==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 30-AUG-12 4GVL . COMPND 2 MOLECULE: TRKA DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR C.KONG,W.ZENG,S.YE,L.CHEN,D.B.SAUER,Y.LAM,M.G.DEREBE,Y.JIANG . 1820 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 83910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1270 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 192 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 152 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 465 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 1.9 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 11 6 6 14 3 4 2 4 6 5 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 24 4 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 . 6 4 4 6 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 4 8 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 1 110 A A >> 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 113.6 -2.4 -43.2 -20.2 2 111 A P T 34 + 0 0 125 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.665 360.0 43.4 -60.7 -32.2 -1.6 -43.5 -24.0 3 112 A W T 34 S+ 0 0 171 2,-0.2 4,-0.5 1,-0.1 0, 0.0 0.664 114.9 49.7 -88.4 -19.0 -0.8 -39.9 -24.8 4 113 A I T X4 S+ 0 0 87 -3,-1.3 3,-0.8 2,-0.2 4,-0.5 0.845 104.5 57.0 -83.4 -37.7 1.3 -39.3 -21.6 5 114 A E T 3< S+ 0 0 86 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.765 101.4 61.9 -59.8 -25.5 3.4 -42.5 -22.3 6 115 A R T 3 S+ 0 0 67 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.843 101.3 49.8 -65.3 -37.7 4.1 -40.7 -25.6 7 116 A R S < S+ 0 0 42 -3,-0.8 458,-1.8 -4,-0.5 -1,-0.2 0.458 100.4 81.1 -86.6 -2.4 5.8 -37.8 -23.8 8 117 A L S S- 0 0 50 -4,-0.5 1368,-0.1 -3,-0.5 3,-0.1 -0.388 100.6 -62.3 -92.4 177.7 8.0 -40.1 -21.7 9 118 A R - 0 0 47 1366,-2.0 2,-0.3 -2,-0.1 -1,-0.2 -0.297 65.5-101.2 -60.9 144.2 11.3 -41.7 -22.7 10 119 A Y + 0 0 17 -3,-0.1 -1,-0.1 -4,-0.0 -4,-0.1 -0.525 43.9 167.1 -80.2 128.3 10.9 -44.2 -25.5 11 120 A H - 0 0 31 -2,-0.3 3,-0.0 -3,-0.1 -3,-0.0 -0.978 26.7-137.1-133.6 127.0 10.7 -47.9 -25.0 12 121 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 57,-0.1 -0.232 25.8 -94.9 -81.0 165.9 9.6 -50.1 -27.9 13 122 A T - 0 0 41 55,-0.4 57,-3.3 1,-0.2 3,-0.1 -0.718 34.4-175.4 -81.0 126.6 7.3 -53.1 -27.8 14 123 A I + 0 0 105 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.805 64.2 7.6 -90.4 -37.7 9.3 -56.4 -27.5 15 124 A E - 0 0 109 67,-0.1 -1,-0.3 66,-0.0 67,-0.2 -0.985 69.7-112.3-147.2 153.7 6.4 -58.9 -27.8 16 125 A L - 0 0 6 65,-1.1 67,-0.1 -2,-0.3 2,-0.1 -0.534 50.2 -90.7 -77.4 151.7 2.7 -59.2 -28.6 17 126 A P > - 0 0 75 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.407 