==== 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 TRANSPORT PROTEIN 04-MAR-08 3CFX . COMPND 2 MOLECULE: UPF0100 PROTEIN MA_0280; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR M.COMELLAS-BIGLER,K.HOLLENSTEIN,K.P.LOCHER . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 10.4 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 . 4 0.7 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 . 34 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.4 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 2 5 3 2 0 4 0 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 0 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 PARALLEL BRIDGES PER LADDER . 0 0 6 7 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 2 2 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 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 40 A G 0 0 120 0, 0.0 2,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 141.7 37.3 -19.3 -50.9 2 41 A E - 0 0 110 27,-0.2 29,-2.1 2,-0.0 2,-0.4 -0.517 360.0-157.1 -82.0 148.3 34.3 -18.2 -48.8 3 42 A V E -a 31 0A 52 27,-0.2 2,-0.6 -2,-0.2 29,-0.2 -0.987 8.7-157.2-129.0 134.4 34.0 -19.1 -45.1 4 43 A L E -a 32 0A 0 27,-1.9 29,-3.0 -2,-0.4 2,-0.6 -0.949 15.4-154.4-110.3 111.8 30.9 -19.4 -42.9 5 44 A T E -a 33 0A 29 -2,-0.6 49,-3.0 27,-0.2 50,-1.5 -0.791 12.4-172.3 -92.0 120.2 31.8 -19.0 -39.3 6 45 A V E -ab 34 55A 0 27,-2.1 29,-2.4 -2,-0.6 2,-0.5 -0.952 10.3-165.1-117.8 121.7 29.4 -20.7 -36.9 7 46 A F E +ab 35 56A 2 48,-2.9 50,-2.3 -2,-0.5 2,-0.3 -0.909 25.3 170.5-101.9 126.5 29.5 -20.3 -33.1 8 47 A H E -ab 36 57A 0 27,-2.3 29,-1.6 -2,-0.5 50,-0.2 -0.978 37.8 -94.6-144.1 155.7 27.3 -22.9 -31.3 9 48 A A > - 0 0 0 48,-1.6 3,-1.3 -2,-0.3 4,-0.2 -0.188 42.2-114.8 -55.5 150.1 26.4 -24.4 -28.0 10 49 A G G > S+ 0 0 0 27,-0.4 3,-1.9 1,-0.3 4,-0.2 0.882 114.1 60.0 -58.2 -39.7 28.4 -27.5 -27.1 11 50 A S G 3 S+ 0 0 1 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.670 97.5 61.2 -65.1 -15.8 25.2 -29.7 -27.2 12 51 A L G <> S+ 0 0 0 -3,-1.3 4,-3.0 1,-0.2 5,-0.3 0.490 74.7 101.6 -88.0 -3.1 24.8 -28.8 -30.9 13 52 A S H <> S+ 0 0 35 -3,-1.9 4,-1.6 -4,-0.2 -1,-0.2 0.884 81.9 42.2 -48.6 -52.7 28.1 -30.3 -31.9 14 53 A V H > S+ 0 0 42 -3,-0.3 4,-1.6 -4,-0.2 3,-0.3 0.974 119.8 40.6 -65.0 -54.4 26.8 -33.6 -33.3 15 54 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.889 116.2 51.2 -63.2 -34.5 23.8 -32.2 -35.3 16 55 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.805 103.0 59.1 -71.6 -26.3 25.7 -29.1 -36.4 17 56 A E H X S+ 0 0 116 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.914 108.0 47.0 -65.0 -40.8 28.5 -31.4 -37.7 18 57 A E H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.862 110.9 50.9 -68.0 -37.5 25.9 -33.0 -39.9 19 58 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.909 109.1 51.4 -66.5 -40.7 24.6 -29.6 -41.0 20 59 A E H X S+ 0 0 37 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 111.1 48.5 -59.8 -46.1 28.1 -28.5 -41.9 21 60 A A H X S+ 0 0 59 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.933 115.0 43.3 -60.2 -48.0 28.6 -31.6 -44.0 22 61 A E H X S+ 0 0 78 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.881 114.8 49.8 -67.4 -38.6 25.3 -31.2 -45.8 23 