==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-FEB-04 1S8N . COMPND 2 MOLECULE: PUTATIVE ANTITERMINATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.P.MORTH,V.FENG,L.J.PERRY,D.I.SVERGUN,P.A.TUCKER,TB STRUCTU . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 12.6 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 . 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 11 A A 0 0 153 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.6 14.4 22.9 38.3 2 12 A V - 0 0 123 1,-0.1 48,-0.0 2,-0.0 2,-0.0 -0.403 360.0 -88.8 -66.5 150.7 16.4 20.9 40.8 3 13 A P + 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.323 50.6 160.4 -59.8 139.0 14.5 19.6 43.9 4 14 A R + 0 0 167 1,-0.2 25,-3.0 -3,-0.1 2,-0.6 0.544 56.4 71.7-122.0 -35.8 14.2 21.8 46.9 5 15 A R E -a 29 0A 76 23,-0.2 45,-2.2 43,-0.1 46,-1.1 -0.760 66.9-172.3 -96.2 117.4 11.3 20.4 48.9 6 16 A V E -ab 30 51A 0 23,-3.2 25,-2.5 -2,-0.6 26,-1.0 -0.901 21.1-158.2-122.8 134.7 12.1 17.1 50.6 7 17 A L E -ab 32 52A 2 44,-2.6 46,-2.4 -2,-0.4 2,-0.3 -0.933 18.9-163.2-100.3 125.9 10.2 14.4 52.6 8 18 A I E -ab 33 53A 0 24,-2.3 26,-3.1 -2,-0.5 2,-0.4 -0.858 8.8-170.2-109.0 150.2 12.3 12.3 54.8 9 19 A A E +ab 34 54A 0 44,-2.3 46,-2.2 -2,-0.3 2,-0.3 -0.923 26.9 133.8-140.5 111.9 11.4 8.9 56.4 10 20 A E - 0 0 0 24,-2.2 48,-0.1 -2,-0.4 26,-0.1 -0.917 38.0-157.7-161.6 129.7 13.6 7.3 59.0 11 21 A D S S+ 0 0 73 46,-0.4 2,-0.6 -2,-0.3 -1,-0.1 0.744 75.2 86.2 -89.0 -21.0 12.7 5.7 62.3 12 22 A E S > S- 0 0 110 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.700 71.3-150.5 -81.7 118.8 16.2 6.1 63.9 13 23 A A H > S+ 0 0 44 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.834 90.7 51.9 -63.5 -36.6 16.2 9.6 65.4 14 24 A L H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 111.9 44.9 -70.9 -43.1 19.9 10.3 65.0 15 25 A I H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 114.5 51.4 -61.9 -42.7 20.0 9.4 61.3 16 26 A R H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.932 112.5 44.3 -57.3 -48.5 16.8 11.4 60.8 17 27 A M H X S+ 0 0 105 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 115.1 48.1 -66.1 -41.8 18.3 14.5 62.6 18 28 A D H X S+ 0 0 80 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.911 112.2 49.2 -68.6 -38.4 21.6 14.2 60.8 19 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.937 110.7 50.2 -65.1 -46.3 19.9 13.8 57.4 20 30 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.4 48.9 -58.5 -43.0 17.7 16.8 58.0 21 31 A E H X S+ 0 0 82 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.929 109.8 50.7 -63.2 -48.0 20.6 19.0 59.0 22 32 A M H X S+ 0 0 24 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.897 112.3 48.6 -49.8 -49.4 22.7 18.0 55.9 23 33 A L H ><>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 3,-0.7 0.926 109.8 49.4 -66.5 -44.2 19.8 18.8 53.7 24 34 A R H ><5S+ 0 0 130 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.893 108.1 55.4 -60.4 -38.6 19.2 22.2 55.3 25 35 A E H 3<5S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 