==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-DEC-05 2FCL . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM1012; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 21.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 2 0 0 1 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 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 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 0 149 0, 0.0 2,-0.1 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 -66.0 41.5 22.7 -6.7 2 2 A I - 0 0 42 31,-0.1 38,-0.1 1,-0.1 5,-0.0 -0.408 360.0-111.3 -72.1 134.9 38.6 24.6 -5.0 3 3 A R >> - 0 0 81 -2,-0.1 4,-1.8 1,-0.1 3,-1.0 -0.350 25.7-116.7 -68.3 146.1 35.6 25.3 -7.2 4 4 A P H 3> S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.824 111.6 61.1 -53.4 -38.4 35.1 29.0 -8.1 5 5 A E H 3> S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.879 108.0 45.0 -59.9 -36.4 31.7 29.2 -6.3 6 6 A Y H <> S+ 0 0 29 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.887 110.6 53.2 -74.1 -37.7 33.5 28.3 -3.0 7 7 A L H X S+ 0 0 37 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.898 108.5 51.1 -61.4 -41.1 36.3 30.7 -3.6 8 8 A R H X S+ 0 0 150 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.895 111.7 45.6 -66.2 -40.3 33.8 33.5 -4.2 9 9 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.0 55.1 -68.1 -40.5 32.0 32.8 -0.9 10 10 A L H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.907 108.1 49.6 -56.3 -43.3 35.3 32.5 0.9 11 11 A R H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.904 108.3 52.4 -62.4 -40.6 36.2 36.0 -0.4 12 12 A X H X S+ 0 0 120 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.913 113.3 44.8 -61.6 -40.8 32.9 37.4 0.7 13 13 A I H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 3,-0.4 0.955 114.0 48.7 -65.6 -51.3 33.5 36.0 4.2 14 14 A Y H X S+ 0 0 34 -4,-3.0 4,-2.7 1,-0.2 3,-0.4 0.906 105.9 57.1 -55.4 -44.6 37.1 37.2 4.3 15 15 A D H < S+ 0 0 64 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.854 111.3 42.5 -62.4 -33.6 36.2 40.7 3.2 16 16 A R H < S+ 0 0 91 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.687 123.4 35.7 -83.7 -20.9 33.8 41.1 6.1 17 17 A L H >< S+ 0 0 2 -4,-1.5 3,-1.9 -3,-0.4 5,-0.3 0.675 92.2 85.8-101.1 -20.1 36.0 39.6 8.8 18 18 A X T 3< S+ 0 0 126 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.722 102.9 31.3 -62.1 -24.5 39.5 40.6 7.8 19 19 A N T 3 S+ 0 0 142 -4,-0.3 2,-0.3 -5,-0.2 -1,-0.3 0.122 102.4 95.3-118.7 21.0 39.3 43.9 9.6 20 20 A E S < S- 0 0 92 -3,-1.9 2,-2.1 2,-0.1 -3,-0.0 -0.857 83.7-112.7-110.0 148.9 37.1 42.9 12.5 21 21 A X S S+ 0 0 194 -2,-0.3 2,-0.4 2,-0.1 -3,-0.1 -0.530 70.9 129.0 -81.0 78.6 38.2 41.8 15.9 22 22 A V - 0 0 17 -2,-2.1 2,-0.8 -5,-0.3 -2,-0.1 -1.000 54.7-139.3-137.6 128.0 37.0 38.2 15.5 23 23 A N + 0 0 66 -2,-0.4 26,-0.6 2,-0.0 2,-0.3 -0.834 43.8 151.9 -88.6 110.9 38.9 35.0 