==== 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 TRANSFERASE 16-JUN-05 2A0J . COMPND 2 MOLECULE: PTS SYSTEM, NITROGEN REGULATORY IIA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR J.REN,S.SAINSBURY,N.S.BERROW,D.ALDERTON,J.E.NETTLESHIP,D.K.S . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 7.5 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 34.2 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 1 0 0 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL 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 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 S >> 0 0 122 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -63.5 -15.4 2.7 4.8 2 3 A L H 3> + 0 0 46 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.599 360.0 78.0 -76.9 -10.1 -18.3 5.0 5.6 3 4 A I H 3> S+ 0 0 17 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.816 90.9 55.7 -66.2 -29.0 -17.2 7.1 2.6 4 5 A G H <4 S+ 0 0 17 -3,-0.9 3,-0.4 1,-0.2 -1,-0.2 0.895 106.1 45.6 -71.2 -42.8 -18.9 4.5 0.5 5 6 A E H < S+ 0 0 131 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.569 114.8 52.8 -77.5 -6.1 -22.3 4.7 2.0 6 7 A I H < S+ 0 0 14 -4,-0.7 71,-1.4 1,-0.2 -1,-0.2 0.631 105.8 53.6-101.2 -17.1 -21.9 8.5 1.9 7 8 A L < + 0 0 3 -4,-0.9 -1,-0.2 -3,-0.4 71,-0.1 -0.659 65.7 173.4-122.7 77.8 -21.1 8.7 -1.8 8 9 A P > - 0 0 47 0, 0.0 3,-1.9 0, 0.0 -3,-0.0 -0.336 48.7-106.1 -75.4 166.4 -23.6 7.0 -4.1 9 10 A L G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 129,-0.0 0.767 120.0 66.6 -63.2 -24.4 -23.3 7.4 -7.9 10 11 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.595 97.2 55.0 -71.5 -12.0 -26.3 9.8 -7.8 11 12 A H G < S+ 0 0 24 -3,-1.9 68,-2.2 21,-0.0 2,-0.4 0.134 91.7 91.4-107.0 18.2 -24.1 12.2 -5.8 12 13 A I E < -a 79 0A 18 -3,-1.3 2,-0.5 66,-0.2 68,-0.2 -0.961 51.5-170.6-119.8 130.1 -21.3 12.4 -8.4 13 14 A V E -a 80 0A 37 66,-2.5 68,-2.0 -2,-0.4 3,-0.2 -0.984 2.9-176.3-120.2 125.0 -21.1 14.9 -11.3 14 15 A L E S+ 0 0 45 -2,-0.5 -1,-0.1 66,-0.2 66,-0.1 0.724 76.2 22.5 -94.8 -24.8 -18.4 14.4 -13.9 15 16 A D E S+ 0 0 92 2,-0.0 2,-0.4 68,-0.0 67,-0.2 -0.332 71.3 170.9-144.2 60.0 -18.7 17.4 -16.3 16 17 A M E -a 82 0A 20 65,-1.8 67,-2.4 -3,-0.2 2,-1.0 -0.563 26.6-144.3 -79.0 127.6 -20.3 20.4 -14.6 17 18 A E + 0 0 144 -2,-0.4 2,-0.4 65,-0.2 -1,-0.1 -0.787 38.3 157.8 -90.4 101.7 -20.2 23.7 -16.4 18 19 A V - 0 0 17 -2,-1.0 66,-0.2 66,-0.2 3,-0.1 -0.991 30.2-172.0-133.4 137.2 -19.8 26.2 -13.7 19 20 A G + 0 0 73 -2,-0.4 68,-0.3 1,-0.1 2,-0.3 0.826 67.9 