==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-APR-13 4K5J . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.LI,T.L.POULOS . 806 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 70 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 5 2 0 2 0 2 0 0 0 1 1 0 2 3 1 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 10 6 12 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 . 7 4 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 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 67 A G 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.1 8.6 -19.9 53.2 2 68 A P - 0 0 67 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.235 360.0-142.0 -61.1 140.6 10.2 -18.1 50.1 3 69 A K S S+ 0 0 202 2,-0.1 3,-0.0 14,-0.1 14,-0.0 -0.086 72.0 91.5 -97.2 32.4 13.6 -16.4 50.6 4 70 A F S S- 0 0 86 1,-0.1 15,-0.1 18,-0.0 0, 0.0 -0.841 96.1 -65.4-121.7 158.4 12.9 -13.4 48.3 5 71 A P - 0 0 15 0, 0.0 13,-2.3 0, 0.0 2,-0.5 -0.178 49.7-135.0 -47.7 127.3 11.5 -10.1 49.4 6 72 A R E -A 17 0A 106 11,-0.2 2,-0.5 -4,-0.1 11,-0.2 -0.792 21.5-161.7 -86.4 125.7 7.9 -10.5 50.7 7 73 A V E -A 16 0A 11 9,-3.6 9,-2.2 -2,-0.5 2,-0.4 -0.946 5.7-166.5-119.7 122.6 5.7 -7.7 49.3 8 74 A K E -A 15 0A 42 -2,-0.5 380,-2.3 7,-0.2 2,-0.6 -0.874 18.7-150.9-115.4 136.3 2.3 -6.8 50.8 9 75 A N B > -B 387 0B 1 5,-2.7 4,-1.7 -2,-0.4 5,-0.3 -0.933 11.5-164.4 -96.2 120.5 -0.7 -4.8 49.7 10 76 A W T 4 S+ 0 0 81 376,-3.1 377,-0.1 -2,-0.6 -1,-0.1 0.732 84.6 54.3 -81.7 -22.0 -2.3 -3.4 52.8 11 77 A E T 4 S+ 0 0 56 375,-0.4 -1,-0.2 372,-0.2 376,-0.1 0.963 123.5 25.5 -68.6 -52.1 -5.7 -2.4 51.1 12 78 A L T 4 S- 0 0 120 374,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.662 98.3-130.9 -89.7 -19.0 -6.3 -6.0 49.7 13 79 A G < + 0 0 45 -4,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.537 57.3 144.9 79.3 10.0 -4.3 -7.9 52.2 14 80 A S - 0 0 58 -5,-0.3 -5,-2.7 -6,-0.0 2,-0.3 -0.505 36.4-148.4 -90.1 148.4 -2.5 -9.9 49.5 15 81 A I E +A 8 0A 63 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.859 16.5 171.8-113.9 144.5 1.1 -11.1 49.4 16 82 A T E -A 7 0A 48 -9,-2.2 -9,-3.6 -2,-0.3 2,-0.4 -0.972 23.7-136.0-140.7 155.6 3.6 -11.6 46.6 17 83 A Y E -A 6 0A 69 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.939 17.1-135.3-108.7 133.7 7.3 -12.5 46.6 18 84 A D + 0 0 5 -13,-2.3 347,-0.2 -2,-0.4 346,-0.1 -0.806 33.1 162.7 -89.6 115.7 9.7 -10.6 44.2 19 85 A T > + 0 0 61 345,-2.8 3,-1.0 -2,-0.7 346,-0.2 0.528 65.1 75.2-104.1 -13.3 12.0 -13.1 42.5 20 86 A L G > S+ 0 0 11 344,-1.3 3,-3.4 1,-0.2 4,-0.2 0.857 79.1 71.4 -66.5 -38.0 13.1 -10.7 39.7 21 87 A C G > S+ 0 0 3 1,-0.3 3,-1.3 343,-0.2 -1,-0.2 0.644 82.8 73.3 -56.4 -19.1 15.3 -8.7 42.1 22 88 A A G < S+ 0 0 41 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.643 89.8 60.4 -65.7 -18.4 17.6 -11.8 42.0 23 89 A Q G < S+ 0 0 121 -3,-3.4 2,-0.4 -4,-0.1 -1,-0.2 0.385 76.7 118.0 -89.1 -2.0 18.5 -10.6 38.4 24 90 A S < + 0 0 1 -3,-1.3 370,-0.2 1,-0.2 3,-0.1 -0.566 32.8 171.5 -69.8 124.9 19.8 -7.3 39.7 25 91 A Q + 0 0 150 368,-0.5 2,-0.4 -2,-0.4 -1,-0.2 0.754 59.5 72.8 -96.6 -40.2 23.6 -7.0 38.8 26 92 A Q B S-C 393 0C 85 367,-0.6 367,-0.6 411,-0.1 2,-0.1 -0.657 78.1-132.2 -88.7 129.0 23.9 -3.4 39.8 27 93 A D - 0 0 109 -2,-0.4 410,-0.2 365,-0.1 -2,-0.1 -0.421 19.3-148.0 -70.5 147.6 24.0 -2.3 43.5 28 94 A G - 0 0 28 408,-4.0 410,-0.1 2,-0.2 -1,-0.1 -0.441 34.2 -84.6-105.8-172.3 21.8 0.6 44.7 29 95 A P S S+ 0 0 50 0, 0.0 2,-0.2 0, 0.0 408,-0.1 0.538 91.7 94.4 -74.6 -10.9 22.4 3.2 47.5 30 96 A C + 0 0 3 405,-0.3 5,-0.2 406,-0.2 -2,-0.2 -0.498 44.5 179.6 -91.6 152.9 21.1 1.1 50.6 31 97 A T - 0 0 47 3,-2.0 403,-0.3 -2,-0.2 3,-0.2 -0.859 46.6 -95.9-135.8 171.1 22.9 -1.0 53.1 32 98 A P S S+ 0 0 52 0, 0.0 400,-3.7 0, 0.0 402,-0.2 0.834 123.6 49.2 -59.0 -33.5 21.7 -3.1 56.2 33 99 A R S S+ 0 0 136 398,-0.2 764,-0.4 1,-0.2 2,-0.3 0.798 120.9 20.7 -73.8 -34.2 22.6 -0.2 58.5 34 100 A R - 0 0 37 -3,-0.2 -3,-2.0 762,-0.1 2,-0.7 -0.979 61.0-138.4-151.4 135.3 20.8 2.6 56.6 35 101 A C B +D 795 0D 18 760,-2.7 760,-1.9 -2,-0.3 3,-0.3 -0.797 18.1 174.1 -91.0 113.3 18.0 3.2 54.0 36 102 A L > + 0 0 13 -2,-0.7 3,-0.9 758,-0.2 -1,-0.1 -0.114 39.4 124.3-104.9 30.7 18.8 5.9 51.3 37 103 A G T 3 + 0 0 19 1,-0.2 -1,-0.2 758,-0.1 334,-0.1 0.745 68.9 55.2 -63.1 -28.6 15.6 5.2 49.3 38 104 A S T 3 S+ 0 0 21 755,-0.5 2,-0.3 -3,-0.3 -1,-0.2 0.568 79.3 110.9 -85.9 -11.9 14.4 8.9 49.4 39 105 A L < - 0 0 19 -3,-0.9 372,-0.1 754,-0.2 -3,-0.0 -0.512 60.4-151.3 -60.3 121.7 17.7 10.2 47.9 40 106 A V S S+ 0 0 29 -2,-0.3 -1,-0.1 372,-0.1 -3,-0.0 0.826 83.2 43.5 -63.2 -37.5 17.0 11.6 44.4 41 107 A L 0 0 78 -12,-0.0 -1,-0.1 359,-0.0 -2,-0.0 -0.963 360.0 360.0-114.5 130.4 20.6 10.8 43.1 42 108 A P 0 0 136 0, 0.0 -2,-0.1 0, 0.0 -14,-0.0 -0.230 360.0 360.0 -46.0 360.0 22.5 7.5 43.9 43 ! 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 44 121 A P > 0 0 133 0, 0.0 2,-0.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -33.7 35.9 -1.7 29.8 45 122 A A T 3> + 0 0 71 41,-0.3 4,-1.2 1,-0.2 41,-0.0 -0.816 360.0 0.9 102.4-113.4 37.1 -5.2 28.5 46 123 A E H 3> S+ 0 0 138 -2,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.675 126.1 69.5 -82.5 -22.2 35.5 -8.5 29.7 47 124 A Q H <> S+ 0 0 102 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.873 103.1 43.2 -57.3 -40.8 33.3 -6.2 31.9 48 125 A L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.910 110.7 56.0 -69.0 -46.3 31.7 -5.2 28.6 49 126 A L H X S+ 0 0 26 -4,-1.2 4,-3.3 1,-0.2 -2,-0.2 0.916 106.6 48.0 -56.3 -45.7 31.6 -8.7 27.3 50 127 A S H X S+ 0 0 50 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.805 113.3 47.5 -73.5 -27.5 29.6 -10.1 30.3 51 128 A Q H X S+ 0 0 61 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.855 113.4 49.1 -74.3 -37.6 27.1 -7.3 30.1 52 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.955 110.9 50.4 -62.0 -50.6 26.8 -7.8 26.4 53 130 A R H X S+ 0 0 95 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.896 110.5 49.5 -56.4 -45.0 26.3 -11.6 26.9 54 131 A D H X S+ 0 0 44 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.902 111.6 48.8 -63.1 -43.3 23.6 -11.0 29.5 55 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.951 109.5 50.7 -61.7 -49.0 21.8 -8.6 27.2 56 133 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.915 109.3 53.1 -55.1 -44.7 21.9 -11.1 24.2 57 134 A N H X S+ 0 0 62 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.918 108.3 49.6 -55.0 -46.6 20.5 -13.8 26.5 58 135 A Q H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 111.0 51.1 -55.7 -43.8 17.7 -11.4 27.4 59 136 A Y H X S+ 0 0 26 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.964 111.1 45.3 -59.5 -55.4 17.1 -10.8 23.7 60 137 A Y H <>S+ 0 0 11 -4,-2.9 5,-3.2 1,-0.3 6,-0.3 0.816 111.7 53.3 -62.7 -32.5 16.9 -14.5 22.8 61 138 A S H ><5S+ 0 0 56 -4,-2.1 3,-1.7 3,-0.2 -1,-0.3 0.892 104.0 55.7 -65.1 -40.7 14.7 -15.2 25.7 62 139 A S H 3<5S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.741 115.4 37.9 -70.3 -20.1 12.2 -12.5 24.7 63 140 A I T 3<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.189 116.2-118.0-107.0 15.2 11.9 -14.2 21.3 64 141 A K T < 5S+ 0 0 158 -3,-1.7 -3,-0.2 -5,-0.1 -4,-0.1 0.826 79.3 117.6 51.6 49.6 12.1 -17.7 22.9 65 142 A R > < + 0 0 140 -5,-3.2 3,-1.8 -6,-0.1 6,-0.4 -0.033 31.2 155.2-129.4 29.7 15.3 -19.0 21.2 66 143 A S T 3 S+ 0 0 73 -6,-0.3 3,-0.1 1,-0.3 -9,-0.0 -0.483 74.8 12.8 -68.4 117.2 17.6 -19.6 24.3 67 144 A G T 3 S+ 0 0 53 -2,-0.4 -1,-0.3 1,-0.3 5,-0.0 0.182 98.8 137.7 100.3 -12.3 20.3 -22.2 23.6 68 145 A S <> - 0 0 31 -3,-1.8 4,-2.2 1,-0.1 -1,-0.3 -0.030 68.5-113.9 -59.1 166.3 19.4 -22.0 19.8 69 146 A Q H > S+ 0 0 145 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 118.2 54.6 -74.4 -33.8 22.1 -21.9 17.2 70 147 A A H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 109.5 49.5 -66.4 -39.1 21.2 -18.3 16.2 71 148 A H H > S+ 0 0 9 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.927 112.6 44.8 -60.8 -52.9 21.7 -17.4 19.9 72 149 A E H X S+ 0 0 98 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.865 113.8 51.9 -66.3 -31.3 25.1 -19.0 20.2 73 150 A E H X S+ 0 0 95 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 107.9 50.9 -68.5 -44.2 26.2 -17.5 16.9 74 151 A R H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 107.6 53.0 -59.7 -42.0 25.2 -14.1 17.9 75 152 A L H X S+ 0 0 24 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.943 111.4 46.8 -55.6 -47.6 27.2 -14.4 21.1 76 153 A Q H X S+ 0 0 124 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.903 110.2 52.4 -61.6 -45.9 30.2 -15.4 19.1 77 154 A E H X S+ 0 0 95 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.844 110.7 49.9 -57.4 -38.8 29.7 -12.5 16.6 78 155 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 112.9 43.1 -69.5 -46.3 29.6 -10.1 19.6 79 156 A E H X S+ 0 0 68 -4,-2.3 4,-3.9 2,-0.2 -2,-0.2 0.902 112.7 54.4 -69.5 -37.6 32.8 -11.4 21.3 80 157 A A H X S+ 0 0 58 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.923 111.6 45.4 -52.8 -48.7 34.5 -11.4 17.9 81 158 A E H X S+ 0 0 54 -4,-1.8 4,-1.4 2,-0.2 6,-0.5 0.886 117.0 42.4 -67.3 -42.1 33.5 -7.8 17.4 82 159 A V H >X S+ 0 0 14 -4,-2.4 4,-3.2 4,-0.2 3,-0.7 0.967 108.7 62.7 -66.8 -48.6 34.6 -6.8 20.9 83 160 A A H 3< S+ 0 0 86 -4,-3.9 -2,-0.2 1,-0.2 -1,-0.2 0.830 116.3 27.7 -39.1 -47.6 37.7 -8.9 20.5 84 161 A S H 3< S+ 0 0 100 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.573 135.3 25.1-101.4 -9.3 39.0 -6.8 17.6 85 162 A T H << S- 0 0 76 -4,-1.4 -3,-0.2 -3,-0.7 -2,-0.2 0.527 91.3-122.1-127.2 -13.4 37.5 -3.3 18.2 86 163 A G S < S+ 0 0 46 -4,-3.2 -41,-0.3 -5,-0.3 2,-0.2 0.291 90.7 57.7 80.9 -10.4 36.8 -3.0 22.0 87 164 A T - 0 0 23 -6,-0.5 -2,-0.3 -5,-0.2 2,-0.3 -0.784 65.5-154.5-134.5 179.0 33.1 -2.4 21.2 88 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.910 