16.1 24 24 A W E -A 48 0A 15 -2,-0.8 2,-0.3 24,-0.2 24,-0.2 -0.961 26.2-174.0-140.4 155.5 38.0 32.6 13.4 25 25 A V E -A 47 0A 0 22,-2.1 22,-2.7 -2,-0.3 2,-0.4 -0.990 28.4-121.5-143.0 146.2 39.4 29.7 11.4 26 26 A V E +Ab 46 127A 0 100,-2.7 102,-1.3 -2,-0.3 2,-0.2 -0.715 41.0 179.6 -79.3 137.4 38.1 27.8 8.4 27 27 A T E >> +A 45 0A 13 18,-2.3 18,-0.7 -2,-0.4 4,-0.7 -0.764 34.1 23.2-131.4 172.8 37.8 24.1 9.3 28 28 A G H >> S- 0 0 1 -2,-0.2 4,-2.3 1,-0.2 3,-0.5 -0.187 114.8 -8.1 68.1-153.7 36.7 20.9 7.7 29 29 A S H 3> S+ 0 0 24 1,-0.3 4,-2.6 13,-0.2 10,-0.2 0.826 133.5 48.6 -55.9 -40.3 36.7 20.2 4.0 30 30 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 13,-0.3 -1,-0.3 0.907 112.5 50.1 -68.4 -38.4 37.5 23.8 2.7 31 31 A S H S+ 0 0 10 -4,-2.3 5,-2.6 1,-0.2 3,-0.3 0.945 113.1 46.8 -60.8 -47.1 41.7 20.7 4.0 33 33 A A H ><5S+ 0 0 4 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.913 109.0 53.9 -62.5 -42.3 41.4 21.7 0.3 34 34 A L H 3<5S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.7 51.2 -58.5 -33.3 43.1 25.1 1.0 35 35 A Q T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.358 129.6 -94.7 -89.2 5.7 46.0 23.2 2.6 36 36 A G T < 5S+ 0 0 30 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.430 78.8 135.9 103.0 -1.1 46.3 20.9 -0.5 37 37 A V < - 0 0 2 -5,-2.6 2,-2.3 -6,-0.2 -1,-0.3 -0.720 55.9-131.8 -83.5 122.0 44.3 17.8 0.5 38 38 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.379 55.2 138.8 -78.8 68.5 42.2 16.8 -2.6 39 39 A V - 0 0 39 -2,-2.3 2,-0.2 -10,-0.2 -3,-0.1 -0.745 59.8-101.4-102.6 158.1 38.9 16.4 -0.8 40 40 A E - 0 0 65 -2,-0.3 2,-0.7 -38,-0.1 -7,-0.1 -0.568 35.0-129.1 -76.5 138.4 35.5 17.6 -2.2 41 41 A V + 0 0 23 -2,-0.2 2,-0.5 -11,-0.1 3,-0.1 -0.842 31.6 172.5 -97.2 117.6 34.3 20.8 -0.6 42 42 A H - 0 0 129 -2,-0.7 -13,-0.2 1,-0.2 -12,-0.1 -0.962 57.9 -29.0-125.8 109.7 30.8 20.6 0.7 43 43 A D S S- 0 0 47 -2,-0.5 2,-0.4 -14,-0.1 -13,-0.3 0.087 76.0 -92.2 73.5 173.8 29.7 23.6 2.7 44 44 A I E - c 0 90A 0 45,-2.6 47,-2.7 -3,-0.1 2,-0.5 -0.990 29.8-158.5-125.7 134.6 31.9 25.9 4.7 45 45 A D E -Ac 27 91A 43 -18,-0.7 -18,-2.3 -2,-0.4 2,-0.5 -0.952 6.2-171.5-115.0 125.4 32.7 25.5 8.4 46 46 A I E -Ac 26 92A 4 45,-3.0 47,-2.2 -2,-0.5 2,-0.4 -0.980 5.6-161.9-117.4 124.7 33.9 28.4 10.4 47 47 A Q E +Ac 25 93A 14 -22,-2.7 -22,-2.1 -2,-0.5 2,-0.2 -0.859 24.0 145.5-106.5 142.2 35.1 27.9 14.0 48 48 A T E -Ac 24 94A 0 45,-2.3 47,-2.6 -2,-0.4 48,-0.4 -0.756 45.6 -82.8-153.0-171.3 35.3 30.7 16.5 49 49 A D > - 0 0 43 -26,-0.6 4,-1.9 45,-0.3 -1,-0.0 -0.411 52.9 -89.3 -99.6-177.8 34.9 31.5 20.2 50 50 A E H > S+ 0 0 100 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.966 127.8 42.1 -60.9 -50.8 31.7 32.3 22.0 51 51 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 112.2 57.1 -62.7 -38.9 31.8 36.0 21.4 52 52 A G H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.837 