31.3 -94.9 -37.7 -18.5 29.8 -13.7 20 21 A S > - 0 0 54 66,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.834 68.5-123.2-125.6 164.3 -18.2 30.9 -10.1 21 22 A K H > S+ 0 0 27 66,-0.3 4,-1.9 -2,-0.3 5,-0.1 0.769 117.6 55.9 -68.9 -28.7 -17.5 29.4 -6.6 22 23 A K H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 108.5 47.1 -68.5 -42.9 -20.9 30.9 -5.6 23 24 A R H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.939 110.0 52.3 -63.6 -49.4 -22.5 28.9 -8.5 24 25 A L H X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.889 110.2 49.2 -54.6 -42.7 -20.7 25.7 -7.5 25 26 A F H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.841 107.7 53.9 -69.3 -33.2 -21.9 26.1 -4.0 26 27 A E H X S+ 0 0 80 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.939 108.0 49.7 -66.0 -44.3 -25.5 26.6 -5.1 27 28 A E H X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.807 107.6 56.0 -62.7 -30.4 -25.4 23.4 -7.1 28 29 A A H X S+ 0 0 4 -4,-1.3 4,-2.4 -5,-0.2 5,-0.3 0.918 100.9 56.0 -69.1 -43.3 -24.1 21.6 -4.1 29 30 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.890 107.8 51.2 -54.7 -38.7 -27.0 22.7 -1.9 30 31 A L H < S+ 0 0 75 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.904 108.8 49.4 -65.3 -43.4 -29.2 21.1 -4.5 31 32 A L H < S+ 0 0 40 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 120.4 35.5 -64.7 -40.2 -27.3 17.8 -4.5 32 33 A L H < S+ 0 0 1 -4,-2.4 4,-0.3 -5,-0.1 6,-0.3 0.522 91.4 131.0 -92.6 -6.3 -27.4 17.5 -0.7 33 34 A E S < S- 0 0 71 -4,-1.1 2,-3.3 -5,-0.3 6,-0.2 -0.112 78.8 -16.3 -52.4 140.2 -30.9 19.0 -0.3 34 35 A R S > S+ 0 0 205 4,-3.7 3,-2.1 1,-0.2 -1,-0.2 -0.071 116.7 82.5 57.2 -41.0 -33.5 17.3 1.8 35 36 A E T 3 S+ 0 0 88 -2,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.534 101.1 45.4 -67.2 1.7 -31.7 13.9 1.9 36 37 A S T 3 S- 0 0 3 2,-0.3 -1,-0.3 -4,-0.3 37,-0.1 0.347 123.3-111.8-118.1 -3.8 -30.0 15.9 4.7 37 38 A S S < S+ 0 0 89 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.438 86.3 104.5 83.7 3.0 -33.3 17.2 6.1 38 39 A L S S- 0 0 17 -6,-0.3 -4,-3.7 -9,-0.1 -2,-0.3 -0.844 74.1-114.4-118.1 153.0 -32.4 20.8 5.0 39 40 A S >> - 0 0 52 -2,-0.3 4,-2.2 -6,-0.2 3,-0.5 -0.401 38.2-107.4 -75.1 158.8 -33.6 23.0 2.1 40 41 A H H 3> S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.833 122.0 58.4 -60.6 -26.1 -31.0 23.8 -0.5 41 42 A A H 3> S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.6 43.9 -67.3 -40.2 -30.9 27.3 0.9 42 43 A D H <> S+ 0 0 80 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.857 