==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUN-11 3SM8 . COMPND 2 MOLECULE: FAD-DEPENDENT CATABOLIC D-ARGININE DEHYDROGENASE, . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.FU,I.T.WEBER . 381 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.8 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 0.3 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 . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 1 1 0 1 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 3 3 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 1 995 A H 0 0 215 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.5 28.0 -33.7 -48.9 2 996 A H - 0 0 153 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.780 360.0 -99.6 -98.5 147.0 25.9 -30.5 -49.5 3 997 A H + 0 0 171 -2,-0.4 2,-0.3 191,-0.0 -1,-0.1 -0.319 41.1 179.3 -60.6 139.4 27.5 -27.1 -49.2 4 998 A H - 0 0 118 -2,-0.0 190,-0.3 190,-0.0 189,-0.1 -0.984 31.5-107.7-133.7 151.9 27.0 -25.1 -46.1 5 999 A H E -a 194 0A 109 188,-2.5 190,-0.6 -2,-0.3 3,-0.1 -0.328 51.2 -86.2 -61.6 155.2 28.3 -21.6 -45.2 6 1000 A H E - 0 0 155 1,-0.1 -1,-0.1 188,-0.1 0, 0.0 -0.316 63.0 -85.5 -57.9 147.1 31.1 -21.5 -42.6 7 1001 A P E - 0 0 68 0, 0.0 2,-0.5 0, 0.0 189,-0.2 -0.256 38.5-132.5 -61.0 146.6 29.5 -21.5 -39.1 8 1002 A I E -a 196 0A 44 187,-2.2 189,-2.9 -3,-0.1 2,-0.4 -0.895 16.7-146.6-101.0 124.6 28.5 -18.1 -37.6 9 1003 A E E +a 197 0A 101 -2,-0.5 2,-0.2 187,-0.2 189,-0.2 -0.764 29.0 151.8 -96.2 137.0 29.6 -17.4 -34.0 10 1004 A A E -a 198 0A 5 187,-2.7 189,-0.5 -2,-0.4 24,-0.2 -0.815 49.0-119.4-144.2-178.6 27.5 -15.3 -31.6 11 1005 A D E S+ 0 0 53 22,-2.3 189,-1.0 1,-0.3 2,-0.4 0.748 97.9 18.5 -96.0 -34.1 26.7 -14.8 -27.9 12 1006 A Y E -ab 200 34A 20 21,-2.0 23,-2.0 187,-0.1 2,-0.6 -0.975 61.4-158.6-143.5 125.0 23.0 -15.7 -28.0 13 1007 A L E -ab 201 35A 0 187,-2.5 189,-3.4 -2,-0.4 2,-0.6 -0.935 14.8-158.8 -99.8 120.8 21.0 -17.5 -30.6 14 1008 A V E -ab 202 36A 0 21,-2.9 23,-3.0 -2,-0.6 2,-0.7 -0.899 4.5-151.6-106.0 118.4 17.3 -16.7 -30.3 15 1009 A I E +ab 203 37A 7 187,-3.0 189,-1.9 -2,-0.6 23,-0.2 -0.833 69.4 25.7 -92.4 111.0 15.0 -19.2 -31.9 16 1010 A G - 0 0 8 21,-2.6 22,-0.2 -2,-0.7 21,-0.1 0.295 59.5-144.1 104.2 131.7 11.8 -17.4 -33.0 17 1011 A A + 0 0 0 4,-0.2 21,-0.1 26,-0.1 -1,-0.1 0.075 62.2 112.9-114.2 22.1 11.3 -13.8 -34.0 18 1012 A G S > S- 0 0 17 186,-0.4 4,-2.9 26,-0.1 5,-0.3 0.100 94.7 -68.6 -72.3-166.3 7.8 -13.3 -32.6 19 1013 A I H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 135.1 52.0 -60.3 -34.9 7.2 -10.9 -29.6 20 1014 A A H > S+ 0 0 11 2,-0.2 4,-2.4 184,-0.2 5,-0.3 0.958 