==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-OCT-08 3F4B . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER PROTEIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM BERGHEI; . AUTHOR J.C.SACCHETTINI,H.-C.TSAI . 1144 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 837 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 67 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.4 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 8 3 0 0 1 1 7 11 8 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 8 11 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 80 A N 0 0 140 0, 0.0 2,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 132.0 26.2 -8.6 -16.5 2 81 A E - 0 0 89 25,-0.3 27,-2.9 109,-0.1 2,-0.3 -0.453 360.0-160.2 -86.9 146.4 24.2 -10.1 -13.6 3 82 A I E -a 29 0A 19 25,-0.2 109,-1.5 -2,-0.2 110,-1.4 -0.926 5.2-167.9-123.3 144.9 21.9 -13.2 -13.7 4 83 A C E -ab 30 113A 0 25,-2.6 27,-2.6 -2,-0.3 2,-0.6 -0.996 13.0-147.8-131.9 129.4 19.1 -14.4 -11.5 5 84 A F E -ab 31 114A 0 108,-2.2 110,-3.1 -2,-0.4 2,-0.7 -0.861 14.4-162.2 -90.8 123.8 17.5 -17.8 -11.6 6 85 A I E -ab 32 115A 0 25,-3.4 27,-2.8 -2,-0.6 2,-0.7 -0.855 2.5-161.8-111.5 98.7 13.8 -17.5 -10.6 7 86 A A E +ab 33 116A 0 108,-3.1 110,-3.0 -2,-0.7 27,-0.1 -0.697 66.9 38.2 -84.7 114.6 12.3 -20.9 -9.6 8 87 A G + 0 0 27 25,-2.2 2,-0.4 -2,-0.7 8,-0.4 0.755 66.1 134.1 120.1 41.5 8.5 -20.9 -9.6 9 88 A V + 0 0 7 24,-1.5 -1,-0.3 -3,-0.4 26,-0.2 -0.969 9.4 158.3-115.0 133.3 7.0 -18.9 -12.4 10 89 A G S S- 0 0 22 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.289 71.1 -16.4-132.7 4.4 4.1 -20.4 -14.4 11 90 A D S S- 0 0 24 34,-0.0 3,-0.2 40,-0.0 -1,-0.2 -0.921 79.7 -80.8-179.3-159.0 2.5 -17.3 -15.8 12 91 A S S S+ 0 0 12 -2,-0.3 -3,-0.0 1,-0.1 207,-0.0 0.171 104.1 78.4-114.1 16.7 2.4 -13.5 -15.2 13 92 A N S S+ 0 0 96 4,-0.0 2,-0.1 236,-0.0 -1,-0.1 0.420 83.5 66.9-107.8 2.3 -0.0 -13.3 -12.3 14 93 A G S > S- 0 0 12 -3,-0.2 4,-1.2 205,-0.1 204,-0.1 -0.405 92.6 -91.5-115.9-170.3 2.2 -14.3 -9.4 15 94 A Y H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.833 114.2 65.4 -78.1 -33.0 5.2 -13.1 -7.5 16 95 A G H > S+ 0 0 3 -8,-0.4 4,-2.1 101,-0.3 -1,-0.2 0.932 104.8 47.7 -51.3 -47.0 7.9 -14.7 -9.6 17 96 A W H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 110.1 51.0 -61.9 -44.4 6.8 -12.5 -12.5 18 97 A G H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.834 110.5 49.5 -62.4 -37.0 6.8 -9.3 -10.4 19 98 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.887 109.0 52.6 -67.3 -42.2 10.3 -10.0 -9.1 20 99 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 3,-0.2 0.953 108.7 50.8 -56.8 -50.9 11.5 -10.7 -12.6 21 100 A K H X S+ 0 0 40 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.900 111.0 46.8 -52.7 -48.3 10.1 -7.3 -13.7 22 101 A E H X S+ 0 0 10 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.791 109.9 54.3 -69.0 -28.6 11.9 -5.4 -10.9 23 102 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.3 -3,-0.2 3,-0.6 0.821 102.9 56.8 -72.8 -31.9 15.1 -7.2 -11.6 24 103 A S H ><5S+ 0 0 10 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.863 94.8 67.3 -65.5 -35.7 14.9 -6.1 -15.2 25 104 A K H 3<5S+ 0 0 110 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.6 42.8 -56.1 -33.9 14.8 -2.5 -14.0 26 105 A R T <<5S- 0 0 67 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 -0.002 125.6 -98.7-105.0 30.4 18.3 -2.8 -12.7 27 106 A N T < 5S+ 0 0 104 -3,-2.3 2,-0.4 1,-0.2 -25,-0.3 0.741 70.3 152.5 70.2 27.7 19.7 -4.6 -15.8 28 107 A V < - 0 0 5 -5,-2.3 2,-0.4 -8,-0.1 34,-0.3 -0.773 40.3-135.0 -93.8 131.8 19.5 -8.2 -14.3 29 108 A K E -a 3 0A 52 -27,-2.9 -25,-2.6 -2,-0.4 2,-0.5 -0.707 22.5-144.8 -86.6 136.5 19.0 -11.0 -16.8 30 109 A V E -ac 4 63A 0 32,-1.4 34,-1.7 -2,-0.4 35,-1.1 -0.891 16.8-167.9-115.1 126.2 16.4 -13.6 -15.7 31 110 A I E -ac 5 65A 0 -27,-2.6 -25,-3.4 -2,-0.5 2,-0.4 -0.935 21.9-144.9-100.9 126.7 16.2 -17.4 -16.1 32 111 A F E -ac 6 66A 0 33,-2.6 35,-2.4 -2,-0.5 2,-0.6 -0.764 2.5-149.6 -91.9 136.5 12.8 -18.8 -15.3 33 112 A G E -ac 7 67A 1 -27,-2.8 -25,-2.2 -2,-0.4 -24,-1.5 -0.930 23.3-162.7-103.8 121.7 12.4 -22.2 -13.6 34 113 A V E - c 0 68A 0 33,-2.6 35,-2.7 -2,-0.6 5,-0.1 -0.908 24.1-120.6-122.3 123.6 9.1 -23.7 -14.8 35 114 A W >> - 0 0 113 -2,-0.5 3,-2.1 -26,-0.2 4,-0.5 -0.355 30.8-134.2 -52.8 121.3 7.0 -26.5 -13.4 36 115 A P H >> S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.854 99.1 64.9 -55.6 -43.0 6.9 -29.0 -16.3 37 116 A P H 34 S+ 0 0 33 0, 0.0 -2,-0.1 0, 0.0 52,-0.1 0.619 117.9 30.6 -58.1 -8.3 3.1 -29.8 -16.1 38 117 A V H <> S+ 0 0 21 -3,-2.1 4,-2.0 50,-0.1 5,-0.2 0.346 96.0 99.5-124.0 2.1 2.6 -26.1 -17.1 39 118 A Y H S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.932 110.6 48.4 -62.8 -46.4 1.6 -23.7 -22.2 42 121 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.848 111.7 49.5 -62.7 -36.7 3.7 -21.0 -20.6 43 122 A I H X S+ 0 0 27 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.826 111.8 49.3 -72.4 -31.3 6.2 -21.1 -23.5 44 123 A K H X S+ 0 0 123 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.960 110.0 49.0 -71.3 -53.2 3.3 -20.9 -26.0 45 124 A N H <>S+ 0 0 50 -4,-2.9 5,-2.0 1,-0.2 6,-0.4 0.950 114.5 48.0 -44.1 -54.3 1.7 -17.9 -24.2 46 125 A L H ><5S+ 0 0 23 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.950 111.8 48.1 -52.6 -55.5 5.1 -16.4 -24.2 47 126 A E H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.853 111.2 50.1 -59.7 -39.0 5.8 -17.1 -27.9 48 127 A S T 3<5S- 0 0 75 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.358 116.2-110.3 -85.4 6.0 2.4 -15.7 -29.0 49 128 A G T X 5S+ 0 0 23 -3,-1.7 3,-0.5 -4,-0.4 4,-0.4 0.707 73.3 135.4 80.2 22.9 2.7 -12.4 -27.1 50 129 A K T 3 S+ 0 0 13 -6,-0.4 4,-1.1 1,-0.2 3,-0.3 0.445 83.3 99.4 -92.1 -0.7 2.6 -11.6 -21.8 52 131 A D H X> S+ 0 0 60 -3,-0.5 3,-1.0 1,-0.3 4,-0.7 0.920 83.1 50.8 -54.0 -48.1 3.8 -8.7 -23.9 53 132 A K H >4 S+ 0 0 178 -4,-0.4 3,-0.6 -3,-0.3 -1,-0.3 0.892 114.2 45.7 -50.8 -42.1 1.5 -6.3 -22.0 54 133 A D H 34 S+ 0 0 59 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.522 100.6 67.7 -85.3 -5.8 3.0 -7.6 -18.8 55 134 A M H << S+ 0 0 13 -4,-1.1 6,-2.3 -3,-1.0 2,-0.5 0.628 72.9 110.0 -86.3 -14.2 6.6 -7.5 -19.9 56 135 A I B << G 60 0B 99 -4,-0.7 4,-0.2 -3,-0.6 -35,-0.0 -0.491 360.0 360.0 -70.0 116.3 6.6 -3.7 -20.0 57 136 A I 0 0 51 2,-2.3 3,-0.2 -2,-0.5 -1,-0.2 0.662 360.0 360.0-108.1 360.0 8.8 -2.2 -17.2 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 142 A K 0 0 177 0, 0.0 -2,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-159.2 11.1 -0.9 -22.4 60 143 A R B -G 56 0B 112 -4,-0.2 -4,-0.2 -3,-0.2 -5,-0.1 -0.916 360.0-102.8-128.6 140.0 10.8 -4.7 -21.9 61 144 A M - 0 0 10 -6,-2.3 2,-0.8 -2,-0.4 -40,-0.1 -0.173 33.6-135.6 -47.2 131.7 11.9 -7.5 -19.6 62 145 A Q - 0 0 111 -34,-0.3 -32,-1.4 -41,-0.1 2,-0.8 -0.835 13.3-161.8-101.2 102.5 14.7 -9.6 -21.0 63 146 A I E -c 30 0A 40 -2,-0.8 -32,-0.2 1,-0.2 3,-0.1 -0.762 5.4-173.0 -83.1 111.1 14.1 -13.3 -20.4 64 147 A L E - 0 0 39 -34,-1.7 2,-0.3 -2,-0.8 -33,-0.2 0.813 64.8 -12.3 -73.2 -33.1 17.4 -15.0 -20.9 65 148 A D E -c 31 0A 35 -35,-1.1 -33,-2.6 2,-0.0 2,-0.5 -0.972 46.9-147.1-168.0 151.2 16.0 -18.6 -20.7 66 149 A V E +c 32 0A 16 -2,-0.3 -33,-0.2 -35,-0.2 -35,-0.1 -0.929 29.2 177.1-127.2 106.6 13.0 -20.7 -19.7 67 150 A L E -c 33 0A 13 -35,-2.4 -33,-2.6 -2,-0.5 2,-0.3 -0.740 31.8-112.3-109.4 154.5 13.9 -24.1 -18.3 68 151 A P E +c 34 0A 12 0, 0.0 2,-0.4 0, 0.0 -33,-0.2 -0.707 40.0 175.3 -82.2 135.1 11.8 -27.0 -16.9 69 152 A L - 0 0 7 -35,-2.7 2,-0.6 -2,-0.3 27,-0.2 -0.969 23.1-169.7-147.0 125.1 12.2 -27.5 -13.2 70 153 A D > - 0 0 15 25,-3.0 3,-2.1 -2,-0.4 27,-0.4 -0.924 9.4-162.7-114.4 105.2 10.5 -29.9 -10.8 71 154 A A T 3 S+ 0 0 10 -2,-0.6 78,-0.1 1,-0.3 79,-0.1 0.292 83.4 72.3 -71.1 9.9 11.5 -28.8 -7.2 72 155 A G T 3 S+ 0 0 11 1,-0.1 2,-0.5 73,-0.0 -1,-0.3 0.576 89.2 68.1 -95.2 -14.7 10.4 -32.2 -5.9 73 156 A F < - 0 0 27 -3,-2.1 24,-2.6 22,-0.2 25,-0.2 -0.929 57.7-172.4-112.2 121.7 