13.6-125.9-147.1 178.8 30.2 -4.0 19.5 89 166 A H - 0 0 88 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.950 18.3-120.6-133.8 148.6 26.9 -2.9 17.8 90 167 A L - 0 0 8 -2,-0.3 2,-0.0 1,-0.1 179,-0.0 -0.662 23.0-119.6 -88.8 140.0 23.3 -3.9 18.2 91 168 A R > - 0 0 99 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.351 38.2-104.5 -59.5 158.4 21.0 -5.4 15.5 92 169 A E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 121.5 45.4 -53.4 -50.2 18.0 -3.2 14.8 93 170 A S H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.768 108.0 58.1 -74.4 -22.3 15.5 -5.4 16.7 94 171 A E H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 107.2 48.7 -65.4 -41.3 18.0 -5.7 19.6 95 172 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.940 111.1 48.7 -64.7 -44.9 17.9 -1.9 19.9 96 173 A V H X S+ 0 0 46 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.902 114.5 46.5 -60.0 -42.4 14.0 -1.9 19.8 97 174 A F H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 112.9 48.5 -67.4 -42.2 13.9 -4.6 22.5 98 175 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.868 109.7 51.5 -70.8 -37.5 16.5 -2.9 24.7 99 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.891 112.9 45.7 -62.6 -42.6 14.8 0.5 24.5 100 177 A K H X S+ 0 0 57 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.914 113.0 50.6 -67.0 -39.7 11.4 -1.1 25.5 101 178 A Q H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.890 105.8 55.3 -68.2 -36.3 13.1 -3.0 28.3 102 179 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 296,-0.5 0.913 111.3 44.3 -63.0 -43.1 14.8 0.1 29.6 103 180 A W H >< S+ 0 0 35 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.950 113.6 50.6 -60.1 -49.2 11.4 1.8 30.0 104 181 A R H 3< S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 111.1 50.3 -57.9 -35.6 10.0 -1.4 31.4 105 182 A N H 3< S+ 0 0 4 -4,-2.6 289,-0.3 -5,-0.2 -1,-0.3 0.647 80.0 115.3 -78.7 -11.9 12.9 -1.5 33.9 106 183 A A X< - 0 0 20 -3,-1.3 3,-1.9 -4,-0.8 6,-0.1 -0.430 48.8-164.2 -71.4 105.7 12.5 2.1 35.0 107 184 A P T 3 S+ 0 0 32 0, 0.0 262,-3.1 0, 0.0 -1,-0.2 0.672 84.7 54.5 -66.2 -18.6 11.5 2.1 38.8 108 185 A R T 3 S+ 0 0 54 260,-0.2 2,-0.7 264,-0.1 260,-0.1 0.493 85.1 99.2 -95.0 -2.9 10.4 5.7 38.8 109 186 A C X - 0 0 38 -3,-1.9 3,-0.7 -6,-0.2 264,-0.1 -0.750 42.7-177.9 -97.3 121.8 7.9 5.5 36.0 110 187 A V T 3 S+ 0 0 23 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.616 79.2 69.7 -83.3 -14.7 4.2 5.1 36.7 111 188 A G T > + 0 0 28 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.340 61.2 116.2 -84.7 10.0 3.3 4.9 33.0 112 189 A R G X + 0 0 0 -3,-0.7 3,-2.0 1,-0.3 4,-0.2 0.574 50.6 83.3 -67.0 -7.1 4.9 1.5 32.5 113 190 A I G 3 S+ 0 0 50 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.801 94.1 53.3 -60.2 -20.2 1.6 -0.3 31.6 114 191 A Q G X S+ 0 0 65 -3,-2.2 3,-2.8 1,-0.2 -1,-0.3 0.455 73.7 113.1 -92.6 -1.6 2.4 1.1 28.2 115 192 A W T < S+ 0 0 63 -3,-2.0 -1,-0.2 1,-0.3 -11,-0.2 0.719 70.5 58.0 -51.1 -35.7 6.0 -0.2 27.9 116 193 A G T 3 S+ 0 0 41 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.727 97.6 67.7 -66.2 -20.9 5.2 -2.6 25.0 117 194 A K < + 0 0 158 -3,-2.8 2,-0.4 -17,-0.1 34,-0.2 -0.806 66.5 131.8-110.3 92.2 4.0 0.2 22.8 118 195 A L - 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