107.2 50.1 -66.0 -25.3 22.9 23.1 55.0 26 36 A E T <<5S- 0 0 97 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.202 128.4 -94.8-103.5 14.3 22.7 22.3 51.2 27 37 A G T < 5S+ 0 0 48 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.621 76.9 138.7 91.1 17.1 19.7 24.5 50.7 28 38 A Y < - 0 0 39 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.3 -0.595 45.7-136.3 -86.1 154.2 16.8 22.1 50.9 29 39 A E E -a 5 0A 103 -25,-3.0 -23,-3.2 -2,-0.2 2,-0.7 -0.958 15.0-137.4-106.0 125.1 13.5 22.6 52.7 30 40 A I E +a 6 0A 37 -2,-0.5 -23,-0.2 -25,-0.2 3,-0.1 -0.729 25.7 174.1 -80.0 113.7 12.2 19.7 54.8 31 41 A V E + 0 0 31 -25,-2.5 2,-0.3 -2,-0.7 -24,-0.2 0.509 64.1 6.5-102.2 -3.9 8.4 19.5 54.2 32 42 A G E -a 7 0A 12 -26,-1.0 -24,-2.3 2,-0.0 2,-0.4 -0.935 49.3-155.6-169.6 151.8 7.9 16.3 56.2 33 43 A E E -a 8 0A 88 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.917 19.9-173.0-131.1 106.8 9.4 13.8 58.6 34 44 A A E -a 9 0A 0 -26,-3.1 -24,-2.2 -2,-0.4 3,-0.1 -0.710 17.1-171.5 -96.0 147.8 7.9 10.3 58.6 35 45 A G S S+ 0 0 27 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.338 74.5 44.9-117.7 1.9 8.9 7.6 61.1 36 46 A D S > S- 0 0 34 22,-0.1 4,-1.9 -26,-0.1 24,-0.2 -0.986 81.6-118.5-142.8 160.0 6.9 4.9 59.4 37 47 A G H > S+ 0 0 0 22,-2.1 4,-1.8 24,-0.5 23,-0.1 0.777 110.3 53.8 -67.2 -29.5 6.3 3.7 55.8 38 48 A Q H > S+ 0 0 69 21,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.936 109.0 47.6 -72.4 -45.5 2.6 4.3 55.8 39 49 A E H > S+ 0 0 77 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.885 108.3 58.9 -58.3 -36.4 2.9 8.0 56.8 40 50 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.939 108.2 42.9 -61.1 -48.6 5.6 8.3 54.2 41 51 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.929 115.5 50.2 -61.1 -44.8 3.2 7.3 51.4 42 52 A E H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 113.0 44.6 -61.9 -44.7 0.5 9.5 52.8 43 53 A L H X>S+ 0 0 26 -4,-3.0 4,-3.1 2,-0.2 5,-0.5 0.876 109.3 55.9 -70.8 -36.7 2.7 12.5 53.1 44 54 A A H X5S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.909 113.4 42.4 -61.4 -40.1 4.2 12.0 49.7 45 55 A E H <5S+ 0 0 76 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.860 118.0 46.5 -69.7 -36.1 0.6 12.1 48.3 46 56 A L H <5S+ 0 0 122 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.946 126.9 22.9 -72.7 -47.9 -0.4 15.0 50.5 47 57 A H H <5S- 0 0 75 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.623 86.4-143.6-101.1 -18.0 2.5 17.4 50.0 48 58 A K << - 0 0 119 -4,-1.3 -4,-0.1 -5,-0.5 -3,-0.1 0.949 28.7-157.3 45.4 65.4 3.9 16.1 46.6 49 59 A P - 0 0 3 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.073 23.5-124.8 -65.2 165.4 7.5 16.8 47.6 50 60 A D S S+ 0 0 59 -45,-2.2 2,-0.3 1,-0.2 -44,-0.2 0.610 93.5 13.1 -82.0 -14.8 10.3 17.3 45.1 51 61 A L E -b 6 0A 0 -46,-1.1 -44,-2.6 25,-0.2 2,-0.4 -0.969 62.7-154.0-163.4 140.4 12.4 14.5 46.6 52 62 A V E -bc 7 78A 0 25,-2.3 27,-2.7 -2,-0.3 2,-0.4 -0.990 6.8-173.0-122.1 132.5 11.8 11.6 49.1 53 63 A I E +bc 8 79A 0 -46,-2.4 -44,-2.3 -2,-0.4 2,-0.3 -0.992 20.8 165.1-125.3 121.2 14.6 10.0 51.2 54 64 A M E -bc 9 80A 0 25,-2.6 27,-2.3 -2,-0.4 -44,-0.2 -0.988 37.1-108.3-143.6 144.3 13.6 6.9 53.1 55 65 A D E - c 0 81A 4 -46,-2.2 27,-0.2 -2,-0.3 8,-0.1 -0.437 23.5-130.0 -72.1 145.4 15.1 4.0 55.0 56 66 A V S S+ 0 0 2 25,-2.9 8,-1.2 7,-0.2 7,-0.5 0.820 101.5 52.2 -62.7 -31.3 14.9 0.5 53.4 57 67 A K S S+ 0 0 88 24,-0.3 -46,-0.4 5,-0.2 -1,-0.1 -0.937 71.6 158.6-108.4 124.4 13.6 -0.7 56.7 58 68 A M - 0 0 10 -2,-0.5 -22,-0.1 -48,-0.1 6,-0.1 -0.989 41.0-104.3-138.3 148.5 10.6 1.2 58.2 59 69 A P S S+ 0 0 54 0, 0.0 2,-2.5 0, 0.0 -22,-2.1 -0.348 97.5 7.8 -61.3 150.5 7.9 0.2 60.8 60 70 A R S S+ 0 0 215 -24,-0.2 2,-0.4 -23,-0.1 -24,-0.1 -0.351 139.6 25.2 83.7 -61.0 4.4 -0.6 59.6 61 71 A R S S- 0 0 52 -2,-2.5 -24,-0.5 4,-0.0 -22,-0.1 -0.982 94.4-119.1-136.3 119.9 5.2 -0.6 55.9 62 72 A D > - 0 0 64 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.206 23.4-114.6 -66.7 155.3 8.8 -1.4 55.0 63 73 A G H > S+ 0 0 0 -7,-0.5 4,-3.2 1,-0.2 -6,-0.2 0.824 113.4 53.4 -61.3 -35.1 10.6 1.3 53.1 64 74 A I H > S+ 0 0 36 -8,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.925 111.1 45.9 -68.7 -44.2 11.0 -0.7 49.9 65 75 A D H > S+ 0 0 85 -9,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.929 118.0 43.4 -58.8 -47.7 7.3 -1.4 49.7 66 76 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 113.4 51.9 -65.0 -42.1 6.5 2.2 50.4 67 77 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.2 -2,-0.2 0.915 108.6 50.8 -61.6 -42.6 9.2 3.4 48.0 68 78 A S H X S+ 0 0 26 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.884 110.2 50.1 -62.8 -39.7 7.8 1.2 45.3 69 79 A E H X S+ 0 0 63 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.938 111.9 46.5 -64.9 -45.7 4.4 2.6 45.8 70 80 A I H ><>S+ 0 0 2 -4,-2.6 5,-1.0 1,-0.2 3,-0.9 0.913 111.1 53.4 -60.7 -42.4 5.6 6.2 45.7 71 81 A A H ><5S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.2 27,-0.3 0.865 102.0 58.4 -58.1 -40.9 7.7 5.4 42.5 72 82 A S H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.713 103.1 53.5 -67.9 -19.6 4.6 4.0 40.8 73 83 A K T <<5S- 0 0 114 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.504 101.7-134.5 -91.8 -7.6 2.8 7.3 41.2 74 84 A R T < 5 + 0 0 83 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.881 59.3 138.1 54.8 42.4 5.7 9.2 39.5 75 85 A I < - 0 0 32 -5,-1.0 -4,-0.1 1,-0.3 -1,-0.1 0.895 66.0 -27.7 -78.9 -46.6 5.6 11.9 42.3 76 86 A A S S- 0 0 3 -6,-0.2 -1,-0.3 -73,-0.0 -25,-0.2 -0.986 70.5 -77.7-165.1 157.4 9.3 12.4 43.0 77 87 A P - 0 0 5 0, 0.0 -25,-2.3 0, 0.0 2,-0.4 -0.387 47.3-147.5 -63.6 150.1 12.8 10.9 42.9 78 88 A I E -cd 52 99A 0 20,-0.5 22,-2.0 40,-0.2 2,-0.5 -0.989 15.0-165.3-130.3 127.7 13.5 8.6 45.8 79 89 A V E -cd 53 100A 0 -27,-2.7 -25,-2.6 -2,-0.4 2,-0.6 -0.957 14.9-155.1-106.0 129.6 16.7 7.8 47.6 80 90 A V E -cd 54 101A 0 20,-3.0 22,-2.3 -2,-0.5 2,-0.4 -0.918 8.3-141.3-110.3 119.5 16.6 4.7 49.8 81 91 A L E +cd 55 102A 0 -27,-2.3 -25,-2.9 -2,-0.6 2,-0.3 -0.652 