13.3 -34.0 -7.5 74 157 A D S S- 0 0 14 -2,-0.5 24,-1.8 22,-0.2 2,-0.3 0.896 73.6 -9.4 -79.4 -41.6 16.8 -33.3 -6.2 75 158 A N S >> S- 0 0 45 22,-0.2 3,-1.5 23,-0.1 4,-0.7 -0.892 82.5 -84.3-145.2 177.7 18.5 -35.2 -9.0 76 159 A Y G >4 S+ 0 0 108 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.885 120.4 58.8 -50.4 -47.0 17.8 -37.6 -11.9 77 160 A D G 34 S+ 0 0 136 1,-0.3 -1,-0.3 -4,-0.0 -4,-0.0 0.692 97.7 62.0 -61.7 -19.8 17.8 -40.8 -9.8 78 161 A D G <4 S+ 0 0 76 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.787 78.9 103.2 -76.7 -26.8 14.9 -39.3 -7.7 79 162 A I << - 0 0 11 -3,-1.5 -6,-0.0 -4,-0.7 17,-0.0 -0.399 69.6-137.5 -64.6 115.5 12.6 -39.1 -10.7 80 163 A D >> - 0 0 68 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.288 15.8-119.6 -69.6 159.1 10.1 -42.0 -10.6 81 164 A E H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 108.4 68.2 -68.3 -36.8 9.2 -43.9 -13.8 82 165 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.836 108.8 36.8 -52.1 -36.5 5.6 -42.9 -13.6 83 166 A T H X4 S+ 0 0 22 -3,-0.5 3,-1.1 2,-0.2 -1,-0.2 0.829 110.5 58.9 -87.4 -33.2 6.5 -39.3 -14.3 84 167 A K H 3< S+ 0 0 51 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.792 115.7 39.4 -59.7 -25.9 9.3 -40.1 -16.7 85 168 A N T 3< S+ 0 0 109 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.378 94.5 120.9 -99.3 -1.5 6.5 -41.9 -18.6 86 169 A N S X> S- 0 0 59 -3,-1.1 3,-2.4 -5,-0.2 4,-1.9 -0.422 72.3-122.1 -75.1 139.8 4.0 -39.1 -17.9 87 170 A K T 34 S+ 0 0 146 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.805 110.5 46.8 -45.4 -39.4 2.3 -37.2 -20.7 88 171 A R T 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 -49,-0.2 0.203 119.0 36.3 -96.4 16.3 3.6 -33.8 -19.5 89 172 A Y T X4 S+ 0 0 20 -3,-2.4 3,-1.5 -6,-0.2 -2,-0.2 0.521 86.7 90.2-136.3 -23.5 7.2 -34.8 -18.8 90 173 A N T 3< S+ 0 0 86 -4,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.866 94.1 42.8 -48.9 -49.5 8.3 -37.3 -21.6 91 174 A N T 3 S+ 0 0 110 -4,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.577 105.3 83.7 -75.7 -10.7 9.5 -34.7 -24.0 92 175 A L < + 0 0 21 -3,-1.5 2,-0.3 -8,-0.1 3,-0.1 -0.780 54.4 173.9-103.4 138.3 11.2 -32.8 -21.2 93 176 A K + 0 0 161 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.826 52.8 37.7-131.4 171.7 14.7 -33.5 -19.8 94 177 A N + 0 0 78 -2,-0.3 -1,-0.1 1,-0.1 9,-0.1 0.858 68.3 133.6 57.3 43.2 17.1 -32.0 -17.3 95 178 A Y + 0 0 10 -3,-0.1 -25,-3.0 4,-0.1 -22,-0.2 0.216 30.7 109.6-112.0 14.3 14.4 -30.8 -14.9 96 179 A S S > S- 0 0 0 -27,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.526 82.7-113.7 -75.4 157.2 15.9 -32.0 -11.6 97 180 A I H > S+ 0 0 0 -24,-2.6 4,-1.5 -27,-0.4 -22,-0.2 0.916 121.3 46.1 -55.6 -40.8 17.2 -29.4 -9.2 98 181 A E H > S+ 0 0 69 -24,-1.8 4,-2.1 -25,-0.2 -1,-0.2 0.908 110.4 51.4 -69.4 -41.0 20.6 -30.8 -9.9 99 182 A E H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.868 111.2 46.1 -68.8 -37.0 20.2 -31.0 -13.7 100 183 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.838 110.6 53.7 -77.2 -29.0 19.1 -27.4 -14.2 101 184 A A H X S+ 0 0 2 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.893 113.5 43.2 -68.6 -40.7 21.8 -26.1 -11.9 102 185 A N H X S+ 0 0 60 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.962 115.6 49.8 -62.4 -55.3 24.4 -28.0 -14.0 103 186 A L H X S+ 0 0 37 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.966 114.3 42.5 -44.4 -67.8 22.6 -26.9 -17.2 104 187 A I H X>S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 5,-0.7 0.885 115.2 51.2 -51.5 -42.8 22.5 -23.2 -16.2 105 188 A Y H X5S+ 0 0 87 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.950 112.1 45.6 -64.0 -47.6 26.1 -23.3 -14.9 106 189 A N H <5S+ 0 0 133 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 118.1 43.3 -58.6 -42.3 27.4 -24.9 -18.1 107 190 A K H <5S+ 0 0 117 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.761 136.9 7.6 -79.6 -25.7 25.5 -22.5 -20.4 108 191 A Y H <5S- 0 0 77 -4,-2.2 2,-0.2 -5,-0.3 -3,-0.2 0.550 91.6-135.0-132.0 -16.4 26.2 -19.2 -18.4 109 192 A G << + 0 0 24 -4,-2.5 -1,-0.2 -5,-0.7 2,-0.2 -0.587 63.6 3.3 90.4-156.2 28.7 -19.8 -15.6 110 193 A K - 0 0 112 -2,-0.2 48,-0.2 48,-0.1 2,-0.2 -0.442 67.9-153.6 -68.5 132.8 28.3 -18.6 -12.0 111 194 A I E - d 0 158A 3 46,-1.8 48,-2.9 43,-0.2 -107,-0.1 -0.644 10.6-152.1-103.0 167.6 25.1 -16.7 -11.2 112 195 A S E S+ 0 0 14 -109,-1.5 51,-2.5 -2,-0.2 2,-0.4 0.614 71.0 47.9-111.6 -18.1 24.6 -14.1 -8.5 113 196 A M E -bd 4 163A 1 -110,-1.4 -108,-2.2 49,-0.2 2,-0.4 -0.984 53.0-170.1-138.4 135.9 20.9 -14.3 -7.6 114 197 A L E -bd 5 164A 0 49,-2.7 51,-2.4 -2,-0.4 2,-0.5 -0.986 5.2-167.4-130.0 126.7 18.5 -17.1 -6.7 115 198 A V E -bd 6 165A 0 -110,-3.1 -108,-3.1 -2,-0.4 2,-0.6 -0.958 4.4-169.3-116.5 127.0 14.7 -16.7 -6.3 116 199 A H E +bd 7 166A 1 49,-2.7 51,-0.6 -2,-0.5 -108,-0.2 -0.971 22.3 152.5-107.3 118.0 12.5 -19.4 -4.8 117 200 A S + 0 0 18 -110,-3.0 2,-0.3 -2,-0.6 -101,-0.3 -0.321 35.6 106.6-143.0 59.1 8.8 -18.6 -5.3 118 201 A L + 0 0 37 25,-0.1 2,-0.3 49,-0.1 49,-0.1 -0.968 30.9 163.7-135.9 151.3 7.1 -22.0 -5.3 119 202 A A - 0 0 51 -2,-0.3 2,-0.3 -111,-0.0 24,-0.1 -0.969 6.9-177.4-158.4 156.1 4.9 -23.9 -3.0 120 203 A N + 0 0 63 19,-0.4 22,-0.3 -2,-0.3 23,-0.3 -0.943 9.2 163.3-160.7 138.3 2.5 -26.9 -3.2 121 204 A G > - 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