==== 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 PHOSPHOTRANSFERASE 08-MAR-96 1PDO . COMPND 2 MOLECULE: MANNOSE PERMEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.S.NUNN,B.ERNI,T.SCHIRMER . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 1 0.8 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 . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 38.8 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+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 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 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 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 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 T 0 0 50 0, 0.0 58,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 174.4 13.4 10.4 40.8 2 3 A I - 0 0 4 102,-0.2 2,-0.2 57,-0.2 59,-0.2 -0.520 360.0-116.6 -71.2 136.2 13.2 12.7 37.7 3 4 A A E -a 61 0A 0 57,-2.3 59,-2.4 -2,-0.2 2,-0.4 -0.529 26.2-160.3 -78.0 144.4 16.5 12.7 35.9 4 5 A I E -ab 62 30A 0 25,-1.5 27,-2.5 57,-0.2 2,-0.4 -0.988 6.9-174.0-126.3 130.2 18.5 15.9 35.6 5 6 A V E -ab 63 31A 0 57,-2.3 59,-2.7 -2,-0.4 2,-0.5 -0.996 9.9-156.0-124.3 129.3 21.2 16.5 33.0 6 7 A I E +ab 64 32A 0 25,-2.4 27,-1.8 -2,-0.4 2,-0.4 -0.897 14.9 175.3-109.1 132.2 23.3 19.7 33.1 7 8 A G E +ab 65 33A 0 57,-2.1 59,-1.3 -2,-0.5 2,-0.3 -0.999 5.4 158.4-137.5 133.1 25.0 21.1 30.0 8 9 A T - 0 0 4 25,-0.8 2,-0.2 -2,-0.4 27,-0.2 -0.906 48.7 -90.5-141.7 163.8 27.0 24.3 29.4 9 10 A H S > S+ 0 0 75 -2,-0.3 3,-0.8 25,-0.1 27,-0.1 -0.555 101.1 2.4 -65.4 151.8 29.6 25.5 26.9 10 11 A G B 3 S-D 35 0B 17 25,-2.3 25,-1.8 1,-0.2 -2,-0.3 -0.431 118.2 -48.5 73.2-147.2 33.0 24.6 28.3 11 12 A W T 3> S+ 0 0 156 23,-0.2 4,-0.7 1,-0.1 -1,-0.2 -0.026 96.5 107.5-122.0 25.7 33.5 22.7 31.6 12 13 A A H <> + 0 0 46 -3,-0.8 4,-2.2 1,-0.2 5,-0.2 0.757 62.2 73.6 -79.0 -27.1 31.2 24.4 34.0 13 14 A A H > S+ 0 0 0 20,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 96.3 50.1 -54.8 -46.5 28.4 21.8 34.3 14 15 A E H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 112.9 47.5 -59.8 -40.4 30.5 19.4 36.4 15 16 A Q H X S+ 0 0 97 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.822 107.0 54.7 -70.2 -35.3 31.4 22.3 38.8 16 17 A L H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 46.8 -64.1 -40.0 27.8 23.6 39.1 17 18 A L H X S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.946 111.6 50.9 -65.1 -43.5 26.9 20.0 40.2 18 19 A K H X S+ 0 0 93 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.868 109.7 50.5 -61.5 -39.2 29.9 19.9 42.6 19 20 A T H X S+ 0 0 58 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.928 110.3 49.3 -63.9 -47.7 28.8 23.2 44.1 20 21 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.910 110.7 49.9 -57.7 -44.7 25.3 21.9 44.6 21 22 A E H X S+ 0 0 47 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.735 103.2 60.1 -68.0 -23.3 26.6 18.7 46.2 22 23 A M H < S+ 0 0 161 