==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-APR-12 4EQ9 . COMPND 2 MOLECULE: ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN-AMINO A . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR G.MINASOV,Z.WAWRZAK,P.J.STOGIOS,S.H.LIGHT,M.KUDRITSKA,V.YIM, . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.8 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 . 1 0.4 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 0 0 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 37 A K 0 0 155 0, 0.0 2,-0.5 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0 166.2 56.6 25.3 40.0 2 38 A K E -a 41 0A 109 38,-2.8 40,-2.4 1,-0.0 2,-0.4 -0.771 360.0-133.9 -89.0 125.6 55.4 28.1 42.2 3 39 A E E -a 42 0A 112 -2,-0.5 2,-0.5 38,-0.2 40,-0.2 -0.664 16.2-161.0 -81.3 129.1 54.6 27.0 45.8 4 40 A I E -a 43 0A 0 38,-3.0 40,-2.4 -2,-0.4 2,-0.6 -0.962 5.5-153.3-112.8 120.4 51.3 28.3 47.1 5 41 A I E -a 44 0A 13 -2,-0.5 58,-2.0 38,-0.2 59,-1.9 -0.862 7.1-165.3 -99.0 123.1 51.0 28.2 50.9 6 42 A V E -ab 45 64A 0 38,-3.0 40,-2.6 -2,-0.6 2,-0.3 -0.940 9.8-155.6-110.9 120.1 47.4 27.8 52.2 7 43 A A E +ab 46 65A 0 57,-2.5 59,-2.0 -2,-0.5 2,-0.3 -0.665 19.6 161.0 -96.8 152.2 47.0 28.6 55.9 8 44 A T E -a 47 0A 0 38,-1.8 40,-2.2 -2,-0.3 59,-0.1 -0.967 41.5-134.7-160.7 152.2 44.3 27.4 58.3 9 45 A N - 0 0 13 2,-0.3 41,-0.1 -2,-0.3 38,-0.1 0.524 53.1-113.3 -87.6 -3.7 43.8 27.1 62.1 10 46 A G + 0 0 13 1,-0.2 8,-0.1 39,-0.1 14,-0.1 0.554 66.8 142.0 89.7 3.5 42.4 23.5 61.7 11 47 A S + 0 0 18 1,-0.2 -2,-0.3 6,-0.1 -1,-0.2 -0.988 27.2 36.5-131.5 148.0 38.8 24.3 62.8 12 48 A P S >> S- 0 0 7 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.426 76.1-107.4-110.9 158.8 35.9 23.7 62.4 13 49 A R T 34 S+ 0 0 98 1,-0.3 157,-0.2 2,-0.2 156,-0.2 -0.467 96.5 17.1 -71.3 142.1 34.9 20.2 61.4 14 50 A P T 34 S+ 0 0 9 0, 0.0 12,-2.6 0, 0.0 -1,-0.3 -0.918 124.7 55.0 -96.8 15.2 33.9 19.1 58.7 15 51 A F T <4 S- 0 0 0 -3,-1.3 12,-1.5 1,-0.3 13,-0.9 0.920 130.2 -0.2 -65.8 -46.9 35.2 22.2 56.8 16 52 A I S < S+ 0 0 0 -4,-2.1 -1,-0.3 9,-0.1 2,-0.3 -0.989 79.6 136.9-143.7 138.9 38.7 21.6 58.3 17 53 A Y E -E 24 0B 36 7,-1.9 7,-2.8 -2,-0.3 2,-0.4 -0.943 41.8-108.2-164.3 176.5 40.0 18.9 60.6 18 54 A E E +E 23 0B 72 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.941 24.1 179.3-121.9 144.2 43.0 16.6 61.1 19 55 A E E > S-E 22 0B 107 3,-2.6 3,-1.8 -2,-0.4 -2,-0.0 -0.980 75.4 -6.3-143.1 126.0 43.3 12.9 60.7 20 56 A N T 3 S- 0 0 155 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.869 130.5 -54.9 56.9 40.0 46.5 11.0 61.2 21 57 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.346 118.5 103.3 78.9 -4.4 48.4 14.2 61.7 22 58 A E E < S-E 19 0B 131 -3,-1.8 -3,-2.6 1,-0.0 -1,-0.2 -0.844 73.0-107.3-118.3 149.4 47.3 15.7 58.4 23 59 A L E +E 18 0B 16 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.456 47.4 146.5 -72.7 136.2 44.8 18.3 57.3 24 60 A T E +E 17 0B 20 -7,-2.8 -7,-1.9 -2,-0.2 4,-0.2 -0.740 7.9 114.2-147.8-164.6 41.5 17.3 55.6 25 61 A G S > S- 0 0 0 -9,-0.3 4,-2.8 -2,-0.2 5,-0.3 -0.288 78.4 -63.1 109.4 162.2 37.9 18.5 55.5 26 62 A Y H > S+ 0 0 0 -12,-2.6 4,-2.4 1,-0.2 5,-0.2 0.897 131.5 43.2 -48.5 -52.3 35.8 20.0 52.7 27 63 A E H > S+ 0 0 0 -12,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.887 112.9 51.6 -69.2 -37.1 37.7 23.1 52.1 28 64 A I H > S+ 0 0 0 -13,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.945 113.6 44.8 -63.2 -46.7 41.1 21.5 52.3 29 65 A E H X S+ 0 0 47 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.843 110.4 53.9 -70.1 -32.1 40.0 18.9 49.7 30 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.947 111.8 45.9 -62.5 -45.4 38.4 21.5 47.5 31 67 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 110.3 53.1 -66.6 -38.9 41.7 23.4 47.5 32 68 A R H X S+ 0 0 83 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.930 110.7 48.2 -57.8 -44.1 43.7 20.2 46.8 33 69 A A H < S+ 0 0 19 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.879 105.3 58.8 -65.9 -38.0 41.4 19.6 43.8 34 70 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.930 117.1 32.5 -54.1 -46.1 41.9 23.2 42.6 35 71 A F H >< S+ 0 0 8 -4,-1.9 3,-2.2 -5,-0.1 -1,-0.2 0.499 85.8 129.1 -93.8 -3.6 45.7 22.7 42.3 36 72 A K T 3< S- 0 0 150 -4,-1.1 3,-0.1 -3,-0.3 -3,-0.0 -0.283 88.0 -3.4 -57.4 126.3 45.7 19.0 41.4 37 73 A D T 3 S+ 0 0 146 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.715 89.0 165.0 62.8 22.5 47.9 18.5 38.3 38 74 A S < - 0 0 8 -3,-2.2 -1,-0.2 3,-0.2 -3,-0.1 -0.558 30.5-156.3 -69.4 128.5 48.6 22.2 38.0 39 75 A D S S+ 0 0 145 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.599 92.8 38.9 -80.7 -12.8 51.5 22.8 35.7 40 76 A K S S+ 0 0 89 1,-0.1 -38,-2.8 -39,-0.1 2,-0.3 0.741 114.0 45.5-104.5 -32.9 52.2 26.1 37.3 41 77 A Y E -a 2 0A 9 -40,-0.2 2,-0.4 -6,-0.1 -3,-0.2 -0.869 48.3-163.7-124.6 152.0 51.5 25.6 41.0 42 78 A D E -a 3 0A 82 -40,-2.4 -38,-3.0 -2,-0.3 2,-0.3 -0.984 25.2-142.3-123.5 136.9 52.2 23.3 43.9 43 79 A V E -a 4 0A 45 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.793 17.3-177.2-106.9 145.1 50.1 23.6 47.0 44 80 A K E -a 5 0A 97 -40,-2.4 -38,-3.0 -2,-0.3 2,-0.4 -0.995 14.5-146.7-138.2 131.0 51.2 23.2 50.7 45 81 A F E -a 6 0A 35 -2,-0.3 2,-0.4 -40,-0.2 -38,-0.2 -0.857 14.2-172.0-102.1 136.0 48.9 23.5 53.7 46 82 A E E -a 7 0A 47 -40,-2.6 -38,-1.8 -2,-0.4 2,-0.4 -0.993 14.8-143.6-130.4 131.7 50.1 24.9 57.0 47 83 A K E +a 8 0A 118 