62 A F H X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.899 110.8 49.2 -66.3 -42.5 25.8 -27.5 -46.4 24 63 A E H < S+ 0 0 56 -4,-2.6 6,-0.2 -5,-0.2 -1,-0.2 0.832 109.5 52.9 -66.9 -30.8 29.3 -28.0 -47.7 25 64 A A H < S+ 0 0 71 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.858 113.0 43.8 -71.3 -34.7 28.0 -30.7 -50.1 26 65 A Q H < S+ 0 0 95 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.648 120.6 43.1 -83.2 -16.9 25.4 -28.2 -51.4 27 66 A H S >< S- 0 0 33 -4,-1.3 3,-1.9 3,-0.1 -1,-0.2 -0.661 81.0-158.9-131.3 77.9 27.9 -25.4 -51.6 28 67 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.244 79.5 23.1 -55.4 139.7 31.2 -26.7 -53.1 29 68 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -5,-0.1 -27,-0.2 0.126 96.1 112.2 90.6 -23.8 34.2 -24.5 -52.2 30 69 A V < - 0 0 17 -3,-1.9 2,-0.6 -6,-0.2 -1,-0.3 -0.719 54.9-153.6 -87.3 132.6 32.5 -23.0 -49.1 31 70 A D E -a 3 0A 65 -29,-2.1 -27,-1.9 -2,-0.4 2,-0.6 -0.912 1.4-154.5-110.6 109.7 34.0 -24.0 -45.8 32 71 A V E -a 4 0A 0 -2,-0.6 2,-0.6 -29,-0.2 -27,-0.2 -0.737 14.2-163.8 -80.4 122.1 31.7 -24.0 -42.8 33 72 A Q E -a 5 0A 83 -29,-3.0 -27,-2.1 -2,-0.6 2,-0.2 -0.910 4.6-161.4-115.8 107.1 34.0 -23.4 -39.8 34 73 A R E -a 6 0A 70 -2,-0.6 2,-0.4 -29,-0.2 -27,-0.2 -0.587 10.9-172.8 -90.8 146.6 32.4 -24.3 -36.4 35 74 A E E -a 7 0A 88 -29,-2.4 -27,-2.3 -2,-0.2 2,-0.3 -0.982 12.6-155.7-136.8 121.9 33.5 -23.2 -33.0 36 75 A A E +a 8 0A 40 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.744 25.4 141.5-103.7 149.2 31.8 -24.6 -29.8 37 76 A A - 0 0 15 -29,-1.6 -27,-0.4 -2,-0.3 5,-0.1 -0.939 61.8 -68.2-170.3 159.7 31.5 -23.2 -26.3 38 77 A G > - 0 0 0 -2,-0.3 4,-2.5 -29,-0.2 3,-0.5 -0.358 59.6-110.5 -54.6 143.4 28.9 -23.0 -23.6 39 78 A S H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 83,-0.2 0.810 116.2 49.3 -51.2 -42.2 26.1 -20.8 -25.0 40 79 A A H > S+ 0 0 0 81,-1.0 4,-2.4 1,-0.2 -1,-0.3 0.920 115.6 45.2 -64.6 -40.8 26.7 -17.8 -22.7 41 80 A Q H > S+ 0 0 48 80,-1.9 4,-1.5 -3,-0.5 -2,-0.2 0.846 109.4 55.6 -69.0 -34.2 30.4 -17.9 -23.5 42 81 A S H X S+ 0 0 0 -4,-2.5 4,-0.8 79,-0.4 -2,-0.2 0.927 110.7 45.7 -64.1 -41.7 29.6 -18.4 -27.2 43 82 A V H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-1.0 0.927 109.6 53.6 -66.4 -44.4 27.6 -15.2 -27.0 44 83 A R H 3X>S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.3 5,-2.2 0.771 95.5 67.6 -63.6 -24.8 30.2 -13.3 -25.1 45 84 A K H 3<5S+ 0 0 27 -4,-1.5 6,-2.7 3,-0.2 -1,-0.3 0.921 113.9 32.6 -58.7 -37.4 32.8 -14.2 -27.7 46 85 A I H <<5S+ 0 0 1 -3,-1.0 4,-0.4 -4,-0.8 -2,-0.2 0.908 126.3 38.8 -83.1 -47.6 30.7 -11.8 -29.9 47 86 A T H <5S+ 0 0 19 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 0.618 134.8 13.6 -83.0 -15.3 29.4 -9.3 -27.4 48 87 A E T <5S+ 0 0 147 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.635 124.1 48.8-129.4 -33.1 32.5 -8.9 -25.2 49 88 A L S S- 0 0 5 196,-0.1 3,-2.0 193,-0.1 4,-0.3 -0.880 73.3-161.8-137.0 100.8 18.9 -21.1 -24.4 61 100 A Y T > S+ 0 0 61 193,-2.7 3,-2.0 -2,-0.4 194,-0.1 0.811 83.6 73.0 -52.4 -33.3 17.3 -18.7 -26.9 62 101 A A T 3> S+ 0 0 34 1,-0.3 4,-2.2 192,-0.3 -1,-0.3 0.675 81.6 69.7 -60.4 -19.2 16.8 -16.1 -24.2 63 102 A L H <>>S+ 0 0 4 -3,-2.0 4,-2.0 2,-0.2 5,-0.5 0.766 92.2 