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.881 115.2 36.6 -70.5 -31.9 28.8 20.8 48.5 23 24 A L H < S+ 0 0 111 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.1 0.876 134.7 21.2 -84.8 -38.3 25.5 22.3 49.7 24 25 A L H < S- 0 0 56 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.549 105.5-108.0-109.6 -12.1 23.3 19.2 49.6 25 26 A G < - 0 0 35 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.242 65.5 -31.1 98.0 165.1 25.5 16.1 49.7 26 27 A E - 0 0 180 -2,-0.1 2,-0.3 -4,-0.1 -8,-0.0 -0.302 66.9-139.8 -58.8 139.0 26.1 13.8 46.7 27 28 A Q - 0 0 36 -10,-0.1 3,-0.3 3,-0.0 2,-0.3 -0.763 6.9-148.1-106.0 146.7 23.3 13.5 44.3 28 29 A E S S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.2 27,-0.0 -0.677 76.0 26.6-106.4 157.3 21.9 10.5 42.5 29 30 A N S S+ 0 0 29 -2,-0.3 -25,-1.5 1,-0.2 2,-0.4 0.832 87.8 124.2 59.1 41.3 20.3 10.4 39.0 30 31 A V E -b 4 0A 25 -3,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.993 34.2-179.6-131.1 134.5 22.2 13.5 37.7 31 32 A G E -b 5 0A 1 -27,-2.5 -25,-2.4 -2,-0.4 2,-0.3 -0.792 3.3-169.5-126.5 167.7 24.3 13.6 34.6 32 33 A W E -b 6 0A 71 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.982 4.7-160.5-156.2 157.8 26.4 16.3 32.8 33 34 A I E -b 7 0A 7 -27,-1.8 -25,-0.8 -2,-0.3 -20,-0.3 -0.951 10.9-138.8-136.8 159.2 28.2 17.0 29.6 34 35 A D - 0 0 41 -2,-0.3 2,-0.4 -27,-0.1 -23,-0.2 -0.758 9.0-145.6-113.4 162.8 30.9 19.4 28.4 35 36 A F B -D 10 0B 24 -25,-1.8 -25,-2.3 -2,-0.3 36,-0.0 -0.964 16.1-170.5-134.2 117.5 31.1 21.3 25.1 36 37 A V > - 0 0 46 -2,-0.4 3,-2.3 -27,-0.1 -2,-0.0 -0.815 36.3 -93.0-108.1 145.4 34.5 21.9 23.5 37 38 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.350 114.6 40.2 -57.1 136.1 35.3 24.1 20.5 38 39 A G T 3 S+ 0 0 86 1,-0.5 2,-0.1 -3,-0.0 -3,-0.0 -0.011 93.0 106.5 109.6 -25.8 35.2 21.9 17.4 39 40 A E < - 0 0 52 -3,-2.3 -1,-0.5 4,-0.0 2,-0.2 -0.456 52.5-159.0 -84.3 157.6 32.1 19.9 18.5 40 41 A N > - 0 0 77 -2,-0.1 4,-1.9 -3,-0.1 3,-0.3 -0.696 38.8 -86.9-125.0 179.3 28.7 20.4 17.0 41 42 A A H > S+ 0 0 12 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.833 124.6 58.0 -59.1 -35.1 25.1 19.7 18.1 42 43 A E H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 105.3 49.6 -64.8 -36.5 25.3 16.2 16.8 43 44 A T H > S+ 0 0 49 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.941 112.2 49.4 -63.9 -47.6 28.3 15.4 19.0 44 45 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.846 104.0 57.6 -62.7 -37.6 26.4 16.8 21.9 45 46 A I H X S+ 0 0 25 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.940 108.5 48.1 -58.5 -43.2 23.3 14.7 21.2 46 47 A E H X S+ 0 0 125 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.915 111.0 50.4 -62.6 -42.7 25.5 11.6 21.4 47 48 A K H X S+ 0 0 47 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.893 111.3 47.7 -61.6 -44.3 26.9 12.9 24.7 48 49 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.937 111.8 51.1 -61.0 -45.7 23.5 13.5 26.1 49 50 A N H X S+ 0 0 68 