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.752 33.0 154.4 -91.5 131.4 48.3 24.9 60.4 48 84 A T - 0 0 38 -40,-2.2 5,-0.1 -2,-0.4 -2,-0.0 -0.968 49.1 -75.4-149.0 163.1 48.7 28.0 62.5 49 85 A E > - 0 0 79 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.117 51.1-106.4 -55.0 152.7 46.8 29.8 65.3 50 86 A W H >> S+ 0 0 23 1,-0.2 4,-1.1 2,-0.2 3,-1.0 0.910 119.7 49.7 -47.7 -53.5 43.8 31.9 64.1 51 87 A S H 3> S+ 0 0 71 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.850 107.7 59.2 -60.1 -31.5 45.4 35.3 64.6 52 88 A G H 3> S+ 0 0 18 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.749 94.3 63.0 -68.2 -27.1 48.4 34.0 62.6 53 89 A V H S+ 0 0 4 -4,-2.2 5,-2.3 2,-0.2 6,-1.6 0.847 108.9 48.8 -69.5 -36.7 50.4 35.8 57.7 57 93 A L H ><5S+ 0 0 4 -4,-1.6 3,-1.4 4,-0.2 -2,-0.2 0.933 110.4 53.4 -64.5 -44.7 48.2 37.0 54.8 58 94 A D H 3<5S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.877 112.8 42.8 -55.5 -38.6 49.1 40.6 55.9 59 95 A A T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.404 112.2-116.4 -90.2 1.3 52.8 39.8 55.7 60 96 A D T < 5S+ 0 0 105 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.722 81.9 123.7 64.3 23.7 52.6 37.9 52.5 61 97 A R S - 0 0 27 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.982 43.1-126.1-141.3 152.0 32.7 41.2 55.6 73 109 A K H > S+ 0 0 146 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.885 111.5 54.5 -59.8 -40.4 33.4 44.6 54.1 74 110 A E H > S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.892 109.6 45.7 -63.6 -42.0 36.3 45.0 56.6 75 111 A R H >> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 3,-1.5 0.919 108.3 57.3 -66.2 -42.3 38.0 41.8 55.4 76 112 A A H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 99.4 60.0 -61.1 -25.2 37.4 42.7 51.8 77 113 A E H 3< S+ 0 0 140 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.729 118.4 29.0 -72.2 -21.9 39.4 45.9 52.3 78 114 A K H << S+ 0 0 104 -3,-1.5 120,-0.6 -4,-0.5 2,-0.3 0.662 123.8 33.6-111.0 -24.2 42.5 43.9 53.3 79 115 A Y E < S-D 197 0A 14 -4,-2.5 2,-0.3 118,-0.1 118,-0.2 -0.903 74.2-112.4-134.3 160.5 42.2 40.6 51.5 80 116 A L E -D 196 0A 35 116,-2.6 116,-2.7 -2,-0.3 2,-0.5 -0.712 26.6-142.1 -91.3 144.8 40.9 39.2 48.2 81 117 A Y E -D 195 0A 25 -2,-0.3 114,-0.2 114,-0.2 2,-0.1 -0.929 9.8-150.8-105.2 127.6 37.9 36.8 48.2 82 118 A A - 0 0 2 112,-2.6 158,-0.1 -2,-0.5 3,-0.1 -0.298 46.7 -66.2 -79.6 175.6 37.8 33.9 45.8 83 119 A A - 0 0 0 121,-0.2 -1,-0.2 157,-0.1 156,-0.1 -0.335 66.4 -94.3 -58.6 148.6 34.5 32.6 44.5 84 120 A P - 0 0 2 0, 0.0 109,-0.2 0, 0.0 -1,-0.1 -0.351 34.9-172.5 -67.4 149.6 32.3 31.0 47.2 85 121 A I + 0 0 0 107,-3.0 2,-0.3 1,-0.3 108,-0.2 0.458 62.4 22.2-123.3 -6.3 32.5 