60.9 -70.1 -23.2 20.5 -15.3 -24.1 64 103 A I H <>>S+ 0 0 0 -3,-2.0 4,-2.6 -4,-0.3 5,-1.3 0.984 110.9 35.8 -68.8 -55.4 20.2 -13.7 -27.5 65 104 A P H 45S+ 0 0 34 0, 0.0 4,-0.4 0, 0.0 -2,-0.2 0.937 121.3 48.5 -63.5 -43.2 17.7 -11.0 -26.5 66 105 A S H <5S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.831 129.4 18.0 -67.3 -32.4 19.3 -10.5 -23.1 67 106 A L H <5S+ 0 0 41 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.2 0.715 131.6 34.2-111.3 -27.1 22.9 -10.2 -24.3 68 107 A M T XXS+ 0 0 2 -4,-2.6 4,-3.1 -5,-0.5 5,-1.4 0.770 78.6 127.6-103.9 -30.6 22.8 -9.4 -28.0 69 108 A V T 4 - 0 0 24 112,-0.4 3,-1.8 -2,-0.3 6,-0.1 -0.829 39.1 -92.6-131.6 173.7 27.2 -45.9 -18.0 90 129 A N T 3 S+ 0 0 150 1,-0.3 6,-0.1 -2,-0.3 5,-0.1 0.661 125.7 51.7 -61.9 -15.5 27.2 -49.6 -17.2 91 130 A E T 3 S+ 0 0 165 105,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.501 81.2 115.7 -99.3 -4.8 30.3 -49.1 -15.1 92 131 A S S X S- 0 0 8 -3,-1.8 3,-1.9 109,-0.1 4,-0.3 -0.388 80.5 -96.8 -64.9 140.4 28.9 -46.2 -13.0 93 132 A K T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.356 105.3 0.8 -59.9 132.2 28.6 -46.9 -9.3 94 133 A Y T >> S+ 0 0 77 1,-0.1 4,-1.8 -3,-0.1 3,-1.7 0.627 85.3 140.8 63.7 17.8 25.0 -48.1 -8.4 95 134 A G T <4 + 0 0 11 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.810 69.0 54.4 -59.4 -31.6 23.9 -47.7 -12.0 96 135 A D T 34 S+ 0 0 162 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.563 113.2 43.9 -80.2 -5.4 21.7 -50.9 -11.7 97 136 A E T <4 S+ 0 0 79 -3,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.682 90.1 101.0-108.3 -26.2 20.0 -49.4 -8.7 98 137 A I < + 0 0 13 -4,-1.8 2,-0.3 3,-0.1 5,-0.0 -0.312 40.7 150.2 -70.3 142.8 19.3 -45.8 -9.8 99 138 A N >> - 0 0 65 119,-0.1 4,-1.6 -2,-0.1 3,-1.0 -0.928 60.0 -78.6-156.4 178.4 15.9 -44.6 -11.0 100 139 A T T 34 S+ 0 0 48 -2,-0.3 4,-0.2 1,-0.2 -2,-0.0 0.738 124.4 50.7 -57.7 -27.3 13.7 -41.6 -11.2 101 140 A D T 34 S+ 0 0 121 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 0.677 123.3 23.1 -87.8 -19.4 12.6 -42.0 -7.6 102 141 A N T X> S+ 0 0 32 -3,-1.0 4,-1.8 -5,-0.1 3,-1.5 0.360 78.1 115.1-130.5 7.8 16.0 -42.3 -5.9 103 142 A W H 3X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 5,-0.2 0.864 82.5 50.5 -48.8 -42.9 18.6 -40.6 -8.1 104 143 A Y H 3> S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.740 106.2 55.2 -70.5 -22.1 19.4 -37.9 -5.6 105 144 A E H <> S+ 0 0 81 -3,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.845 108.8 48.9 -76.7 -34.1 19.8 -40.5 -2.8 106 145 A I H >< S+ 0 0 1 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.917 109.9 50.3 -69.4 -43.2 22.4 -42.2 -5.0 107 146 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.5 63.6 -66.0 -24.5 24.2 -38.9 -5.6 108 147 A R H 3< S+ 0 0 60 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.710 77.8 105.7 -70.8 -20.3 24.2 -38.3 -1.9 109 148 A R S X< S- 0 0 71 -3,-1.3 3,-2.2 -4,-0.5 -3,-0.0 -0.444 76.1-132.1 -64.8 128.6 26.4 -41.3 -1.3 110 149 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.707 103.4 55.3 -53.7 -24.9 30.0 -40.2 -0.5 111 150 A D T 3 S+ 0 0 73 2,-0.0 2,-0.4 70,-0.0 -18,-0.1 0.416 90.5 92.2 -91.7 4.3 31.6 -42.6 -3.0 112 151 A V < - 0 0 0 -3,-2.2 2,-0.4 -6,-0.2 88,-0.0 -0.826 57.1-164.3-101.8 134.8 29.6 -41.2 -5.9 113 152 A R - 0 0 46 -2,-0.4 88,-2.8 69,-0.0 89,-1.6 -0.958 6.1-173.0-120.0 136.3 30.9 -38.4 -8.1 114 153 A Y E -lm 182 202B 0 67,-2.7 69,-1.7 -2,-0.4 2,-0.3 -0.858 9.0-144.9-126.1 159.9 28.8 -36.4 -10.6 115 154 A G E +lm 183 203B 0 87,-2.0 89,-2.6 -2,-0.3 2,-0.3 -0.910 21.1 158.7-126.6 153.1 29.6 -33.8 -13.2 116 155 A F E -l 184 0B 1 67,-1.5 69,-0.8 -2,-0.3 9,-0.1 -0.948 36.2-101.8-160.1 161.0 28.0 -30.6 -14.5 117 156 A S E -l 185 0B 0 -2,-0.3 69,-0.2 87,-0.3 70,-0.1 -0.362 46.4 -74.4 -92.0 172.0 29.2 -27.6 -16.4 118 157 A N >> - 0 0 12 67,-2.1 4,-2.7 1,-0.2 3,-2.0 -0.488 32.4-152.0 -66.2 111.8 30.0 -24.0 -15.4 119 158 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.705 95.4 61.2 -58.8 -20.7 26.8 -22.0 -14.8 120 159 A N T 34 S+ 0 0 4 1,-0.1 124,-0.1 50,-0.1 122,-0.1 0.682 120.2 23.0 -78.3 -16.6 28.7 -18.8 -15.7 121 160 A D T <4 S+ 0 0 16 -3,-2.0 -80,-1.9 1,-0.2 -81,-1.0 0.705 118.2 47.3-118.2 -28.7 29.3 -20.2 -19.2 122 161 A D >X - 0 0 0 -4,-2.7 4,-2.1 -83,-0.2 3,-0.8 -0.968 55.6-145.5-132.7 131.1 26.8 -22.9 -20.1 123 162 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.903 107.4 58.5 -56.9 -38.3 23.0 -23.3 -20.0 124 163 A A H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -7,-0.1 0.863 107.1 51.3 -58.6 -31.3 23.5 -27.0 -19.2 125 164 A G H <> S+ 0 0 0 -3,-0.8 4,-1.1 -7,-0.3 -1,-0.2 0.943 113.2 38.9 -72.0 -52.4 25.5 -25.8 -16.2 126 165 A Y H X S+ 0 0 0 -4,-2.1 4,-2.0 -8,-0.3 -2,-0.2 0.859 113.7 58.5 -69.6 -26.5 23.0 -23.4 -14.8 127 166 A R H X S+ 0 0 2 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.839 96.9 60.0 -68.4 -32.8 20.2 -25.9 -15.7 128 167 A S H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.898 109.3 45.0 -61.6 -36.3 21.9 -28.6 -13.5 129 168 A Q H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.913 112.2 50.4 -72.7 -42.4 21.4 -26.2 -10.6 130 169 A M H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.934 111.4 48.4 -60.3 -47.1 17.8 -25.4 -11.5 131 170 A V H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.915 111.7 49.5 -60.5 -44.0 16.8 -29.0 -11.8 132 171 A T H < S+ 0 0 0 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.847 112.9 45.6 -67.5 -34.8 18.4 -29.9 -8.5 133 172 A Q H >X S+ 0 0 31 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.884 110.5 53.4 -76.0 -37.4 16.7 -27.1 -6.6 134 173 A L H 3X S+ 0 0 11 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.768 97.7 68.9 -65.7 -24.1 13.3 -27.8 -8.2 135 174 A A H 3X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.791 85.6 69.5 -65.1 -27.4 13.7 -31.4 -7.1 136 175 A E H <4>S+ 0 0 23 -3,-1.1 5,-2.4 -4,-0.5 4,-0.5 0.929 104.9 37.2 -58.2 -49.1 13.3 -30.3 -3.4 137 176 A S H ><5S+ 0 0 101 -4,-0.6 3,-0.5 -3,-0.3 -1,-0.2 0.906 116.3 53.7 -70.7 -41.1 9.6 -29.4 -3.7 138 177 A Y H 3<5S+ 0 0 124 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 120.4 31.0 -60.8 -43.5 8.9 -32.3 -6.1 139 178 A Y T 3<5S- 0 0 32 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.345 107.2-121.8 -96.8 4.4 10.3 -35.0 -3.8 140 179 A N T < 5S+ 0 0 152 -3,-0.5 2,-0.3 -4,-0.5 -3,-0.2 0.930 73.1 125.3 54.4 50.6 9.5 -33.1 -0.6 141 180 A D > < - 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