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.891 107.4 52.3 -60.1 -40.1 22.3 10.1 25.0 50 51 A A H < S+ 0 0 48 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.859 111.8 47.0 -64.5 -35.6 25.2 8.3 26.6 51 52 A Q H >< S+ 0 0 48 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.934 109.9 52.9 -70.2 -43.8 24.5 10.1 29.9 52 53 A L H >< S+ 0 0 16 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.877 97.1 66.4 -59.6 -37.9 20.7 9.3 29.6 53 54 A A T 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.748 104.7 46.1 -54.3 -26.3 21.5 5.6 29.2 54 55 A K T < S+ 0 0 145 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.2 0.450 103.8 81.3 -95.5 -4.8 22.8 5.6 32.8 55 56 A L S < S- 0 0 26 -3,-2.2 2,-0.9 -4,-0.3 -52,-0.1 -0.672 82.6-116.4-105.8 157.5 19.9 7.6 34.2 56 57 A D + 0 0 71 -2,-0.2 3,-0.2 1,-0.1 -53,-0.2 -0.859 39.4 168.3 -89.3 107.9 16.4 6.5 35.4 57 58 A T > + 0 0 46 -2,-0.9 3,-0.5 1,-0.1 -1,-0.1 0.163 40.3 109.5-107.1 15.4 14.3 8.5 32.9 58 59 A T T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -57,-0.1 3,-0.1 0.830 85.4 38.0 -63.9 -34.3 11.0 6.8 33.7 59 60 A K T 3 S- 0 0 94 -58,-0.4 -1,-0.2 1,-0.4 2,-0.2 0.511 127.5 -83.3 -91.8 -9.4 9.5 9.8 35.5 60 61 A G < - 0 0 2 -3,-0.5 -57,-2.3 -59,-0.2 2,-0.4 -0.657 35.5 -99.6 131.7 172.2 11.0 12.3 33.0 61 62 A V E -ac 3 86A 0 24,-2.7 26,-2.1 -2,-0.2 2,-0.5 -0.998 18.2-165.0-139.5 130.2 14.1 14.3 32.1 62 63 A L E -ac 4 87A 0 -59,-2.4 -57,-2.3 -2,-0.4 2,-0.6 -0.976 9.0-157.7-115.8 113.4 15.0 17.9 32.8 63 64 A F E -ac 5 88A 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.6 -0.886 6.3-163.4 -90.7 122.2 17.9 19.4 30.8 64 65 A L E +ac 6 89A 0 -59,-2.7 -57,-2.1 -2,-0.6 2,-0.3 -0.949 18.0 178.3-109.5 115.3 19.3 22.4 32.6 65 66 A V E -ac 7 90A 0 24,-2.7 27,-2.2 -2,-0.6 26,-0.5 -0.769 36.0-117.5-120.0 163.4 21.5 24.4 30.3 66 67 A D S S+ 0 0 38 -59,-1.3 25,-0.8 -2,-0.3 2,-0.3 0.959 85.0 2.7 -64.9 -54.1 23.5 27.6 30.4 67 68 A T S > S- 0 0 71 23,-0.2 3,-1.4 24,-0.1 6,-0.3 -0.982 73.5-101.1-142.2 151.5 21.9 29.9 27.8 68 69 A W T 3 S+ 0 0 201 -2,-0.3 21,-0.0 1,-0.2 -2,-0.0 -0.422 105.0 14.0 -66.4 134.5 19.0 30.0 25.4 69 70 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.396 91.3 123.1 84.7 -8.1 20.1 29.2 21.8 70 71 A G S <> S- 0 0 14 -3,-1.4 4,-3.3 1,-0.1 -1,-0.2 -0.319 79.2 -95.9 -79.2 174.9 23.6 27.9 22.4 71 72 A S H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.893 125.5 53.9 -57.2 -47.8 24.7 24.4 21.2 72 73 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.929 114.3 43.7 -53.5 -41.6 24.0 22.8 24.5 73 74 A F H > S+ 0 0 15 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.944 113.5 50.6 -67.3 -48.3 20.5 24.2 24.3 74 75 A N H X S+ 0 0 73 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.891 111.7 46.2 -60.1 -42.7 20.1 23.3 20.6 75 76 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.917 112.8 49.2 -66.4 -43.5 21.1 19.7 21.1 76 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 3,-0.4 0.897 