98.9 58.3 -63.7 -34.7 32.9 35.5 17.8 53 53 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.4 -1,-0.2 0.934 110.4 42.3 -63.2 -45.0 30.0 33.3 16.9 54 54 A Y H X S+ 0 0 84 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.856 114.5 52.3 -69.8 -34.1 27.5 36.1 17.7 55 55 A E H X S+ 0 0 53 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.906 108.2 50.1 -65.9 -44.5 29.7 38.7 16.1 56 56 A I H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.936 109.0 52.5 -60.3 -44.1 29.9 36.7 12.9 57 57 A E H < S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.921 112.2 45.8 -56.5 -44.9 26.1 36.4 12.9 58 58 A R H >< S+ 0 0 133 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.937 111.8 50.5 -62.2 -46.8 25.9 40.2 13.2 59 59 A I H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 121.4 34.2 -63.8 -31.6 28.4 40.9 10.5 60 60 A F T >< S+ 0 0 2 -4,-2.2 3,-2.4 -5,-0.2 4,-0.4 -0.120 79.7 140.6-110.6 36.0 26.6 38.6 8.1 61 61 A S G X + 0 0 72 -3,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.778 65.1 55.4 -58.6 -36.0 23.2 39.4 9.3 62 62 A E G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 -4,-0.1 0.602 107.8 52.0 -73.2 -9.9 21.4 39.4 5.9 63 63 A F G < S+ 0 0 37 -3,-2.4 21,-2.4 -6,-0.2 -1,-0.2 0.393 77.8 129.7-102.7 0.8 22.7 35.9 5.2 64 64 A V E < +D 83 0A 41 -3,-1.2 19,-0.3 -4,-0.4 3,-0.1 -0.382 22.1 166.7 -66.9 126.9 21.5 34.2 8.4 65 65 A S E S+ 0 0 53 17,-2.4 2,-0.3 1,-0.3 18,-0.2 0.629 77.7 18.7-105.3 -26.7 19.5 31.0 7.9 66 66 A X E S-D 82 0A 73 16,-2.1 16,-2.6 3,-0.0 -1,-0.3 -0.940 85.4-122.4-147.4 120.9 19.6 29.9 11.5 67 67 A X E - 0 0 177 -2,-0.3 2,-0.2 14,-0.2 13,-0.1 -0.305 36.8 -98.1 -62.4 146.2 20.4 32.2 14.4 68 68 A V E + 0 0 13 -15,-0.1 2,-0.3 13,-0.1 13,-0.3 -0.447 54.6 160.0 -66.2 132.3 23.3 31.3 16.7 69 69 A R E -D 80 0A 186 11,-2.0 11,-2.5 -2,-0.2 2,-0.2 -0.986 50.8 -94.2-150.1 147.1 22.3 29.5 19.8 70 70 A F E +D 79 0A 108 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.515 55.3 179.8 -61.3 128.5 24.1 27.3 22.4 71 71 A S E -D 78 0A 45 7,-2.8 7,-1.9 -2,-0.2 2,-0.3 -1.000 8.6-175.9-142.7 133.2 23.3 23.8 21.0 72 72 A S E -D 77 0A 64 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.954 16.4-176.5-133.8 147.3 24.3 20.4 22.3 73 73 A T - 0 0 79 3,-2.5 -2,-0.0 -2,-0.3 0, 0.0 -0.540 55.6 -92.1-109.5-167.5 24.1 16.7 21.5 74 74 A E S S+ 0 0 137 -2,-0.2 3,-0.1 1,-0.1 29,-0.0 0.650 125.9 38.0 -74.9 -11.8 25.5 14.0 23.9 75 75 A X S S+ 0 0 200 1,-0.3 24,-2.5 23,-0.1 2,-0.3 0.713 121.5 16.4-115.5 -28.1 28.8 14.3 22.0 76 76 A I E - E 0 98A 40 22,-0.2 -3,-2.5 29,-0.0 2,-0.3 -0.998 54.2-173.5-151.3 146.1 29.4 17.9 21.0 77 77 A C E +DE 72 97A 6 20,-2.2 20,-2.5 -2,-0.3 2,-0.3 -0.982 15.8 142.6-141.5 157.0 28.3 21.4 21.9 78 78 A S E -D 71 0A 3 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.9 -0.967 59.7 -84.2-171.1 167.7 28.9 24.9 20.6 79 79 A H E -DE 70 94A 24 