115.8 37.0 -65.3 -56.3 9.1 -13.2 -27.3 21 1015 A G H > S+ 0 0 0 183,-0.5 4,-2.7 1,-0.2 5,-0.2 0.886 118.4 51.2 -64.8 -38.7 12.2 -13.6 -29.3 22 1016 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.929 112.9 44.6 -64.0 -46.8 12.1 -9.9 -30.5 23 1017 A S H X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.3 5,-0.2 0.939 116.7 44.6 -68.5 -45.5 11.7 -8.5 -27.0 24 1018 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.943 115.0 49.2 -62.1 -47.4 14.4 -10.7 -25.5 25 1019 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.887 106.1 57.8 -59.4 -38.4 16.7 -10.1 -28.4 26 1020 A Y H < S+ 0 0 37 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.942 110.9 40.9 -57.0 -54.5 16.1 -6.3 -28.1 27 1021 A W H < S+ 0 0 44 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.801 118.3 48.1 -71.6 -25.4 17.4 -6.2 -24.4 28 1022 A L H >X S+ 0 0 0 -4,-2.1 3,-2.4 -5,-0.2 4,-0.7 0.805 93.3 78.9 -74.6 -30.6 20.3 -8.6 -25.2 29 1023 A S T 3< S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.692 85.4 55.7 -66.3 -25.6 21.5 -6.8 -28.3 30 1024 A A T 34 S+ 0 0 68 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.615 111.9 47.0 -73.2 -11.5 23.4 -4.0 -26.6 31 1025 A H T <4 S- 0 0 100 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.551 121.1 -14.6-111.0 -16.3 25.5 -6.5 -24.6 32 1026 A G S < S- 0 0 19 -4,-0.7 2,-0.7 -3,-0.3 -1,-0.2 -0.956 87.3 -54.5-172.6 179.9 26.6 -9.2 -27.1 33 1027 A R - 0 0 133 -2,-0.3 -22,-2.3 -3,-0.1 -21,-2.0 -0.679 51.9-166.9 -81.0 110.4 26.1 -10.6 -30.6 34 1028 A V E -b 12 0A 3 -2,-0.7 136,-2.4 133,-0.2 2,-0.4 -0.870 10.8-177.1 -98.3 133.4 22.5 -11.6 -31.1 35 1029 A V E -bc 13 170A 5 -23,-2.0 -21,-2.9 -2,-0.4 2,-0.5 -0.986 10.0-160.3-126.2 120.5 21.3 -13.8 -34.0 36 1030 A V E -bc 14 171A 0 134,-2.9 136,-3.1 -2,-0.4 2,-0.6 -0.899 5.0-159.8 -97.4 124.6 17.5 -14.4 -34.2 37 1031 A L E -bc 15 172A 2 -23,-3.0 -21,-2.6 -2,-0.5 2,-0.4 -0.945 12.2-177.9-110.4 114.3 16.6 -17.4 -36.3 38 1032 A E - 0 0 16 134,-2.8 137,-3.0 -2,-0.6 136,-0.2 -0.963 22.5-151.6-121.2 129.3 13.0 -17.4 -37.6 39 1033 A R S S+ 0 0 68 -2,-0.4 137,-0.5 136,-0.3 -1,-0.1 0.853 74.9 66.7 -61.6 -47.0 11.4 -20.2 -39.7 40 1034 A E S S- 0 0 47 2,-0.2 134,-2.3 135,-0.1 135,-0.3 -0.225 89.6-113.0 -79.3 170.0 8.9 -18.1 -41.6 41 1035 A A S S+ 0 0 50 132,-0.2 132,-0.2 133,-0.1 -1,-0.1 0.626 105.8 38.0 -74.7 -17.1 9.5 -15.4 -44.2 42 1036 A Q S > S- 0 0 100 1,-0.0 3,-0.7 131,-0.0 -2,-0.2 -0.958 80.2-129.8-131.5 153.9 8.1 -12.8 -41.8 43 1037 A P T 3 S+ 0 0 23 0, 0.0 3,-0.2 0, 0.0 5,-0.2 0.658 101.0 45.8 -81.0 -16.7 8.6 -12.5 -38.0 44 1038 A G T 3 S+ 0 0 24 1,-0.2 5,-0.1 -26,-0.1 -26,-0.1 -0.065 71.2 113.0-119.3 32.9 4.9 -12.1 -37.0 45 1039 A Y S < S+ 0 0 91 -3,-0.7 -1,-0.2 3,-0.1 -27,-0.0 0.769 77.8 45.2 -75.2 -28.4 3.2 -14.7 -39.0 46 1040 A H S > S- 0 0 23 -3,-0.2 3,-1.7 263,-0.1 4,-0.2 0.405 124.9 -29.3 -96.8-134.0 2.2 -16.8 -35.9 47 1041 A S G > S+ 0 0 40 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.823 128.0 62.0 -62.7 -32.3 0.7 -15.7 -32.6 48 1042 A T G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -5,-0.2 3,-0.3 0.734 108.0 44.9 -64.9 -23.8 2.2 -12.2 -32.5 49 1043 A G G < S+ 0 0 57 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.282 111.3 55.5 -92.8 5.3 0.3 -11.3 -35.7 50 1044 A R S < S+ 0 0 34 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.1 0.192 78.9 114.2-125.9 8.2 -2.9 -12.8 -34.5 51 1045 A S S S- 0 0 44 -4,-0.3 102,-0.1 -3,-0.3 287,-0.0 -0.230 75.4-113.8 -83.4 175.3 -3.7 -11.2 -31.1 52 1046 A A - 0 0 21 2,-0.1 99,-0.1 -2,-0.0 -1,-0.1 0.365 47.1-129.8 -82.9 -0.4 -6.5 -8.9 -30.0 53 1047 A A + 0 0 23 1,-0.2 98,-2.6 97,-0.1 2,-0.3 0.853 58.0 141.9 53.6 45.1 -3.8 -6.2 -29.6 54 1048 A H E -H 150 0B 17 96,-0.3 2,-0.5 2,-0.0 288,-0.3 -0.892 48.4-147.6-125.0 152.9 -5.0 -5.3 -26.0 55 1049 A Y E +H 149 0B 2 94,-3.1 94,-1.9 -2,-0.3 2,-0.4 -0.985 26.9 166.3-115.9 112.2 -3.4 -4.4 -22.7 56 1050 A T - 0 0 12 -2,-0.5 3,-0.2 92,-0.2 12,-0.1 -0.958 17.8-170.9-133.8 107.4 -5.5 -5.7 -19.8 57 1051 A V S S+ 0 0 8 -2,-0.4 2,-2.0 1,-0.2 12,-0.2 0.910 79.5 62.3 -71.2 -39.9 -3.9 -5.7 -16.3 58 1052 A A S S+ 0 0 24 10,-0.1 2,-0.3 6,-0.0 -1,-0.2 -0.494 87.0 101.5 -87.7 71.6 -6.5 -7.6 -14.4 59 1053 A Y + 0 0 42 -2,-2.0 9,-0.1 -3,-0.2 2,-0.1 -0.980 67.2 5.2-156.6 134.8 -6.1 -10.8 -16.4 60 1054 A G S S- 0 0 22 -2,-0.3 258,-0.1 4,-0.1 257,-0.0 -0.337 98.5 -30.8 82.1-170.9 -4.3 -14.1 -15.9 61 1055 A T S > S- 0 0 34 256,-0.4 4,-2.5 -2,-0.1 5,-0.2 -0.221 70.7 -92.6 -73.9 170.4 -2.5 -15.3 -12.7 62 1056 A P H > S+ 0 0 111 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.901 127.4 51.9 -52.5 -42.0 -0.7 -13.1 -10.2 63 1057 A Q H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 109.1 50.5 -60.7 -43.6 2.6 -13.5 -12.1 64 1058 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 109.6 50.2 -59.0 -46.8 1.0 -12.5 -15.4 65 1059 A R H X S+ 0 0 53 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.896 110.1 50.6 -63.1 -38.9 -0.5 -9.4 -13.8 66 1060 A A H X S+ 0 0 15 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.929 111.3 47.1 -63.1 -43.8 2.8 -8.4 -12.4 67 1061 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 279,-0.4 0.901 114.7 48.0 -62.4 -40.3 4.6 -8.8 -15.7 68 1062 A T H >X S+ 0 0 