111.5 52.3 -73.4 -35.7 -29.9 26.0 4.4 43 44 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.894 110.5 51.0 -65.4 -38.8 -27.4 23.5 2.9 44 45 A F H X S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.950 109.2 48.0 -62.2 -53.2 -25.8 26.5 1.0 45 46 A E H X S+ 0 0 112 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.866 109.2 55.6 -57.7 -37.4 -25.6 28.7 4.1 46 47 A C H X S+ 0 0 15 -4,-1.9 4,-0.7 2,-0.2 22,-0.3 0.919 111.4 41.4 -63.5 -44.6 -24.0 25.9 6.0 47 48 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.883 118.0 47.6 -70.1 -38.2 -21.2 25.4 3.5 48 49 A F H X S+ 0 0 54 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.725 99.7 65.5 -75.5 -25.0 -20.7 29.1 3.0 49 50 A A H < S+ 0 0 57 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.843 111.9 38.3 -65.4 -29.8 -20.6 29.8 6.8 50 51 A R H >X S+ 0 0 80 -4,-0.7 3,-1.5 -3,-0.3 4,-0.6 0.879 110.0 56.0 -85.3 -45.0 -17.4 27.8 6.8 51 52 A E H >< S+ 0 0 14 -4,-1.9 3,-0.9 1,-0.3 -2,-0.2 0.785 98.3 68.9 -58.5 -26.8 -15.9 29.0 3.4 52 53 A K T 3< S+ 0 0 143 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.859 92.9 55.7 -59.9 -37.6 -16.3 32.4 5.0 53 54 A L T <4 S- 0 0 144 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.719 131.0 -57.8 -69.4 -21.2 -13.6 31.5 7.5 54 55 A G S << S- 0 0 30 -3,-0.9 -1,-0.3 -4,-0.6 36,-0.1 -0.617 71.4 -52.3 149.6 151.7 -11.3 30.7 4.6 55 56 A S - 0 0 32 34,-0.3 34,-0.1 -2,-0.2 -3,-0.0 -0.117 32.0-152.6 -49.3 133.1 -10.8 28.6 1.4 56 57 A T + 0 0 7 32,-0.1 8,-2.2 34,-0.0 2,-0.3 0.169 56.1 128.3 -92.9 16.2 -11.3 24.9 1.9 57 58 A G B -B 63 0A 6 31,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.559 48.0-160.6 -73.9 135.3 -9.0 24.4 -1.0 58 59 A L - 0 0 74 4,-1.4 5,-0.2 -2,-0.3 -1,-0.1 0.552 48.8-100.3 -92.8 -9.6 -6.2 22.0 -0.2 59 60 A G S S+ 0 0 5 3,-1.1 3,-0.5 35,-0.1 -1,-0.2 -0.036 95.3 63.9 102.2 149.3 -4.0 23.2 -3.1 60 61 A Q S S- 0 0 98 1,-0.2 3,-0.1 -3,-0.1 36,-0.1 0.890 127.1 -52.8 69.9 44.8 -3.4 21.7 -6.5 61 62 A G S S+ 0 0 16 33,-0.3 37,-2.4 34,-0.3 36,-2.1 0.530 112.2 112.3 72.5 6.6 -6.9 21.9 -8.0 62 63 A V E + c 0 98A 1 -3,-0.5 -4,-1.4 34,-0.2 -3,-1.1 -0.790 36.4 169.0-112.7 155.6 -8.5 20.1 -5.1 63 64 A A E -Bc 57 99A 0 35,-1.3 37,-2.0 -6,-0.3 -6,-0.3 -0.983 23.6-154.9-158.6 157.8 -10.9 21.3 -2.3 64 65 A I - 0 0 17 -8,-2.2 37,-0.2 -2,-0.3 35,-0.1 -0.564 15.9-171.1-138.5 71.6 -13.1 20.0 0.4 65 66 A P + 0 0 2 0, 0.0 37,-1.9 0, 0.0 2,-0.3 -0.390 20.8 166.4 -63.5 140.9 -16.0 22.3 1.3 66 67 A H E +d 102 0A 18 -19,-0.3 2,-0.3 35,-0.2 37,-0.2 -0.987 18.4 179.5-154.3 164.0 -17.9 21.1 4.4 67 68 A G E -d 103 0A 7 35,-1.9 37,-2.5 -2,-0.3 2,-0.3 -0.990 15.3-140.0-164.0 156.5 -20.4 22.1 7.1 68 69 A R E +d 104 0A 95 -2,-0.3 2,-0.3 -22,-0.3 38,-0.1 -0.814 19.2 173.7-119.3 159.7 -22.2 20.9 10.2 69 70 A H E > -d 105 0A 76 35,-1.3 3,-2.5 -2,-0.3 37,-0.5 -0.874 39.8-127.4-169.1 134.9 -25.8 21.4 11.4 70 71 A A T 3 S+ 0 0 56 1,-0.3 -1,-0.1 -2,-0.3 36,-0.0 0.766 109.7 62.3 -51.9 -28.9 -28.1 20.2 14.1 71 72 A G T 3 S+ 0 0 27 -3,-0.1 2,-0.5 34,-0.1 -1,-0.3 0.610 86.0 85.5 -75.5 -12.8 -30.6 19.2 11.5 72 73 A V < + 0 0 1 -3,-2.5 34,-0.5 32,-0.2 -3,-0.2 -0.806 46.6 172.2 -93.6 125.2 -28.3 16.6 9.9 73 74 A K + 0 0 155 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.518 68.0 36.4-108.2 -10.0 -28.4 13.2 11.5 74 75 A Q S S- 0 0 133 -38,-0.1 -1,-0.3 29,-0.0 29,-0.1 -0.985 88.6-107.5-146.2 132.4 -26.3 11.3 9.0 75 76 A A - 0 0 23 -2,-0.4 2,-0.3 -3,-0.1 29,-0.2 -0.197 39.4-178.9 -56.4 146.4 -23.2 12.4 7.1 76 77 A T E + E 0 103A 5 27,-2.1 27,-3.2 -69,-0.0 2,-0.3 -0.991 2.6 175.5-148.2 148.7 -23.7 13.0 3.4 77 78 A G E - E 0 102A 0 -71,-1.4 2,-0.3 -2,-0.3 25,-0.2 -0.864 13.0-159.4-145.8-179.7 -21.3 14.0 0.6 78 79 A A E - E 0 101A 0 23,-1.7 23,-2.0 -2,-0.3 2,-0.4 -0.974 12.1-139.1-158.1 162.1 -20.9 14.6 -3.1 79 80 A F E -aE 12 100A 0 -68,-2.2 -66,-2.5 -2,-0.3 2,-0.4 -0.998 15.1-168.1-133.6 134.7 -18.1 14.8 -5.7 80 81 A I E -aE 13 99A 0 19,-2.9 19,-2.9 -2,-0.4 2,-0.6 -0.983 11.0-168.2-128.9 132.0 -17.8 17.3 -8.6 81 82 A R E - E 0 98A 32 -68,-2.0 -65,-1.8 -2,-0.4 17,-0.2 -0.970 24.4-143.2-115.3 113.6 -15.5 17.4 -11.6 82 83 A T E -a 16 0A 7 15,-1.8 -65,-0.2 -2,-0.6 4,-0.0 -0.476 12.7-137.5 -80.0 147.2 -15.6 20.8 -13.3 83 84 A R E S+ 0 0 118 -67,-2.4 -66,-0.1 1,-0.2 -1,-0.1 0.877 97.1 19.4 -67.8 -36.2 -15.4 21.2 -17.1 84 85 A E E S- 0 0 130 -68,-0.5 -66,-0.2 -66,-0.2 -1,-0.2 -0.947 99.6 -93.2-131.5 149.7 -13.1 24.1 -16.5 85 86 A P E - 0 0 74 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.255 39.2-142.1 -61.9 153.3 -11.1 25.1 -13.4 86 87 A V E - E 0 96A 3 10,-2.0 10,-2.9 -25,-0.1 2,-0.5 -0.970 19.0-112.2-123.7 133.3 -12.7 27.4 -10.9 87 88 A G + 0 0 56 -2,-0.4 -66,-0.3 -68,-0.3 7,-0.1 -0.490 41.4 170.3 -62.3 112.3 -11.1 30.2 -8.9 88 89 A F - 0 0 1 -2,-0.5 -31,-0.3 6,-0.2 -1,-0.2 0.272 50.1-116.3-110.6 7.9 -11.4 28.9 -5.4 89 90 A D - 0 0 125 1,-0.1 -34,-0.3 4,-0.1 -32,-0.1 0.812 55.6-175.4 59.4 27.9 -9.2 31.4 -3.6 90 91 A A > - 0 0 12 4,-0.3 3,-1.1 1,-0.1 -1,-0.1 -0.010 38.2-106.5 -55.2 158.9 -7.0 28.3 -2.9 