39.8-111.5 -62.5 142.5 0.3 -60.3 -25.8 18 127 A D T 3 S+ 0 0 119 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.786 111.4 59.6 -43.4 -45.4 -0.2 -64.1 -25.5 19 128 A D T 3 S+ 0 0 114 2,-0.0 2,-0.4 67,-0.0 -1,-0.3 0.267 74.1 129.4 -77.6 12.0 -3.8 -64.1 -26.7 20 129 A T < + 0 0 17 -3,-1.8 2,-0.3 2,-0.0 66,-0.1 -0.549 31.8 167.5 -72.7 123.9 -3.1 -62.5 -30.1 21 130 A R + 0 0 178 -2,-0.4 66,-0.2 1,-0.1 67,-0.1 -0.885 46.6 19.5-130.8 162.3 -4.6 -64.5 -33.0 22 131 A G S S+ 0 0 28 64,-2.3 24,-0.4 -2,-0.3 2,-0.2 0.597 80.0 146.1 62.5 19.9 -5.2 -64.1 -36.8 23 132 A H - 0 0 0 63,-0.2 65,-2.3 22,-0.1 66,-0.8 -0.560 46.1-134.0 -93.0 151.9 -2.7 -61.3 -37.3 24 133 A I E -ab 47 89A 2 22,-2.6 24,-2.0 -2,-0.2 2,-0.3 -0.925 23.0-160.8-103.6 114.5 -0.5 -60.6 -40.4 25 134 A L E -ab 48 90A 0 64,-1.4 66,-2.5 -2,-0.6 2,-0.5 -0.757 1.7-153.0 -99.3 147.5 3.1 -59.8 -39.6 26 135 A I E -ab 49 91A 0 22,-2.9 24,-2.7 -2,-0.3 2,-0.6 -0.968 7.4-168.5-124.1 124.2 5.5 -58.0 -41.9 27 136 A F E S+ab 50 92A 1 64,-2.5 66,-2.9 -2,-0.5 24,-0.1 -0.956 75.9 28.9-111.1 114.5 9.3 -58.4 -41.9 28 137 A G S S- 0 0 16 22,-0.8 -1,-0.2 -2,-0.6 5,-0.2 0.867 78.7-149.7 100.3 62.2 11.0 -55.8 -44.0 29 138 A I + 0 0 25 21,-0.4 -1,-0.1 -3,-0.2 3,-0.0 -0.403 34.2 140.4 -60.9 127.6 8.9 -52.6 -44.0 30 139 A D > - 0 0 49 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.937 67.3 -75.2-154.9 179.5 9.1 -50.5 -47.2 31 140 A P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.894 128.3 52.4 -46.9 -46.5 6.8 -48.4 -49.5 32 141 A I H > S+ 0 0 16 1,-0.3 4,-1.5 2,-0.2 3,-0.1 0.943 114.4 39.8 -57.5 -52.5 5.4 -51.6 -51.0 33 142 A T H > S+ 0 0 1 -5,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.774 113.6 56.2 -69.0 -24.6 4.5 -53.1 -47.7 34 143 A R H X S+ 0 0 48 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.859 106.9 48.2 -76.4 -33.0 3.3 -49.8 -46.4 35 144 A T H X S+ 0 0 10 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.801 107.0 60.3 -69.6 -30.8 0.9 -49.4 -49.3 36 145 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.936 102.4 49.3 -60.5 -49.8 -0.2 -53.0 -48.5 37 146 A I H < S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 114.0 47.2 -63.0 -33.3 -1.3 -52.0 -45.0 38 147 A R H >< S+ 0 0 95 -4,-1.1 3,-1.0 1,-0.1 -2,-0.2 0.973 110.0 51.0 -66.3 -57.2 -3.3 -49.1 -46.4 39 148 A K H >< S+ 0 0 101 -4,-2.7 3,-0.6 1,-0.3 2,-0.6 0.831 110.6 49.4 -53.8 -40.8 -5.0 -51.1 -49.2 40 149 A L T 3< S+ 0 0 9 -4,-2.2 5,-0.4 1,-0.2 -1,-0.3 -0.367 75.3 105.4 -99.6 53.9 -6.2 -53.8 -46.8 41 150 A E T < + 0 0 129 -3,-1.0 -1,-0.2 -2,-0.6 -2,-0.1 0.512 66.0 72.7-101.5 -13.0 -7.8 -51.5 -44.2 42 