107.4 57.9 -62.0 -38.8 18.9 19.2 24.2 77 78 A S H X S+ 0 0 33 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.836 102.2 53.5 -58.7 -39.8 16.0 20.8 22.2 78 79 A R H < S+ 0 0 122 -4,-1.4 -1,-0.2 -3,-0.2 4,-0.2 0.826 110.2 48.2 -67.3 -29.5 16.3 18.1 19.5 79 80 A I H < S+ 0 0 8 -4,-1.2 3,-0.4 -3,-0.4 -2,-0.2 0.905 113.3 43.9 -77.3 -42.1 16.1 15.3 22.1 80 81 A V H >< S+ 0 0 18 -4,-2.1 3,-2.3 1,-0.2 6,-0.2 0.714 82.4 109.2 -80.1 -16.8 13.0 16.6 24.0 81 82 A V T 3< S+ 0 0 95 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.626 95.5 8.4 -29.4 -55.9 11.0 17.5 20.9 82 83 A D T 3 S+ 0 0 145 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.3 -0.074 102.8 115.1-125.5 39.4 8.2 14.9 20.9 83 84 A K X - 0 0 96 -3,-2.3 3,-0.9 3,-0.1 2,-0.2 -0.921 61.8-130.5-112.4 133.6 9.0 13.3 24.2 84 85 A E T 3 S+ 0 0 159 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.549 92.3 15.6 -78.5 141.6 6.6 13.5 27.2 85 86 A H T 3 S+ 0 0 79 -2,-0.2 -24,-2.7 1,-0.2 2,-0.4 0.824 97.2 119.1 62.6 33.8 8.1 14.6 30.4 86 87 A Y E < +c 61 0A 47 -3,-0.9 2,-0.3 -26,-0.2 -1,-0.2 -0.999 34.6 164.9-127.5 131.0 11.2 16.0 28.7 87 88 A E E -c 62 0A 76 -26,-2.1 -24,-2.9 -2,-0.4 2,-0.4 -0.959 28.0-145.1-146.6 154.7 12.0 19.7 29.1 88 89 A V E -c 63 0A 11 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.996 15.2-172.4-121.8 128.5 14.9 22.1 28.6 89 90 A I E -c 64 0A 13 -26,-2.7 -24,-2.7 -2,-0.4 3,-0.3 -0.988 9.6-154.4-124.1 119.5 15.4 25.1 30.9 90 91 A A E +c 65 0A 26 -2,-0.5 -24,-0.2 -26,-0.2 -23,-0.2 -0.450 67.7 49.1 -84.4 163.3 18.0 27.7 30.1 91 92 A G S S- 0 0 40 -25,-0.8 -25,-0.2 -26,-0.5 -1,-0.2 0.713 71.0-168.6 81.7 24.6 19.8 30.0 32.6 92 93 A V + 0 0 18 -27,-2.2 2,-0.3 -3,-0.3 -1,-0.2 -0.121 13.5 166.2 -48.9 132.8 20.8 27.4 35.1 93 94 A N > - 0 0 35 1,-0.1 4,-2.4 -77,-0.0 5,-0.2 -0.874 49.8 -96.6-141.9 169.6 22.1 28.9 38.4 94 95 A I H > S+ 0 0 43 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.907 119.9 54.1 -60.2 -43.3 22.8 27.5 41.9 95 96 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.951 112.0 46.6 -57.6 -42.9 19.4 28.6 43.4 96 97 A M H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 114.4 46.9 -61.6 -48.9 17.6 26.7 40.6 97 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 114.6 45.6 -60.5 -48.0 19.8 23.6 41.0 98 99 A V H X S+ 0 0 22 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.930 116.1 44.0 -61.5 -49.8 19.5 23.5 44.8 99 100 A E H X S+ 0 0 77 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.910 115.7 49.0 -63.6 -40.6 15.7 24.1 45.0 100 101 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.917 112.0 47.1 -66.2 -46.2 15.1 21.6 42.1 101 102 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.883 113.2 50.3 -64.5 -37.8 17.3 18.9 43.6 102 103 A M H >< S+ 0 0 82 -4,-2.2 3,-0.7 -5,-0.2 4,-0.3 0.940 112.8 44.4 -66.1 -45.8 15.6 19.4 47.0 103 104 A A H >< S+ 0 0 22 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.826 99.5 72.3 -67.7 -33.8 12.1 19.2 45.7 104 