91 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.654 118.4 39.5 -62.0 -21.8 -3.9 28.4 -0.7 92 93 A D T 3 S- 0 0 59 2,-0.2 -2,-0.1 3,-0.0 -34,-0.0 0.361 111.8-111.2-111.9 4.6 -1.5 28.1 -3.7 93 94 A G S < S+ 0 0 70 -3,-1.1 -4,-0.1 1,-0.3 -3,-0.0 0.344 76.8 122.9 86.0 -8.3 -3.3 30.4 -6.1 94 95 A K - 0 0 115 1,-0.1 -4,-0.3 -6,-0.1 -33,-0.3 -0.691 62.4-116.9 -91.6 142.4 -4.3 27.7 -8.6 95 96 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -34,-0.3 -0.140 31.8-117.0 -67.3 168.3 -8.0 27.2 -9.5 96 97 A V E + E 0 86A 0 -10,-2.9 -10,-2.0 1,-0.1 -34,-0.2 -0.887 33.9 168.7-118.5 146.1 -9.8 23.9 -8.7 97 98 A S E S+ 0 0 12 -36,-2.1 -15,-1.8 -2,-0.4 2,-0.6 0.457 70.4 66.5-124.9 -10.5 -11.4 21.1 -10.7 98 99 A L E +cE 62 81A 4 -37,-2.4 -35,-1.3 -17,-0.2 2,-0.5 -0.938 61.3 177.8-120.4 110.6 -12.0 18.4 -8.1 99 100 A I E -cE 63 80A 2 -19,-2.9 -19,-2.9 -2,-0.6 2,-0.6 -0.942 11.7-175.0-120.2 121.1 -14.5 19.2 -5.4 100 101 A F E - E 0 79A 2 -37,-2.0 2,-0.4 -2,-0.5 -21,-0.2 -0.949 13.1-163.6-112.1 116.9 -15.6 16.9 -2.5 101 102 A I E - E 0 78A 3 -23,-2.0 -23,-1.7 -2,-0.6 2,-0.4 -0.835 4.9-170.8-103.3 138.8 -18.4 18.3 -0.3 102 103 A L E -dE 66 77A 8 -37,-1.9 -35,-1.9 -2,-0.4 2,-0.5 -0.989 10.1-170.7-133.8 127.6 -19.3 16.9 3.1 103 104 A L E -dE 67 76A 0 -27,-3.2 -27,-2.1 -2,-0.4 -35,-0.2 -0.966 18.5-174.5-114.8 119.2 -22.3 17.7 5.3 104 105 A V E -d 68 0A 2 -37,-2.5 -35,-1.3 -2,-0.5 -32,-0.2 -0.845 25.6-112.8-119.7 151.1 -22.0 16.3 8.9 105 106 A P E -d 69 0A 6 0, 0.0 2,-1.2 0, 0.0 -35,-0.2 -0.287 38.4-107.2 -69.4 165.0 -24.3 16.1 11.9 106 107 A E S S+ 0 0 135 -34,-0.5 -38,-0.0 -37,-0.5 -36,-0.0 -0.682 97.4 59.5 -95.9 82.8 -23.3 18.0 15.0 107 108 A N S S+ 0 0 100 -2,-1.2 2,-0.8 0, 0.0 3,-0.2 0.257 88.1 48.8-163.1 -61.5 -22.2 15.2 17.3 108 109 A A >> + 0 0 38 1,-0.2 4,-1.1 -3,-0.1 3,-0.7 -0.441 59.2 158.2 -99.1 60.5 -19.4 12.8 16.4 109 110 A T H >> + 0 0 64 -2,-0.8 4,-1.9 1,-0.2 3,-1.3 0.898 66.5 58.2 -46.8 -57.8 -16.8 15.3 15.4 110 111 A G H 3> S+ 0 0 37 1,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.844 104.3 52.1 -44.3 -43.9 -13.7 13.2 15.9 111 112 A E H <> S+ 0 0 105 -3,-0.7 4,-1.1 1,-0.2 -1,-0.3 0.840 108.3 53.0 -63.9 -32.9 -15.0 10.6 13.5 112 113 A H H < S+ 0 0 33 -4,-1.5 3,-0.8 -3,-0.3 4,-0.4 0.945 106.9 46.0 -60.7 -49.9 -4.3 12.1 2.1 122 123 A K H >< S+ 0 0 60 -4,-1.8 3,-1.4 1,-0.2 6,-0.2 0.904 111.8 52.3 -59.3 -43.8 -5.6 10.7 -1.2 123 124 A F H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.650 96.4 67.4 -68.9 -17.4 -5.7 14.2 -2.8 124 