151 A S S < S+ 0 0 121 -3,-0.6 2,-0.2 -4,-0.2 -2,-0.1 0.940 95.0 60.7 -60.7 -49.6 -11.3 -52.5 -45.5 43 152 A R S S- 0 0 152 1,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.514 96.5-124.6 -70.0 144.7 -10.6 -55.8 -43.8 44 153 A N + 0 0 166 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 -0.163 55.6 155.0 -87.5 41.9 -10.0 -55.6 -40.0 45 154 A H - 0 0 31 -2,-0.4 2,-0.7 -5,-0.4 -22,-0.1 -0.430 41.7-132.4 -62.8 140.6 -6.7 -57.4 -40.4 46 155 A L - 0 0 91 -24,-0.4 -22,-2.6 -2,-0.1 2,-0.4 -0.894 21.4-160.3-101.2 113.7 -4.2 -56.6 -37.7 47 156 A F E -ac 24 66A 2 -2,-0.7 20,-1.8 18,-0.6 2,-0.5 -0.792 8.5-172.4 -95.5 135.2 -0.8 -55.8 -39.1 48 157 A V E -ac 25 67A 2 -24,-2.0 -22,-2.9 -2,-0.4 2,-0.4 -0.977 8.3-158.1-124.0 116.6 2.4 -56.1 -37.0 49 158 A V E -ac 26 68A 0 18,-2.4 20,-2.4 -2,-0.5 2,-0.4 -0.817 8.4-152.7 -95.6 136.1 5.6 -54.8 -38.5 50 159 A V E +ac 27 69A 6 -24,-2.7 -22,-0.8 -2,-0.4 -21,-0.4 -0.873 17.1 174.0-108.2 136.6 8.9 -56.1 -37.1 51 160 A T E - c 0 70A 8 18,-2.4 20,-2.3 -2,-0.4 -24,-0.0 -0.996 30.6-160.9-142.9 146.1 12.1 -54.2 -37.1 52 161 A D S S+ 0 0 100 -2,-0.3 2,-0.6 18,-0.2 20,-0.1 0.485 72.5 96.8 -98.5 -9.8 15.6 -54.8 -35.6 53 162 A N > - 0 0 74 1,-0.2 4,-1.6 18,-0.1 18,-0.0 -0.748 63.0-156.6 -82.1 117.6 16.4 -51.1 -36.0 54 163 A Y H > S+ 0 0 50 -2,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.900 92.5 45.6 -59.0 -46.1 15.8 -49.2 -32.7 55 164 A D H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 108.5 54.2 -67.3 -42.7 15.4 -45.8 -34.5 56 165 A Q H > S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.840 105.3 56.9 -61.3 -33.2 13.1 -47.1 -37.2 57 166 A A H >X S+ 0 0 1 -4,-1.6 4,-0.9 1,-0.2 3,-0.8 0.931 105.2 51.1 -61.9 -45.7 10.9 -48.5 -34.4 58 167 A L H >X S+ 0 0 36 -4,-1.4 3,-1.0 1,-0.2 4,-0.8 0.938 110.2 46.3 -56.9 -52.1 10.5 -45.0 -32.9 59 168 A H H 3< S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.544 113.4 50.7 -75.0 -6.1 9.5 -43.2 -36.0 60 169 A L H X< S+ 0 0 20 -3,-0.8 3,-1.1 -4,-0.6 -1,-0.3 0.563 91.9 74.9-104.4 -12.7 7.0 -45.9 -36.9 61 170 A E H << S+ 0 0 60 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.927 91.9 54.8 -65.6 -44.5 5.2 -46.0 -33.6 62 171 A E T 3< S+ 0 0 96 -4,-0.8 2,-0.4 2,-0.1 -1,-0.3 -0.027 93.6 100.9 -81.3 33.1 3.4 -42.7 -34.2 63 172 A Q < - 0 0 89 -3,-1.1 3,-0.5 -2,-0.4 2,-0.2 -0.978 65.9-132.7-126.8 136.6 2.0 -44.2 -37.4 64 173 A E S S+ 0 0 180 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.526 76.8 45.3 -96.9 152.0 -1.5 -45.7 -38.0 65 174 A G S S+ 0 0 32 -2,-0.2 -18,-0.6 1,-0.1 2,-0.3 -0.043 112.7 36.6 112.0 -25.1 -2.7 -48.9 -39.6 66 175 A F E -c 47 0A 18 -3,-0.5 2,-0.3 -6,-0.2 -3,-0.2 -0.986 69.4-128.3-155.1 155.7 -0.1 -51.0 -37.9 67 176 A K E -c 48 0A 82 -20,-1.8 -18,-2.4 -2,-0.3 2,-0.4 -0.802 26.4-127.7-112.0 158.0 1.8 -51.6 -34.7 68 177 A V E -c 49 0A 3 -2,-0.3 -55,-0.4 -20,-0.2 2,-0.4 -0.836 15.2-167.6-113.5 138.6 5.6 -52.0 -34.3 69 178 A V E -c 50 0A 0 -20,-2.4 -18,-2.4 -2,-0.4 2,-0.7 -0.982 13.3-146.1-122.5 135.0 7.7 -54.6 -32.6 70 179 A Y E +c 51 0A 65 -57,-3.3 2,-0.3 -2,-0.4 -18,-0.2 -0.887 50.9 97.8-102.1 114.4 11.4 -54.3 -31.9 71 180 A G S S- 0 0 13 -20,-2.3 -18,-0.1 -2,-0.7 -2,-0.1 -0.977 77.2 -73.3-175.8 173.6 13.3 -57.5 -32.1 72 181 A S > - 0 0 55 -2,-0.3 3,-2.0 1,-0.2 7,-0.2 -0.781 35.7-148.3 -86.9 114.2 15.5 -59.7 -34.3 73 182 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.800 95.5 49.3 -47.0 -33.3 13.3 -61.3 -37.0 74 183 A T T 3 S+ 0 0 16 4,-0.1 2,-0.5 -3,-0.1 -2,-0.0 0.344 81.8 104.6-101.6 6.0 15.5 -64.4 -37.1 75 184 A D <> - 0 0 43 -3,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.780 66.0-144.2 -83.6 125.8 15.6 -65.1 -33.3 76 185 A A H > S+ 0 0 26 -2,-0.5 4,-1.3 1632,-0.3 -1,-0.1 0.757 101.6 53.9 -61.6 -25.7 13.3 -68.1 -32.6 77 186 A H H > S+ 0 0 154 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.868 104.9 52.3 -77.1 -38.4 12.4 -66.4 -29.3 78 187 A V H > S+ 0 0 24 -6,-0.2 4,-1.5 1,-0.2 3,-0.2 0.961 111.6 46.7 -60.0 -51.4 11.4 -63.1 -31.0 79 188 A L H <>S+ 0 0 0 -4,-2.2 5,-1.5 -7,-0.2 4,-0.3 0.846 108.3 57.6 -56.6 -37.1 9.1 -65.0 -33.3 80 189 A A H ><5S+ 0 0 49 -4,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.905 107.7 45.3 -63.3 -42.5 7.7 -66.9 -30.3 81 190 A G H 3<5S+ 0 0 11 -4,-2.0 -65,-1.1 1,-0.3 -1,-0.2 0.760 106.6 61.3 -71.1 -25.6 6.7 -63.7 -28.6 82 191 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -67,-0.2 -2,-0.2 0.496 109.0-128.7 -76.8 -6.4 5.3 -62.5 -31.9 83 192 A R T X>5 + 0 0 60 -3,-1.1 4,-0.8 -4,-0.3 3,-0.6 0.857 40.2 173.2 62.2 42.2 2.9 -65.5 -31.7 84 193 A V T 34 - 0 0 51 -2,-0.1 4,-3.2 1,-0.1 -1,-0.2 -0.491 57.7-103.5 -72.7 156.5 17.3 -59.8 -48.1 96 205 A D H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 121.4 50.7 -44.5 -57.3 17.3 -63.3 -49.6 97 206 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 114.4 42.6 -50.3 -47.4 19.7 -64.6 -46.9 98 207 A D H > S+ 0 0 50 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.868 111.8 55.4 -69.7 -36.2 17.7 -63.2 -44.0 99 208 A N H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.975 108.2 48.4 -55.6 -56.0 14.5 -64.4 -45.7 100 209 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.897 113.7 46.5 -48.1 -52.0 16.0 -67.9 -45.8 101 210 A N H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.951 112.8 50.7 -56.7 -50.5 17.0 -67.7 -42.2 102 211 A L H X S+ 0 0 0 -4,-3.5 4,-3.1 1,-0.2 -2,-0.2 0.935 110.7 47.7 -54.3 -55.6 13.6 -66.3 -41.2 103 212 A C H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 -1,-0.2 0.876 112.5 48.7 -51.9 -46.3 11.6 -69.1 -43.0 104 213 A L H X S+ 0 0 16 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.908 114.0 46.1 -65.1 -40.3 13.7 -71.8 -41.5 105 214 A T H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.942 114.1 48.9 -65.1 -44.9 13.3 -70.4 -38.1 106 215 A V H >X S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 4,-1.8 0.933 109.3 51.2 -62.4 -48.1 9.6 -69.9 -38.6 107 216 A R H 3< S+ 0 0 46 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.822 99.7 66.1 -57.3 -32.0 9.1 -73.4 -39.9 108 217 A S H 3< S+ 0 0 71 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.775 114.4 30.3 -58.9 -23.3 10.9 -74.6 -36.8 109 218 A L H << S- 0 0 77 -3,-2.0 2,-0.3 -4,-0.6 -2,-0.2 0.735 125.7 -13.9-108.0 -30.2 7.9 -73.3 -34.8 110 219 A C < - 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0 0 27 -61,-0.2 7,-0.2 -2,-0.2 -1,-0.2 -0.274 18.0-134.3 -85.7 163.9 55.5 -84.5 -14.0 1810 551 D S S > S+ 0 0 17 2,-0.2 4,-1.1 3,-0.2 -1,-0.1 0.297 113.8 67.2 -93.2 2.1 58.0 -86.4 -16.1 1811 552 D E H > S+ 0 0 137 2,-0.1 4,-0.8 1,-0.1 3,-0.2 0.915 112.5 31.6 -59.3 -59.1 60.3 -85.4 -13.4 1812 553 D Q H 4 S+ 0 0 28 3,-0.2 -2,-0.2 1,-0.2 -1,-0.1 -0.079 116.3 60.5 -95.6 27.9 58.1 -87.8 -11.5 1813 554 D E H > S+ 0 0 14 3,-0.1 4,-1.0 2,-0.1 -1,-0.2 0.579 113.5 34.3-113.7 -42.3 57.5 -90.0 -14.6 1814 555 D K H < S+ 0 0 166 -4,-1.1 -2,-0.2 2,-0.2 4,-0.2 0.591 130.1 40.8 -80.1 -17.0 61.2 -90.9 -15.1 1815 556 D T T X S+ 0 0 57 -4,-0.8 4,-3.5 -6,-0.1 3,-0.5 0.742 102.4 75.3 -90.3 -36.9 61.1 -90.8 -11.3 1816 557 D F H > S+ 0 0 2 1,-0.2 4,-4.3 2,-0.2 5,-0.4 0.894 94.7 44.6 -42.2 -68.4 57.7 -92.5 -11.1 1817 558 D D H < S+ 0 0 85 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.795 120.1 43.8 -52.3 -36.2 58.7 -96.1 -11.8 1818 559 D Q H > S+ 0 0 149 -3,-0.5 4,-1.9 -4,-0.2 3,-0.3 0.943 122.8 34.6 -71.3 -52.8 61.7 -95.7 -9.5 1819 560 D T H X S+ 0 0 48 -4,-3.5 4,-1.1 1,-0.2 -2,-0.2 0.894 115.0 55.8 -71.9 -42.6 59.9 -94.0 -6.6 1820 561 D I H < S+ 0 0 14 -4,-4.3 -1,-0.2 -5,-0.4 -3,-0.2 0.679 118.9 33.5 -66.4 -19.1 56.5 -95.8 -7.0 1821 562 D A H 4 S+ 0 0 76 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.712 109.2 60.5-110.3 -29.3 58.2 -99.2 -6.7 1822 563 D A H < 0 0 97 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.683 360.0 360.0 -72.3 -20.1 61.1 -98.5 -4.2 1823 564 D R < 0 0 92 -4,-1.1 -51,-0.0 -5,-0.1 0, 0.0 -0.866 360.0 360.0-119.1 360.0 58.5 -97.5 -1.6