15,-2.5 15,-2.8 -2,-0.3 2,-0.4 -0.868 66.0-170.9 -86.7 103.3 27.3 28.3 20.0 80 80 A F E +DE 69 93A 39 -11,-2.5 -11,-2.0 -2,-0.9 2,-0.3 -0.895 21.6 145.4-116.7 129.1 26.0 27.2 16.6 81 81 A G E - E 0 92A 0 11,-2.0 11,-2.8 -2,-0.4 2,-0.3 -0.881 28.4-131.0-146.8-177.2 24.3 29.1 13.8 82 82 A E E -DE 66 91A 37 -16,-2.6 -17,-2.4 -2,-0.3 -16,-2.1 -0.996 10.3-169.6-144.5 141.2 24.1 29.0 10.0 83 83 A L E -DE 64 90A 2 7,-2.7 7,-2.8 -2,-0.3 2,-0.4 -0.887 12.4-150.5-116.2 157.1 24.4 31.4 7.0 84 84 A I E + E 0 89A 80 -21,-2.4 2,-0.5 -2,-0.3 5,-0.2 -0.989 18.3 179.9-125.4 119.3 23.5 30.8 3.4 85 85 A I E > S- E 0 88A 1 3,-2.6 3,-2.2 -2,-0.4 -76,-0.1 -0.984 72.5 -21.2-123.1 116.2 25.7 32.8 1.1 86 86 A D T 3 S- 0 0 93 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.875 128.3 -51.2 48.8 43.7 25.0 32.4 -2.7 87 87 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.435 113.8 119.4 80.4 -0.8 23.4 29.1 -2.0 88 88 A I E < - E 0 85A 14 -3,-2.2 -3,-2.6 -83,-0.1 2,-0.4 -0.848 62.6-127.9-104.2 130.6 26.3 27.8 0.0 89 89 A X E - E 0 84A 96 -2,-0.5 -45,-2.6 -5,-0.2 2,-0.5 -0.621 21.5-169.0 -76.7 131.1 25.8 26.7 3.6 90 90 A V E -cE 44 83A 1 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.4 -0.976 7.8-156.0-122.9 112.4 28.2 28.3 6.1 91 91 A E E -cE 45 82A 35 -47,-2.7 -45,-3.0 -2,-0.5 2,-0.5 -0.785 1.4-154.8 -92.9 133.9 28.1 26.8 9.6 92 92 A I E -cE 46 81A 2 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.4 -0.929 13.3-179.9-106.5 126.0 29.3 28.9 12.6 93 93 A M E -cE 47 80A 40 -47,-2.2 -45,-2.3 -2,-0.5 2,-0.5 -0.927 6.5-166.4-133.0 108.6 30.6 27.0 15.6 94 94 A G E -cE 48 79A 0 -15,-2.8 -15,-2.5 -2,-0.4 -45,-0.3 -0.826 68.4 -10.5-100.3 130.1 31.8 29.0 18.7 95 95 A D E S- 0 0 43 -47,-2.6 -1,-0.2 -2,-0.5 -46,-0.1 0.921 80.0-154.7 49.2 59.4 33.7 27.4 21.5 96 96 A I E - 0 0 19 -48,-0.4 13,-0.5 -3,-0.4 2,-0.4 -0.342 12.3-170.9 -59.2 134.8 33.2 23.8 20.4 97 97 A R E - E 0 77A 84 -20,-2.5 -20,-2.2 11,-0.1 2,-0.3 -0.995 9.6-150.4-131.2 127.7 33.5 21.2 23.2 98 98 A X E - E 0 76A 33 -2,-0.4 8,-2.5 -22,-0.2 -22,-0.2 -0.734 25.8-111.3 -91.8 144.3 33.6 17.5 22.7 99 99 A R B -G 105 0B 89 -24,-2.5 6,-0.2 -2,-0.3 2,-0.2 -0.539 31.7-139.3 -72.1 137.0 32.2 15.1 25.4 100 100 A L > - 0 0 77 4,-3.2 3,-2.1 -2,-0.2 -1,-0.1 -0.514 27.4 -99.3 -93.7 167.3 34.8 13.0 27.2 101 101 A E T 3 S+ 0 0 213 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.781 122.0 52.2 -57.9 -33.4 34.5 9.4 28.1 102 102 A D T 3 S- 0 0 123 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.314 122.3-102.8 -88.7 6.3 33.6 10.2 31.8 103 103 A G S < S+ 0 0 28 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.376 83.9 122.3 88.8 -2.9 30.8 12.5 30.7 104 104 A T - 0 0 68 -5,-0.1 -4,-3.2 1,-0.0 2,-0.4 -0.317 62.7-117.3 -76.9 170.7 32.7 15.8 31.3 105 105 A W B -G 99 0B 69 -6,-0.2 -6,-0.2 -3,-0.1 -29,-0.0 -0.936 23.5-121.9-110.5 135.9 33.2 18.3 28.5 