34.0 161.3 -78.6 132.3 19.0 4.4 52.8 82 92 A T E - d 0 103A 0 20,-2.5 22,-2.3 -2,-0.4 2,-0.1 -0.998 44.0-106.9-149.5 149.4 20.4 1.0 53.3 83 93 A A E > - d 0 104A 33 -2,-0.3 3,-1.7 20,-0.2 4,-0.4 -0.469 44.5-112.6 -63.9 150.4 23.2 -1.0 55.0 84 94 A F G > S+ 0 0 122 20,-0.5 3,-1.6 1,-0.3 4,-0.2 0.905 117.9 55.5 -50.3 -45.2 25.7 -2.2 52.4 85 95 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.608 107.5 49.7 -72.2 -11.2 24.6 -5.8 53.0 86 96 A Q G X> S+ 0 0 65 -3,-1.7 3,-1.9 1,-0.1 4,-0.5 0.323 74.9 106.9-107.3 5.9 21.0 -5.0 52.3 87 97 A R H X> + 0 0 72 -3,-1.6 4,-1.9 -4,-0.4 3,-1.0 0.764 68.8 68.0 -53.5 -28.7 21.5 -3.2 49.0 88 98 A D H 3> S+ 0 0 85 1,-0.3 4,-2.2 -3,-0.2 -1,-0.3 0.763 87.7 66.4 -68.8 -23.2 20.1 -6.1 47.0 89 99 A L H <4 S+ 0 0 66 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.849 106.8 41.6 -62.5 -33.2 16.7 -5.3 48.5 90 100 A V H XX S+ 0 0 5 -3,-1.0 3,-1.5 -4,-0.5 4,-1.2 0.873 111.8 53.9 -83.4 -39.6 16.8 -2.1 46.5 91 101 A E H 3< S+ 0 0 89 -4,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.869 109.2 50.0 -50.4 -40.7 18.2 -3.7 43.4 92 102 A R T 3< S+ 0 0 200 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.310 112.8 50.3 -87.0 11.9 15.4 -6.3 43.5 93 103 A A T X4 S+ 0 0 10 -3,-1.5 3,-1.7 2,-0.1 -1,-0.2 0.529 79.4 80.7-134.0 -21.5 12.9 -3.4 43.8 94 104 A R G >< S+ 0 0 57 -4,-1.2 3,-1.1 -3,-0.3 -2,-0.1 0.543 74.4 89.1 -67.7 -6.4 13.7 -0.8 41.0 95 105 A D G 3 S+ 0 0 150 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.609 88.4 50.6 -50.4 -13.3 11.7 -3.5 39.2 96 106 A A G < S- 0 0 41 -3,-1.7 2,-0.3 1,-0.5 -1,-0.2 0.566 127.2 -57.0-108.0 -14.5 9.0 -1.1 40.4 97 107 A G S < S- 0 0 10 -3,-1.1 2,-0.6 -4,-0.1 -1,-0.5 -0.907 77.6 -35.5 142.9-179.2 10.2 2.3 39.3 98 108 A A + 0 0 5 -2,-0.3 -20,-0.5 -27,-0.3 2,-0.3 -0.600 65.1 130.8 -96.2 117.7 13.1 4.7 39.6 99 109 A M E -d 78 0A 0 -2,-0.6 2,-0.3 -22,-0.1 -20,-0.2 -0.926 36.0-143.8-146.9 166.3 15.1 5.0 42.8 100 110 A A E -d 79 0A 0 -22,-2.0 -20,-3.0 -2,-0.3 2,-0.2 -0.991 17.0-131.0-130.7 149.3 18.7 5.0 44.0 101 111 A Y E -d 80 0A 78 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.644 10.4-160.0 -94.0 156.0 20.2 3.6 47.2 102 112 A L E -d 81 0A 12 -22,-2.3 -20,-2.5 -2,-0.2 2,-0.3 -0.989 21.1-129.1-132.8 123.4 22.6 5.3 49.6 103 113 A V E -d 82 0A 47 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.1 -0.539 35.1-104.4 -76.6 132.2 24.7 3.2 51.9 104 114 A K E S+d 83 0A 53 -22,-2.3 -20,-0.5 -2,-0.3 2,-0.2 -0.821 98.0 53.0 -94.8 150.6 24.6 4.0 55.6 105 115 A P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.516 85.8 167.1 -70.0 153.0 26.5 5.4 57.4 106 116 A F - 0 0 31 -2,-0.2 2,-0.2 -4,-0.1 -2,-0.1 -0.890 26.5-157.3-135.7 158.0 26.7 8.4 55.1 107 117 A S >> - 0 0 49 -2,-0.3 4,-2.3 -3,-0.0 3,-1.5 -0.755 45.7 -90.7-122.3 177.1 27.9 12.0 54.9 108 118 A I H 3> S+ 0 0 46 1,-0.3 4,-2.3 -2,-0.2 -89,-0.0 0.864 125.2 61.0 -57.8 -35.2 26.9 14.9 52.7 109 119 A S H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.749 111.3 39.8 -65.1 -23.6 29.6 13.9 