 -30.9 -66.1 -53.4 129 130 A I T >> S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 4,-1.0 0.783 128.2 73.3 -65.6 -26.9 -28.3 -63.4 -52.6 130 131 A Q H <> S+ 0 0 111 -3,-0.7 4,-3.1 1,-0.3 5,-0.3 0.825 79.9 79.0 -56.4 -32.0 -26.4 -64.2 -55.8 131 132 A G H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.3 0.875 95.1 45.3 -33.8 -52.6 -29.3 -62.4 -57.5 132 133 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.888 111.8 50.2 -67.6 -40.7 -27.7 -59.1 -56.5 133 134 A L H X S+ 0 0 29 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.879 112.7 48.3 -66.0 -38.2 -24.2 -60.1 -57.6 134 135 A L H X S+ 0 0 57 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.932 108.5 51.9 -69.1 -42.2 -25.5 -61.2 -60.9 135 136 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.889 109.2 52.8 -55.7 -40.6 -27.5 -58.0 -61.4 136 137 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.904 107.1 52.1 -67.8 -35.3 -24.3 -56.1 -60.7 137 138 A R H X S+ 0 0 126 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.913 107.9 50.7 -67.2 -40.7 -22.5 -58.1 -63.3 138 139 A Y H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.940 111.0 48.6 -56.7 -48.3 -25.1 -57.3 -65.9 139 140 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.873 106.6 56.5 -68.3 -29.8 -24.8 -53.6 -65.1 140 141 A A H >< S+ 0 0 23 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.915 113.5 41.0 -63.8 -43.1 -21.0 -53.7 -65.4 141 142 A E H 3< S+ 0 0 153 -4,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.766 104.5 63.9 -70.8 -31.7 -21.3 -55.1 -69.0 142 143 A H T 3< 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.024 360.0 360.0 -92.0 22.8 -24.1 -52.8 -70.0 143 144 A V < 0 0 121 -3,-0.8 -2,-0.3 -5,-0.1 -1,-0.2 -0.188 360.0 360.0-140.6 360.0 -21.6 -50.1 -69.5