27.3 47.8 86 122 A A E -F 192 0C 0 106,-1.0 106,-2.0 147,-0.1 2,-0.4 -0.989 55.7-143.4-157.7 160.4 29.7 26.5 50.3 87 123 A Q E +F 191 0C 60 145,-2.2 104,-0.2 -2,-0.3 102,-0.0 -0.998 27.9 162.4-128.0 126.6 26.4 27.9 51.7 88 124 A N - 0 0 4 102,-2.6 -2,-0.0 -2,-0.4 144,-0.0 -0.894 27.8-134.3-152.2 109.5 25.7 27.4 55.4 89 125 A P - 0 0 51 0, 0.0 75,-3.0 0, 0.0 2,-0.2 -0.137 23.6-105.4 -70.9 161.1 23.1 29.3 57.4 90 126 A N E -G 163 0D 52 94,-0.4 94,-2.1 73,-0.3 2,-0.3 -0.551 36.1-175.3 -83.2 147.4 23.4 30.9 60.8 91 127 A V E -GH 162 183D 6 71,-2.2 71,-2.4 92,-0.2 2,-0.4 -0.954 22.4-136.5-141.5 160.6 22.0 29.5 64.0 92 128 A L E -GH 161 182D 0 90,-2.6 90,-3.1 -2,-0.3 2,-0.4 -0.969 22.4-156.1-115.2 126.2 21.6 30.3 67.8 93 129 A V E +GH 160 181D 0 67,-2.9 67,-2.1 -2,-0.4 2,-0.3 -0.921 21.5 156.6-112.9 132.7 22.2 27.5 70.2 94 130 A V E -GH 159 180D 0 86,-2.1 86,-3.3 -2,-0.4 2,-0.3 -0.854 50.1 -78.6-140.6 169.2 20.8 27.3 73.8 95 131 A K E > - H 0 179D 60 63,-0.5 3,-1.9 -2,-0.3 84,-0.3 -0.594 38.1-128.1 -70.9 139.1 20.0 24.6 76.3 96 132 A K T 3 S+ 0 0 128 82,-3.1 -1,-0.1 1,-0.3 83,-0.1 0.795 108.8 54.9 -57.6 -30.4 16.8 22.8 75.6 97 133 A D T 3 S+ 0 0 135 81,-0.4 2,-0.8 1,-0.1 -1,-0.3 0.406 87.9 93.2 -86.1 3.9 15.5 23.5 79.1 98 134 A D < + 0 0 31 -3,-1.9 3,-0.5 1,-0.1 -1,-0.1 -0.838 41.5 170.1-102.0 105.2 16.0 27.2 78.8 99 135 A S + 0 0 89 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.485 64.3 82.3 -89.1 -1.7 12.9 29.0 77.6 100 136 A S S S+ 0 0 51 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.648 87.2 56.0 -79.1 -16.8 14.3 32.5 78.3 101 137 A I + 0 0 0 -3,-0.5 -1,-0.2 -6,-0.2 3,-0.1 -0.933 53.0 143.3-119.9 107.4 16.2 32.7 75.0 102 138 A K S S+ 0 0 132 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.536 71.0 3.8-113.7 -15.4 14.0 32.1 71.9 103 139 A S S > S- 0 0 37 79,-0.0 3,-1.8 81,-0.0 -1,-0.2 -0.935 85.7 -84.6-157.4 177.9 15.7 34.6 69.5 104 140 A L G > S+ 0 0 40 -2,-0.3 3,-0.6 1,-0.3 4,-0.1 0.544 119.3 69.4 -67.1 -12.1 18.6 37.0 69.0 105 141 A D G 3 S+ 0 0 131 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.575 92.0 60.3 -80.4 -12.4 16.4 39.7 70.8 106 142 A D G < S+ 0 0 58 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.318 73.5 94.6 -99.0 9.7 16.7 37.8 74.1 107 143 A I X + 0 0 0 -3,-0.6 3,-2.2 2,-0.1 30,-0.4 0.554 49.6 119.1 -86.1 -5.2 20.5 37.9 74.6 108 144 A G T 3 S+ 0 0 14 -3,-0.4 28,-0.3 1,-0.3 3,-0.1 -0.364 89.4 6.3 -62.3 128.6 20.6 41.0 76.8 109 145 A G T 3 S+ 0 0 40 26,-2.5 -1,-0.3 1,-0.3 2,-0.3 0.474 109.7 113.6 77.3 1.1 22.1 40.1 80.2 110 146 A K < - 0 0 57 -3,-2.2 27,-3.0 47,-0.0 2,-0.3 -0.731 61.1-123.6-105.3 155.9 22.9 36.6 78.9 111 147 A S E +i 137 0E 21 -2,-0.3 48,-1.9 25,-0.2 