50.2 110 120 A D H <> S+ 0 0 76 -3,-1.5 4,-1.3 2,-0.1 -1,-0.2 0.762 113.8 53.9 -88.7 -37.7 27.8 10.6 49.8 111 121 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.896 99.5 59.9 -68.8 -40.5 24.3 12.0 49.8 112 122 A I H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.935 107.3 44.1 -63.4 -48.1 24.7 14.5 47.1 113 123 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 112.1 54.6 -60.7 -34.3 25.7 12.0 44.4 114 124 A A H X S+ 0 0 10 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.912 109.0 47.6 -65.3 -38.5 22.8 9.7 45.5 115 125 A I H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.931 110.8 51.8 -64.5 -43.6 20.3 12.5 45.1 116 126 A E H X S+ 0 0 112 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.890 111.3 47.6 -60.2 -40.1 21.8 13.3 41.7 117 127 A L H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.921 112.0 48.6 -66.4 -44.8 21.4 9.7 40.7 118 128 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -40,-0.2 0.918 112.3 49.3 -63.9 -42.5 17.8 9.5 42.0 119 129 A V H X S+ 0 0 34 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.902 110.2 51.1 -61.1 -43.3 16.9 12.7 40.1 120 130 A S H X S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.930 110.8 47.4 -59.9 -47.8 18.5 11.4 36.9 121 131 A R H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 112.8 50.0 -64.4 -37.9 16.6 8.1 37.0 122 132 A F H X S+ 0 0 46 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.935 109.5 50.4 -63.1 -46.7 13.3 10.0 37.8 123 133 A R H X S+ 0 0 113 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.862 108.8 53.0 -62.5 -35.6 13.9 12.4 34.9 124 134 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.929 110.3 47.3 -63.5 -44.6 14.5 9.4 32.6 125 135 A I H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 115.0 45.0 -61.1 -47.7 11.1 7.8 33.7 126 136 A T H X S+ 0 0 55 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.893 111.8 52.4 -71.2 -33.1 9.2 11.1 33.2 127 137 A A H X S+ 0 0 19 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.909 112.4 45.5 -63.8 -41.5 10.9 11.7 29.9 128 138 A L H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.828 108.7 55.8 -72.6 -34.0 9.9 8.3 28.6 129 139 A E H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.867 117.3 37.4 -60.3 -34.9 6.4 8.6 30.0 130 140 A G H < S+ 0 0 70 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.801 121.6 40.5 -90.0 -31.4 6.0 11.8 27.9 131 141 A E H < S+ 0 0 89 -4,-2.1 2,-0.5 -5,-0.1 -3,-0.2 0.789 101.5 67.4 -92.6 -33.5 8.0 10.9 24.8 132 142 A V < - 0 0 15 -4,-1.7 6,-0.1 -5,-0.2 -1,-0.1 -0.807 69.0-148.8-100.3 128.4 7.0 7.2 24.0 133 143 A A S S+ 0 0 86 -2,-0.5 2,-0.3 4,-0.0 -1,-0.1 0.869 71.9 36.9 -67.9 -42.2 3.3 6.7 23.0 134 144 A T S > S- 0 0 61 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.844 72.3-124.5-121.7 155.1 2.7 3.2 24.4 135 145 A L H > S+ 0 0 111 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.877 110.4 51.7 -60.9 -42.3 3.6 1.2 27.4 136 146 A S H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.931 113.3 