105 A R H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.805 90.5 59.2 -52.6 -32.7 12.9 16.2 43.5 105 106 A D T << S+ 0 0 103 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.725 94.4 62.6 -73.6 -19.6 13.1 13.9 46.5 106 107 A D T < S- 0 0 143 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.221 113.2-118.6 -90.6 18.2 9.5 14.7 47.5 107 108 A D < - 0 0 98 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.885 43.7-176.4 46.8 58.5 8.4 13.1 44.3 108 109 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -106,-0.1 -0.210 32.7 -94.8 -74.1 168.4 6.7 16.1 42.6 109 110 A S > - 0 0 52 1,-0.1 4,-2.3 -107,-0.0 5,-0.2 -0.442 37.9-107.1 -77.1 162.8 4.9 15.8 39.2 110 111 A F H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 119.6 48.1 -55.9 -51.5 6.9 16.7 36.2 111 112 A D H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.821 110.3 53.3 -58.6 -37.8 5.0 20.0 35.6 112 113 A E H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 110.4 46.2 -62.7 -46.9 5.4 21.0 39.2 113 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.927 111.9 50.4 -64.3 -45.9 9.2 20.5 39.0 114 115 A V H X S+ 0 0 21 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.942 112.6 47.4 -56.9 -48.3 9.6 22.4 35.8 115 116 A A H X S+ 0 0 58 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.895 112.3 49.4 -59.9 -44.3 7.6 25.3 37.2 116 117 A L H X S+ 0 0 47 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.901 108.2 53.7 -62.3 -43.0 9.6 25.3 40.5 117 118 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.912 112.3 43.3 -60.2 -45.2 12.9 25.3 38.6 118 119 A V H X S+ 0 0 40 -4,-1.9 4,-2.1 -5,-0.2 5,-0.2 0.938 116.6 47.6 -65.6 -46.3 12.0 28.4 36.5 119 120 A E H X S+ 0 0 108 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 115.6 42.4 -63.7 -45.2 10.5 30.3 39.5 120 121 A T H X S+ 0 0 15 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.835 111.5 56.2 -71.5 -32.3 13.4 29.6 41.9 121 122 A G H < S+ 0 0 4 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.939 114.3 39.5 -62.4 -45.6 16.0 30.3 39.2 122 123 A R H >< S+ 0 0 196 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.897 115.1 50.1 -72.4 -42.0 14.5 33.8 38.6 123 124 A E H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 100.1 67.6 -70.5 -20.3 13.8 34.6 42.2 124 125 A G T 3< S+ 0 0 28 -4,-1.4 2,-0.8 -5,-0.2 -1,-0.3 0.623 81.0 85.7 -71.7 -16.7 17.4 33.6 43.0 125 126 A V < + 0 0 112 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.0 -0.796 61.0 142.3 -89.0 113.0 18.7 36.6 41.0 126 127 A K - 0 0 175 -2,-0.8 2,-0.3 0, 0.0 -3,-0.0 -0.988 43.5-133.8-156.4 136.9 18.6 39.5 43.5 127 128 A A - 0 0 89 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.655 13.1-139.7 -94.6 146.6 20.8 42.5 44.4 128 129 A L 0 0 169 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.984 360.0 360.0 -66.8 -58.9 21.8 43.4 47.9 129 130 A K 0 0 233 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.443 360.0 360.0 -85.5 360.0 21.4 47.2 47.7