47,-1.2 -0.742 29.4 162.8-109.6 150.5 26.4 35.2 78.4 112 148 A T E -i 138 0E 1 25,-2.3 27,-2.1 -2,-0.3 2,-0.4 -0.900 31.2-123.0-148.8 170.7 28.4 33.6 75.5 113 149 A E E +i 139 0E 19 46,-0.4 2,-0.3 -2,-0.3 27,-0.2 -0.995 33.5 176.1-124.5 127.4 32.0 32.8 74.5 114 150 A V E -i 140 0E 1 25,-1.6 27,-2.4 -2,-0.4 2,-0.4 -0.894 26.4-121.8-131.8 159.9 33.3 34.2 71.2 115 151 A V > - 0 0 26 -2,-0.3 3,-1.6 25,-0.2 6,-0.4 -0.886 37.9-101.8-106.4 133.8 36.6 34.3 69.3 116 152 A Q T 3 S+ 0 0 115 -2,-0.4 3,-0.1 25,-0.4 -1,-0.1 -0.143 101.2 12.1 -50.4 138.9 38.4 37.5 68.3 117 153 A A T 3 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.497 92.3 131.1 71.8 5.0 38.0 38.7 64.7 118 154 A T <> - 0 0 27 -3,-1.6 4,-2.1 1,-0.1 -1,-0.2 -0.508 68.8-117.7 -82.4 157.8 35.2 36.3 63.9 119 155 A T H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 114.6 52.6 -64.1 -39.1 32.0 37.5 62.2 120 156 A S H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 107.7 51.6 -65.4 -39.6 29.8 36.4 65.2 121 157 A A H > S+ 0 0 2 -6,-0.4 4,-2.5 1,-0.2 5,-0.2 0.935 110.8 48.9 -60.0 -41.2 32.1 38.4 67.6 122 158 A K H X S+ 0 0 119 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.916 109.9 51.0 -64.4 -44.6 31.7 41.4 65.3 123 159 A Q H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 113.8 44.7 -60.3 -40.3 27.9 41.1 65.2 124 160 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 12,-0.2 0.863 109.0 55.1 -75.6 -34.0 27.7 40.8 69.0 125 161 A E H X S+ 0 0 106 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.909 111.6 46.0 -60.0 -43.7 30.1 43.7 69.6 126 162 A A H X S+ 0 0 59 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.877 107.8 56.5 -69.0 -38.2 27.8 45.8 67.3 127 163 A Y H X S+ 0 0 30 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.938 108.1 49.2 -56.7 -43.4 24.7 44.5 69.2 128 164 A N H < S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 105.2 56.4 -66.1 -34.9 26.3 45.8 72.4 129 165 A A H < S+ 0 0 79 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.811 115.2 39.5 -66.8 -26.9 27.0 49.2 70.9 130 166 A E H < S+ 0 0 146 -4,-1.4 2,-0.6 -3,-0.5 -2,-0.2 0.871 118.1 46.5 -86.4 -40.3 23.3 49.5 70.1 131 167 A H >< + 0 0 62 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 -0.421 64.9 150.8-105.7 58.6 21.9 48.0 73.3 132 168 A T T 3 + 0 0 108 -2,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.753 67.1 61.5 -64.7 -23.7 24.0 49.8 75.9 133 169 A D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.786 124.6 12.1 -74.1 -24.5 21.3 49.6 78.6 134 170 A N S < S- 0 0 91 -3,-1.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.488 84.6-176.7-153.8 69.6 21.3 45.8 78.6 135 171 A P - 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