44.5 -66.7 -41.9 5.0 -1.8 25.4 137 147 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 112.1 55.4 -60.8 -40.3 7.3 0.6 23.4 138 148 A R H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.906 103.2 52.7 -66.5 -41.9 8.2 2.4 26.6 139 149 A L H X S+ 0 0 104 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.936 115.3 41.1 -59.3 -43.9 9.4 -0.8 28.4 140 150 A E H X S+ 0 0 112 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.823 111.9 55.4 -78.1 -27.7 11.7 -1.6 25.5 141 151 A T H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.933 106.9 51.2 -69.3 -42.8 12.8 1.9 25.0 142 152 A R H X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.937 109.2 50.0 -54.5 -47.7 13.8 2.0 28.7 143 153 A K H X S+ 0 0 120 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.906 112.3 48.3 -60.8 -39.6 15.9 -1.1 28.3 144 154 A L H X S+ 0 0 28 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.928 111.0 49.3 -65.3 -45.8 17.5 0.4 25.2 145 155 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.900 110.0 52.6 -59.1 -42.2 18.3 3.7 27.0 146 156 A E H X S+ 0 0 46 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.6 48.3 -63.8 -40.3 19.8 1.7 29.9 147 157 A R H X S+ 0 0 154 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 112.5 48.6 -64.1 -41.9 22.0 -0.2 27.5 148 158 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.931 110.2 51.4 -66.9 -43.5 23.1 3.0 25.9 149 159 A K H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.937 108.3 52.6 -51.7 -49.8 23.8 4.6 29.3 150 160 A G H X S+ 0 0 28 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.877 109.5 48.4 -58.4 -39.9 25.9 1.7 30.2 151 161 A L H X S+ 0 0 33 -4,-1.9 4,-3.0 2,-0.2 5,-0.5 0.909 111.0 49.4 -68.5 -42.1 28.0 2.0 27.1 152 162 A L H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 6,-1.3 0.894 112.4 50.4 -62.2 -38.8 28.6 5.7 27.6 153 163 A Q H X S+ 0 0 58 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.956 120.1 32.7 -63.0 -51.9 29.6 5.0 31.1 154 164 A T H < S+ 0 0 121 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.917 125.7 39.1 -74.3 -42.3 32.1 2.3 30.3 155 165 A K H < S+ 0 0 116 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.783 129.8 26.9 -84.8 -27.3 33.4 3.5 27.0 156 166 A H H < S- 0 0 112 -4,-1.5 -1,-0.2 -5,-0.5 -3,-0.2 0.366 102.8-116.6-117.5 2.0 33.5 7.2 27.7 157 167 A G < + 0 0 68 -4,-1.0 2,-0.2 1,-0.2 -4,-0.2 0.762 59.4 153.3 77.9 24.0 34.0 7.3 31.4 158 168 A M - 0 0 48 -6,-1.3 -1,-0.2 -9,-0.1 -2,-0.1 -0.589 45.1-119.0 -86.6 151.5 30.7 9.0 32.2 159 169 A T > - 0 0 79 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.371 36.3-103.9 -72.3 165.5 28.8 8.8 35.4 160 170 A E H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 121.5 47.8 -61.9 -46.8 25.3 7.4 35.1 161 171 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 112.7 49.1 -60.8 -41.0 23.6 10.8 35.4 162 172 A D H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.873 109.3 53.7 -67.1 -33.1 26.0 12.3 32.8 163 173 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.930 