106 106 A E - 0 0 30 -8,-2.5 3,-0.1 -2,-0.4 -6,-0.0 -0.328 36.0 -97.6 -66.8 156.9 36.6 19.2 27.3 107 107 A D - 0 0 126 1,-0.1 -9,-0.2 -10,-0.1 -1,-0.1 -0.439 49.1 -94.8 -66.3 148.2 37.7 22.8 27.5 108 108 A P - 0 0 47 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 -0.405 50.1 -98.6 -62.6 147.3 37.3 24.7 24.1 109 109 A V - 0 0 26 -13,-0.5 2,-1.0 1,-0.1 3,-0.1 -0.258 23.9-117.1 -62.6 148.4 40.4 24.8 22.1 110 110 A D >> - 0 0 100 1,-0.2 3,-1.0 -3,-0.1 4,-0.8 -0.809 29.5-160.3 -78.5 102.7 42.8 27.8 22.0 111 111 A L H >> S+ 0 0 12 -2,-1.0 3,-0.9 1,-0.3 4,-0.8 0.879 84.9 60.0 -59.6 -35.4 42.3 28.5 18.4 112 112 A N H 34 S+ 0 0 88 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.824 97.6 59.9 -64.0 -29.9 45.5 30.6 18.2 113 113 A X H <4 S+ 0 0 187 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.8 30.4 -63.2 -32.3 47.5 27.5 19.2 114 114 A Y H << S+ 0 0 65 -3,-0.9 15,-2.3 -4,-0.8 2,-0.2 0.315 95.9 113.9-114.4 7.0 46.4 25.5 16.2 115 115 A X E < +F 128 0A 63 -4,-0.8 2,-0.3 -3,-0.4 13,-0.2 -0.556 33.0 167.0 -82.7 142.5 45.9 28.3 13.7 116 116 A R E -F 127 0A 148 11,-2.5 11,-2.9 -2,-0.2 2,-0.4 -0.861 27.2-118.9-140.2 179.3 47.9 28.7 10.5 117 117 A F E -F 126 0A 86 -2,-0.3 2,-0.5 9,-0.2 7,-0.1 -0.967 13.1-163.2-130.1 135.7 47.5 30.9 7.4 118 118 A V E -F 125 0A 29 7,-2.5 7,-3.1 -2,-0.4 2,-0.6 -0.980 15.7-143.6-115.7 126.5 47.1 30.1 3.7 119 119 A E E +F 124 0A 128 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.797 33.7 156.7 -87.0 123.3 47.6 32.8 1.1 120 120 A T E > -F 123 0A 31 3,-2.5 3,-2.5 -2,-0.6 -2,-0.1 -0.964 63.4 -12.1-150.8 128.9 45.2 32.4 -1.8 121 121 A H T 3 S- 0 0 132 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.799 128.6 -51.0 53.7 36.6 43.9 35.0 -4.3 122 122 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.449 115.8 115.4 83.3 1.1 45.3 37.9 -2.3 123 123 A M E < - F 0 120A 1 -3,-2.5 -3,-2.5 2,-0.0 2,-0.8 -0.838 59.1-146.4-106.4 142.1 43.6 36.6 1.0 124 124 A X E - F 0 119A 136 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.866 28.9-165.0-103.3 95.8 45.4 35.5 4.1 125 125 A I E - F 0 118A 0 -7,-3.1 -7,-2.5 -2,-0.8 2,-0.4 -0.733 14.8-134.5 -94.3 127.9 43.0 32.8 5.3 126 126 A P E + F 0 117A 7 0, 0.0 -100,-2.7 0, 0.0 2,-0.3 -0.658 32.5 176.0 -78.5 132.3 43.1 31.3 8.8 127 127 A V E -bF 26 116A 0 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.3 -0.888 29.0-106.7-135.8 162.0 42.9 27.6 8.9 128 128 A L E - F 0 115A 0 -102,-1.3 -13,-0.2 -2,-0.3 5,-0.1 -0.698 43.4 -92.7 -95.3 138.6 43.1 24.8 11.5 129 129 A S > - 0 0 27 -15,-2.3 4,-2.2 -2,-0.3 5,-0.2 -0.211 25.8-142.2 -43.9 127.7 46.0 22.4 11.9 130 130 A L H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.871 102.9 53.9 -64.8 -37.4 45.5 19.2 9.9 131 131 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 108.2 50.2 -62.2 -42.9 47.1 17.2 12.7 132 132 A Y H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 