125 A S T << S+ 0 0 79 -4,-1.1 2,-0.6 -3,-0.8 -1,-0.3 0.608 84.3 90.8 -78.7 -9.8 -2.1 14.9 -1.8 125 126 A Q <> - 0 0 99 -3,-1.4 4,-1.9 -4,-0.4 3,-0.5 -0.779 69.6-149.6 -93.0 122.6 -1.0 12.1 -4.3 126 127 A K H > S+ 0 0 129 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.888 96.2 51.0 -55.1 -46.6 -0.3 13.3 -7.8 127 128 A S H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.811 108.6 52.3 -65.0 -30.7 -1.3 10.0 -9.5 128 129 A I H > S+ 0 0 21 -3,-0.5 4,-2.2 -6,-0.2 -1,-0.2 0.908 111.5 45.7 -71.5 -41.5 -4.7 10.0 -7.6 129 130 A R H X S+ 0 0 33 -4,-1.9 4,-0.9 -7,-0.2 -2,-0.2 0.875 111.3 53.9 -67.2 -37.2 -5.5 13.5 -8.7 130 131 A E H X S+ 0 0 99 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.881 109.7 47.2 -64.4 -39.1 -4.4 12.6 -12.3 131 132 A S H >X S+ 0 0 49 -4,-1.7 4,-2.7 1,-0.2 3,-1.7 0.934 107.7 54.7 -67.2 -47.6 -6.8 9.6 -12.3 132 133 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 107.7 53.6 -59.0 -20.9 -9.7 11.6 -11.0 133 134 A M H 3< S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.617 119.2 29.5 -89.5 -14.2 -9.1 14.0 -13.8 134 135 A T H << S+ 0 0 107 -3,-1.7 -2,-0.2 -4,-0.5 -3,-0.1 0.746 82.9 110.9-116.5 -31.6 -9.3 11.4 -16.6 135 136 A V < - 0 0 19 -4,-2.7 6,-0.0 1,-0.1 -4,-0.0 -0.105 53.4-149.5 -48.5 141.8 -11.6 8.5 -15.6 136 137 A S + 0 0 101 2,-0.0 2,-0.2 4,-0.0 -1,-0.1 0.828 68.8 56.0 -86.8 -35.7 -14.8 8.3 -17.7 137 138 A S S > S- 0 0 32 1,-0.1 4,-1.1 -123,-0.0 3,-0.0 -0.633 72.6-130.4-102.9 160.8 -17.3 6.8 -15.3 138 139 A A H > S+ 0 0 12 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.783 108.4 64.1 -73.4 -29.9 -18.5 7.7 -11.8 139 140 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 100.9 50.6 -61.4 -40.3 -17.9 4.1 -10.7 140 141 A E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 107.5 54.4 -63.4 -40.7 -14.2 4.7 -11.4 141 142 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.933 110.7 45.0 -58.1 -46.4 -14.4 7.8 -9.3 142 143 A R H X S+ 0 0 78 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.926 110.0 54.5 -62.9 -46.4 -15.9 5.9 -6.4 143 144 A A H < S+ 0 0 72 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.894 112.9 43.6 -55.1 -43.0 -13.4 3.0 -6.7 144 145 A I H < S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.945 112.3 51.0 -69.5 -47.6 -10.6 5.6 -6.5 145 146 A L H < 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.610 360.0 360.0 -67.3 -10.0 -12.1 7.5 -3.6 146 147 A T < 0 0 89 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.432 360.0 360.0-120.1 360.0 -12.6 4.3 -1.7