0 -4,-2.6 3,-1.1 2,-0.2 4,-0.7 0.959 112.6 47.0 -66.5 -49.7 1.8 -6.8 -17.4 69 1063 A A H >< S+ 0 0 20 -4,-2.9 3,-1.1 1,-0.3 4,-0.4 0.924 111.3 52.5 -58.6 -42.7 1.9 -4.0 -14.9 70 1064 A A H 3< S+ 0 0 6 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.662 103.9 58.0 -69.7 -16.1 5.7 -3.8 -15.1 71 1065 A S H S+ 0 0 70 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.924 108.2 44.3 -58.0 -45.3 6.3 2.1 -18.3 74 1068 A F H 4 S+ 0 0 29 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.924 113.8 50.7 -63.5 -45.1 8.1 1.0 -21.5 75 1069 A F H < S+ 0 0 1 -4,-1.9 12,-0.6 1,-0.2 13,-0.3 0.886 113.9 43.5 -62.1 -37.2 5.0 1.0 -23.6 76 1070 A D H < S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.786 133.5 15.7 -78.8 -31.7 4.0 4.5 -22.5 77 1071 A N S < S+ 0 0 139 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.553 78.4 178.1-144.9 75.7 7.4 6.1 -22.8 78 1072 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.261 45.2 -72.4 -73.0 163.4 9.8 3.9 -24.8 79 1073 A P > - 0 0 61 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.192 62.4 -85.2 -58.2 149.5 13.4 5.0 -25.5 80 1074 A A T 3 S+ 0 0 110 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 -0.310 118.2 20.8 -52.1 136.2 13.9 7.9 -28.0 81 1075 A G T 3 S+ 0 0 66 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.369 89.8 111.6 85.0 -0.4 14.1 6.4 -31.5 82 1076 A F S < S- 0 0 10 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.919 89.8 -12.1 -73.2 -40.8 12.2 3.2 -30.6 83 1077 A C - 0 0 34 -4,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.955 55.6-125.7-155.2 168.4 9.1 4.1 -32.6 84 1078 A E S S+ 0 0 169 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.681 88.9 29.0 -93.0 -26.6 7.4 7.0 -34.4 85 1079 A H S S- 0 0 124 1,-0.1 -1,-0.0 70,-0.0 0, 0.0 -0.870 99.6 -68.9-131.0 165.0 4.0 7.0 -32.8 86 1080 A P - 0 0 104 0, 0.0 -10,-0.1 0, 0.0 69,-0.1 -0.266 33.2-148.9 -55.3 139.8 2.5 6.1 -29.4 87 1081 A L S S+ 0 0 3 -12,-0.6 65,-2.9 64,-0.1 2,-0.4 0.782 79.1 54.2 -79.5 -29.9 2.4 2.3 -28.7 88 1082 A L E -I 151 0B 25 -13,-0.3 63,-0.2 63,-0.2 -1,-0.0 -0.875 60.2-169.1-113.2 144.6 -0.8 2.5 -26.6 89 1083 A S E -I 150 0B 59 61,-2.2 61,-2.7 -2,-0.4 2,-0.1 -0.959 40.8 -94.9-120.9 144.2 -4.2 3.9 -27.5 90 1084 A P E +I 149 0B 111 0, 0.0 59,-0.3 0, 0.0 57,-0.1 -0.357 54.8 153.2 -66.7 131.1 -6.9 4.3 -24.8 91 1085 A R - 0 0 23 57,-2.4 -36,-0.2 -2,-0.1 155,-0.1 -0.502 26.5-156.4-158.1 81.3 -9.3 1.4 -24.6 92 1086 A P - 0 0 27 0, 0.0 154,-2.6 0, 0.0 2,-0.5 -0.104 17.6-126.3 -49.4 155.2 -10.9 0.7 -21.2 93 1087 A E E -Jk 145 246C 17 52,-1.7 52,-2.8 152,-0.2 2,-0.5 -0.947 18.2-166.9-114.4 