111.5 43.8 -64.7 -46.9 25.3 9.4 30.5 164 174 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.925 112.2 53.0 -63.9 -43.3 21.5 9.9 30.6 165 175 A K H X S+ 0 0 81 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.888 106.1 54.8 -59.6 -39.8 21.9 13.7 30.3 166 176 A W H X S+ 0 0 97 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.938 109.1 47.1 -55.3 -51.5 24.0 13.2 27.2 167 177 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.944 114.8 46.5 -58.4 -47.2 21.3 11.1 25.6 168 178 A Q H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.916 114.7 45.1 -60.8 -46.8 18.6 13.7 26.5 169 179 A R H X S+ 0 0 173 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.885 112.8 51.7 -70.3 -37.2 20.6 16.7 25.3 170 180 A A H X S+ 0 0 14 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.923 110.5 48.3 -60.4 -48.0 21.6 14.9 22.1 171 181 A A H <>S+ 0 0 4 -4,-2.4 5,-2.6 -5,-0.2 4,-0.5 0.919 114.2 46.6 -62.0 -40.4 18.0 14.0 21.3 172 182 A M H ><5S+ 0 0 140 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.948 114.6 45.6 -67.9 -44.3 16.9 17.6 22.0 173 183 A D H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.873 115.6 45.8 -69.1 -35.1 19.6 19.2 19.9 174 184 A R T 3<5S- 0 0 121 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.448 108.9-126.0 -82.8 -4.6 19.2 16.8 17.0 175 185 A R T < 5S+ 0 0 199 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.940 75.0 102.5 53.5 52.1 15.4 17.3 17.2 176 186 A T S - 0 0 49 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.772 26.3-121.2-115.2 156.4 14.0 11.0 20.2 178 188 A M H > S+ 0 0 1 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.885 115.0 60.5 -57.1 -39.6 15.9 9.4 23.0 179 189 A K H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.938 106.8 43.6 -52.8 -50.5 15.0 6.1 21.3 180 190 A R H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 114.1 49.4 -68.4 -40.5 16.9 7.1 18.1 181 191 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.934 113.3 47.4 -61.2 -45.7 19.8 8.5 20.0 182 192 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.891 108.3 55.0 -63.7 -40.5 20.1 5.3 22.1 183 193 A E H X S+ 0 0 82 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.925 109.8 47.2 -58.5 -43.8 19.8 3.1 19.0 184 194 A V H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.898 107.9 55.0 -68.8 -36.1 22.8 4.9 17.4 185 195 A V H X>S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 5,-0.5 0.942 109.7 48.0 -58.1 -47.2 24.8 4.7 20.6 186 196 A L H X5S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 111.2 50.2 -57.6 -44.8 24.2 0.9 20.5 187 197 A E H <5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.9 38.4 -60.7 -39.4 25.2 0.7 16.8 188 198 A T H <5S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.887 132.8 18.1 -83.0 -40.5 28.4 2.7 17.5 189 199 A L H <5 0 0 27 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.597 360.0 360.0-109.4 -17.4 29.6 1.4 20.9 190 200 A G << 0 0 79 -4,-2.1 -42,-0.0 -5,-0.5 -4,-0.0 -0.245 360.0 360.0 -81.2 360.0 27.8 -2.0 21.3