112.3 46.1 -60.4 -47.5 44.6 18.7 15.2 133 133 A E H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.892 108.9 56.5 -64.8 -37.5 41.6 17.9 12.9 134 134 A Y H X S+ 0 0 37 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.953 110.5 43.5 -55.6 -51.4 43.0 14.4 12.4 135 135 A Q H X S+ 0 0 105 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.892 113.7 51.1 -64.5 -39.4 43.0 13.7 16.1 136 136 A A H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.919 107.4 53.6 -63.0 -42.5 39.6 15.4 16.6 137 137 A Y H X>S+ 0 0 13 -4,-2.9 5,-2.3 1,-0.2 4,-0.8 0.892 106.6 52.1 -60.0 -42.4 38.1 13.2 13.9 138 138 A L H ><5S+ 0 0 64 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.931 108.0 51.5 -57.8 -45.0 39.4 10.1 15.6 139 139 A X H 3<5S+ 0 0 105 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.5 45.3 -63.2 -31.0 37.8 11.1 18.9 140 140 A L H 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.516 114.9-113.6 -88.2 -7.9 34.5 11.7 17.0 141 141 A G T <<5S+ 0 0 53 -3,-1.0 2,-1.9 -4,-0.8 3,-0.3 0.646 70.6 139.7 79.9 16.9 34.6 8.4 15.1 142 142 A R >< + 0 0 114 -5,-2.3 4,-2.4 1,-0.2 -1,-0.2 -0.484 22.6 157.3 -85.9 67.7 35.0 10.1 11.7 143 143 A V H > + 0 0 69 -2,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.879 61.2 50.1 -74.7 -40.4 37.5 7.4 10.8 144 144 A E H > S+ 0 0 131 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.937 114.5 45.7 -61.9 -45.2 37.4 7.5 7.0 145 145 A X H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.925 114.2 49.6 -64.2 -40.9 37.8 11.3 7.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 111.0 49.1 -60.0 -45.8 40.6 11.0 9.6 147 147 A E H X S+ 0 0 124 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.850 107.6 54.8 -69.1 -30.4 42.3 8.2 7.5 148 148 A T H X S+ 0 0 52 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.941 112.2 43.4 -62.5 -46.1 42.1 10.3 4.4 149 149 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.927 114.3 51.2 -62.0 -45.6 43.9 13.1 6.1 150 150 A R H X S+ 0 0 49 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 108.5 50.0 -63.0 -41.6 46.4 10.7 7.7 151 151 A X H X S+ 0 0 172 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.929 112.5 47.6 -62.8 -44.5 47.3 9.1 4.4 152 152 A W H X S+ 0 0 55 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.931 113.5 47.6 -63.4 -44.0 47.8 12.5 2.7 153 153 A L H >X S+ 0 0 22 -4,-2.8 4,-1.9 1,-0.2 3,-0.8 0.900 111.3 50.7 -62.1 -42.2 50.0 13.7 5.7 154 154 A N H 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 106.5 56.1 -64.5 -35.1 52.0 10.4 5.6 155 155 A E H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.617 108.9 46.9 -75.4 -14.5 52.6 10.8 1.9 156 156 A R H << 0 0 95 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.1 0.923 360.0 360.0 -80.8 -63.9 54.1 14.3 2.4 157 157 A X < 0 0 127 -4,-1.9 -2,-0.1 0, 0.0 -3,-0.1 0.913 360.0 360.0 -44.1 360.0 56.5 13.4 5.3