130.1 -12.2 -2.8 -20.5 94 1088 A M E -Jk 144 247C 0 152,-3.2 154,-2.4 -2,-0.5 2,-0.7 -0.967 4.4-163.0-115.9 113.7 -15.7 -3.6 -19.4 95 1089 A V E -Jk 143 248C 15 48,-1.8 48,-2.2 -2,-0.5 2,-0.4 -0.892 16.2-158.6 -98.1 113.1 -16.3 -7.1 -18.1 96 1090 A V E -Jk 142 249C 0 152,-2.6 154,-2.4 -2,-0.7 2,-0.9 -0.799 15.6-132.9-104.1 132.8 -20.0 -7.8 -18.1 97 1091 A D + 0 0 1 44,-2.8 43,-2.8 -2,-0.4 44,-0.4 -0.726 34.9 160.7 -80.7 104.8 -21.9 -10.4 -16.1 98 1092 A F S S+ 0 0 42 -2,-0.9 -1,-0.2 41,-0.2 151,-0.0 0.367 70.8 61.6 -97.6 1.3 -24.2 -12.2 -18.5 99 1093 A S S S- 0 0 58 -3,-0.1 -1,-0.1 2,-0.0 40,-0.1 0.487 103.5-119.1-103.5 -17.6 -24.5 -15.1 -16.1 100 1094 A D + 0 0 94 1,-0.1 3,-0.1 38,-0.1 -2,-0.1 0.987 63.2 144.3 59.3 67.4 -26.1 -13.5 -13.0 101 1095 A D > + 0 0 49 1,-0.1 4,-2.6 2,-0.1 3,-0.3 -0.635 16.6 168.0-132.5 70.4 -23.1 -14.4 -10.8 102 1096 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.830 75.5 58.2 -63.0 -28.8 -22.8 -11.5 -8.4 103 1097 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.894 110.6 43.0 -65.9 -41.5 -20.4 -13.4 -6.2 104 1098 A E H > S+ 0 0 56 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.903 112.8 52.1 -68.4 -41.0 -18.0 -13.8 -9.1 105 1099 A L H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.943 111.4 46.9 -61.9 -44.4 -18.5 -10.3 -10.3 106 1100 A R H X S+ 0 0 149 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.903 110.8 53.1 -64.6 -40.4 -17.7 -9.0 -6.8 107 1101 A R H X S+ 0 0 133 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.932 111.2 45.6 -56.9 -45.5 -14.6 -11.3 -6.6 108 1102 A Q H X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.896 112.3 52.0 -69.2 -37.1 -13.3 -10.0 -9.9 109 1103 A Y H X S+ 0 0 40 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.958 112.5 44.0 -61.3 -49.4 -14.0 -6.4 -8.9 110 1104 A E H X S+ 0 0 104 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.919 115.7 48.3 -62.9 -42.8 -12.1 -6.7 -5.5 111 1105 A S H X S+ 0 0 61 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.920 116.3 42.9 -60.8 -45.4 -9.2 -8.6 -7.2 112 1106 A G H >X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 3,-0.7 0.911 110.2 55.3 -73.3 -39.3 -8.9 -6.0 -9.9 113 1107 A K H 3< S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 100.2 60.6 -62.7 -34.2 -9.3 -3.0 -7.7 114 1108 A A H 3< S+ 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.860 117.4 31.8 -61.9 -30.8 -6.4 -4.2 -5.5 115 1109 A L H << S+ 0 0 66 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.799 130.2 35.0 -90.7 -36.3 -4.2 -3.9 -8.7 116 1110 A V >< - 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