==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/INHIBITOR 18-NOV-10 3PNH . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 806 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 11.0 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 . 7 0.9 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 . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 4 2 0 2 0 2 0 0 0 1 1 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 11 6 11 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 ANTIPARALLEL BRIDGES PER LADDER . 8 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 99 0, 0.0 5,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 169.8 7.0 -18.3 52.2 2 68 A P - 0 0 69 0, 0.0 2,-1.5 0, 0.0 4,-0.0 -0.076 360.0 -91.5 -69.1 169.7 10.2 -18.4 50.1 3 69 A K S S+ 0 0 189 14,-0.1 14,-0.0 2,-0.0 3,-0.0 -0.465 95.1 93.6 -88.0 64.2 13.6 -16.5 50.6 4 70 A F S S- 0 0 78 -2,-1.5 15,-0.1 17,-0.0 0, 0.0 -0.902 93.8 -72.6-143.8 154.4 12.6 -13.6 48.4 5 71 A P - 0 0 15 0, 0.0 13,-2.2 0, 0.0 2,-0.4 -0.278 43.1-132.3 -58.8 134.0 11.1 -10.4 49.7 6 72 A R E -A 17 0A 84 11,-0.2 2,-0.5 -5,-0.1 11,-0.2 -0.757 22.3-159.7 -83.1 133.9 7.4 -10.7 50.8 7 73 A V E -A 16 0A 11 9,-3.2 9,-2.2 -2,-0.4 2,-0.3 -0.969 7.9-166.0-123.1 119.6 5.4 -7.8 49.3 8 74 A K E -A 15 0A 43 -2,-0.5 380,-2.6 7,-0.2 2,-0.6 -0.810 19.9-149.1-112.4 145.1 2.1 -6.8 50.9 9 75 A N B > -B 387 0B 3 5,-2.5 4,-2.3 -2,-0.3 5,-0.3 -0.961 12.8-163.8-103.8 117.8 -0.9 -4.6 49.8 10 76 A W T 4 S+ 0 0 82 376,-3.0 377,-0.1 -2,-0.6 -1,-0.1 0.654 84.1 54.7 -84.2 -16.4 -2.4 -3.1 53.0 11 77 A E T 4 S+ 0 0 54 375,-0.4 -1,-0.2 372,-0.2 376,-0.1 0.899 124.3 22.5 -76.1 -45.4 -5.7 -2.1 51.5 12 78 A L T 4 S- 0 0 127 374,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.626 96.9-127.4-100.1 -14.8 -6.5 -5.5 50.1 13 79 A G < + 0 0 44 -4,-2.3 -3,-0.2 1,-0.2 2,-0.1 0.443 57.9 146.0 82.2 2.1 -4.4 -7.8 52.4 14 80 A S - 0 0 63 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.4 -0.381 31.9-155.4 -83.5 153.3 -2.8 -9.6 49.4 15 81 A I E +A 8 0A 68 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.959 15.6 169.9-131.1 140.2 0.7 -10.9 49.3 16 82 A T E -A 7 0A 51 -9,-2.2 -9,-3.2 -2,-0.4 2,-0.4 -0.876 25.8-129.9-136.6 169.4 3.3 -11.7 46.6 17 83 A Y E -A 6 0A 70 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.995 18.7-130.7-121.9 132.6 7.0 -12.5 46.6 18 84 A D + 0 0 5 -13,-2.2 347,-0.2 -2,-0.4 346,-0.1 -0.680 37.9 157.1 -85.9 110.8 9.5 -10.7 44.4 19 85 A T > + 0 0 57 345,-2.5 3,-1.2 -2,-0.9 4,-0.2 0.611 63.8 75.5 -98.9 -15.8 11.7 -13.2 42.6 20 86 A L G > S+ 0 0 12 344,-1.5 3,-2.7 1,-0.2 4,-0.3 0.837 79.3 72.8 -64.5 -29.0 12.6 -10.8 39.8 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.8 343,-0.3 -1,-0.2 0.753 81.4 72.9 -60.1 -23.4 15.1 -9.0 42.1 22 88 A A G < S+ 0 0 39 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 89.6 61.9 -57.4 -24.4 17.4 -12.0 41.8 23 89 A Q G < S+ 0 0 124 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.581 75.7 117.0 -81.0 -11.1 18.1 -10.8 38.3 24 90 A S < + 0 0 3 -3,-1.8 370,-0.2 -4,-0.3 3,-0.1 -0.380 35.4 176.3 -63.1 126.5 19.6 -7.5 39.5 25 91 A Q + 0 0 162 368,-0.6 2,-0.4 -2,-0.1 -1,-0.1 0.193 60.8 69.7-114.2 13.4 23.3 -7.2 38.5 26 92 A Q B S-C 393 0C 87 367,-0.7 367,-0.7 411,-0.1 2,-0.2 -0.995 76.1-128.5-139.0 131.5 23.8 -3.7 39.8 27 93 A D - 0 0 111 -2,-0.4 410,-0.2 365,-0.1 365,-0.1 -0.503 17.5-152.4 -74.6 136.1 23.9 -2.4 43.4 28 94 A G - 0 0 30 408,-3.7 -1,-0.1 -2,-0.2 410,-0.1 -0.172 38.5 -86.7 -88.0-163.1 21.7 0.5 44.6 29 95 A P S S+ 0 0 42 0, 0.0 2,-0.1 0, 0.0 408,-0.1 0.534 90.0 98.4 -89.0 -12.4 22.6 2.9 47.5 30 96 A C - 0 0 3 405,-0.3 5,-0.2 406,-0.2 -2,-0.1 -0.468 42.6-179.4 -82.2 152.8 21.1 1.0 50.5 31 97 A T - 0 0 43 3,-2.2 3,-0.4 404,-0.2 403,-0.4 -0.868 47.4 -99.5-131.1 170.0 22.9 -1.3 53.0 32 98 A P S S+ 0 0 46 0, 0.0 400,-3.9 0, 0.0 402,-0.2 0.849 123.8 55.8 -57.2 -29.3 21.6 -3.2 56.0 33 99 A R S S+ 0 0 104 398,-0.2 764,-0.4 1,-0.2 2,-0.3 0.831 121.0 7.6 -70.4 -36.9 22.9 -0.3 58.2 34 100 A R - 0 0 34 -3,-0.4 -3,-2.2 762,-0.1 2,-0.5 -0.984 61.9-133.2-155.1 136.2 21.0 2.5 56.4 35 101 A C B +D 795 0D 21 760,-2.9 760,-2.2 -2,-0.3 3,-0.2 -0.811 19.4 174.8 -87.2 128.3 18.3 3.0 53.8 36 102 A L > + 0 0 10 -2,-0.5 3,-1.8 758,-0.2 -1,-0.1 -0.020 39.5 124.2-117.1 28.1 19.0 5.7 51.1 37 103 A G T 3 + 0 0 20 1,-0.3 -1,-0.1 758,-0.1 334,-0.1 0.732 67.5 58.9 -64.1 -22.2 15.9 5.0 49.1 38 104 A S T 3 S+ 0 0 25 755,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.407 79.1 110.2 -87.4 1.6 14.7 8.6 49.3 39 105 A L < - 0 0 14 -3,-1.8 -3,-0.1 1,-0.1 372,-0.0 -0.650 59.5-149.2 -83.3 138.8 17.8 10.1 47.6 40 106 A V S S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.943 90.8 31.9 -70.9 -49.5 17.4 11.6 44.1 41 107 A L 0 0 69 1,-0.0 -1,-0.3 359,-0.0 0, 0.0 -0.924 360.0 360.0-108.2 109.4 20.9 10.8 42.9 42 108 A P 0 0 116 0, 0.0 -2,-0.1 0, 0.0 -14,-0.0 0.018 360.0 360.0 -95.3 360.0 22.2 7.7 44.5 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 0 130 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 115.3 37.2 -3.1 30.2 45 122 A A H > + 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 360.0 50.2 -60.1 -43.6 36.5 -6.0 27.7 46 123 A E H > S+ 0 0 138 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.828 110.0 50.8 -66.2 -37.4 35.4 -8.6 30.3 47 124 A Q H > S+ 0 0 105 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 114.3 43.2 -66.2 -46.3 32.9 -6.2 31.9 48 125 A L H X S+ 0 0 24 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.918 110.9 54.8 -64.4 -47.9 31.3 -5.3 28.5 49 126 A L H X S+ 0 0 27 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 108.5 47.9 -60.5 -39.0 31.2 -8.9 27.3 50 127 A S H X S+ 0 0 54 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.894 112.7 48.2 -72.7 -38.5 29.3 -10.2 30.3 51 128 A Q H X S+ 0 0 58 -4,-1.6 4,-2.1 2,-0.2 219,-0.2 0.897 114.2 48.3 -61.4 -41.3 26.8 -7.3 30.1 52 129 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.928 110.8 49.2 -63.7 -48.8 26.4 -8.1 26.3 53 130 A R H X S+ 0 0 91 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.933 111.5 50.1 -58.4 -47.5 26.0 -11.8 26.9 54 131 A D H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.923 112.5 46.6 -55.8 -48.2 23.4 -11.2 29.5 55 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 112.3 49.1 -63.9 -44.8 21.5 -8.8 27.1 56 133 A I H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.916 110.8 51.9 -61.0 -40.9 21.7 -11.3 24.2 57 134 A N H X S+ 0 0 64 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.906 109.7 50.0 -58.8 -42.8 20.4 -14.0 26.5 58 135 A Q H X S+ 0 0 42 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.899 110.9 48.9 -60.5 -42.8 17.6 -11.7 27.4 59 136 A Y H X S+ 0 0 25 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.937 111.9 46.7 -65.9 -47.0 16.8 -11.0 23.8 60 137 A Y H <>S+ 0 0 18 -4,-2.7 5,-3.3 1,-0.2 6,-0.5 0.842 110.7 54.0 -67.0 -30.3 16.8 -14.7 22.8 61 138 A S H ><5S+ 0 0 56 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.907 105.7 53.7 -62.8 -42.7 14.6 -15.5 25.9 62 139 A S H 3<5S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.712 114.2 40.5 -67.9 -24.4 12.1 -12.9 24.7 63 140 A I T 3<5S- 0 0 66 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.323 113.4-119.9-101.3 6.4 11.9 -14.5 21.3 64 141 A K T < 5S+ 0 0 156 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.845 82.3 115.6 60.6 40.3 11.9 -18.1 22.8 65 142 A R > < + 0 0 142 -5,-3.3 3,-1.7 -6,-0.1 6,-0.5 -0.061 36.1 153.0-125.7 29.2 15.1 -19.1 21.0 66 143 A S T 3 S+ 0 0 78 -6,-0.5 3,-0.1 1,-0.3 -9,-0.1 -0.424 71.1 8.5 -68.1 127.9 17.2 -19.5 24.1 67 144 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -2,-0.2 -10,-0.0 0.359 100.2 134.3 82.3 -4.0 20.0 -22.1 23.7 68 145 A S S <> S- 0 0 35 -3,-1.7 4,-2.5 1,-0.1 -1,-0.2 -0.131 73.6-104.8 -73.4 170.7 19.3 -22.4 19.9 69 146 A Q H > S+ 0 0 149 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 123.1 52.0 -61.0 -41.0 21.9 -22.3 17.2 70 147 A A H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 109.7 49.7 -62.6 -42.8 20.9 -18.7 16.3 71 148 A H H > S+ 0 0 7 -6,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.944 112.8 45.9 -57.7 -51.3 21.3 -17.7 19.9 72 149 A E H X S+ 0 0 91 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.860 112.9 50.5 -63.9 -37.6 24.8 -19.3 20.1 73 150 A E H X S+ 0 0 98 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.883 108.2 52.2 -68.6 -38.1 25.8 -17.8 16.8 74 151 A R H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.7 49.8 -61.6 -43.1 24.7 -14.3 18.0 75 152 A L H X S+ 0 0 22 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.906 111.0 49.0 -61.0 -44.0 26.9 -14.7 21.2 76 153 A Q H X S+ 0 0 129 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.827 110.5 51.5 -65.5 -34.6 29.9 -15.7 19.1 77 154 A E H X S+ 0 0 76 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 110.4 47.4 -70.2 -44.8 29.4 -12.8 16.8 78 155 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.952 112.5 50.7 -56.9 -48.8 29.2 -10.3 19.7 79 156 A E H X S+ 0 0 66 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.916 112.0 45.7 -59.5 -45.0 32.3 -11.8 21.3 80 157 A A H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.863 111.4 53.3 -66.0 -37.0 34.4 -11.6 18.0 81 158 A E H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 6,-0.5 0.950 114.1 41.7 -61.0 -48.7 33.2 -8.0 17.5 82 159 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 4,-0.2 -2,-0.2 0.919 110.2 59.5 -65.1 -43.8 34.4 -7.1 20.9 83 160 A A H < S+ 0 0 86 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.907 118.9 27.5 -48.1 -49.4 37.6 -9.1 20.5 84 161 A S H < S+ 0 0 101 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.693 135.5 24.7 -95.4 -19.3 38.6 -7.1 17.5 85 162 A T H < S- 0 0 72 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.502 91.8-121.8-120.9 -12.3 37.1 -3.6 18.0 86 163 A G S < S+ 0 0 48 -4,-2.3 2,-0.2 -5,-0.4 -4,-0.2 0.330 89.8 49.4 83.0 -10.3 36.5 -3.3 21.7 87 164 A T - 0 0 20 -6,-0.5 -2,-0.3 -5,-0.0 2,-0.3 -0.758 67.3-146.9-140.2-173.4 32.8 -2.8 21.1 88 165 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.949 13.6-123.2-151.3 176.1 29.8 -4.3 19.3 89 166 A H - 0 0 96 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.960 19.4-124.8-128.7 145.6 26.6 -3.2 17.6 90 167 A L - 0 0 8 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.637 23.0-119.6 -87.1 144.7 22.9 -4.1 18.1 91 168 A R > - 0 0 113 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.395 35.4-104.7 -71.3 156.7 20.6 -5.5 15.5 92 169 A E H > S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 121.8 46.1 -52.1 -47.8 17.6 -3.4 14.7 93 170 A S H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.804 109.0 55.6 -72.1 -25.6 15.2 -5.7 16.6 94 171 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.864 107.4 50.2 -69.8 -38.7 17.6 -6.0 19.6 95 172 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.927 111.0 48.7 -62.1 -47.1 17.5 -2.1 19.9 96 173 A V H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.937 114.5 45.1 -59.3 -47.6 13.7 -2.1 19.8 97 174 A F H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 113.8 50.2 -60.7 -45.8 13.6 -4.9 22.5 98 175 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 109.2 49.8 -64.6 -42.1 16.2 -3.2 24.6 99 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.926 112.3 46.4 -64.3 -44.0 14.6 0.2 24.6 100 177 A K H X S+ 0 0 57 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.874 112.8 52.3 -63.9 -35.2 11.1 -1.1 25.6 101 178 A Q H X S+ 0 0 9 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.899 104.4 54.5 -69.3 -41.8 12.9 -3.2 28.3 102 179 A A H X S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 296,-0.5 0.897 112.1 45.3 -55.6 -41.8 14.6 -0.1 29.7 103 180 A W H >< S+ 0 0 36 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.978 112.2 50.6 -65.3 -52.0 11.2 1.6 30.0 104 181 A R H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 111.9 49.4 -47.2 -40.9 9.7 -1.6 31.5 105 182 A N H 3< S+ 0 0 4 -4,-2.5 289,-0.4 291,-0.2 -1,-0.3 0.563 79.6 115.1 -79.5 -10.6 12.6 -1.7 34.0 106 183 A A X< - 0 0 22 -3,-1.9 3,-1.5 -4,-0.5 6,-0.1 -0.485 48.5-164.4 -73.4 103.0 12.3 2.1 35.1 107 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.2 0, 0.0 -1,-0.2 0.764 84.4 54.2 -61.8 -24.0 11.4 2.0 38.8 108 185 A R T 3 S+ 0 0 77 260,-0.2 2,-0.7 264,-0.1 260,-0.1 0.459 85.2 98.8 -90.6 -0.4 10.3 5.6 38.9 109 186 A C X - 0 0 36 -3,-1.5 3,-0.7 -6,-0.2 264,-0.1 -0.762 43.4-178.0 -98.7 114.7 7.8 5.4 36.0 110 187 A V T 3 S+ 0 0 22 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.623 78.5 70.7 -78.8 -9.7 4.1 5.1 36.9 111 188 A G T > + 0 0 28 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 0.320 60.6 117.4 -93.5 12.7 3.2 4.9 33.2 112 189 A R G X + 0 0 0 -3,-0.7 3,-2.2 1,-0.3 4,-0.2 0.586 50.7 82.7 -64.3 -12.7 4.7 1.4 32.6 113 190 A I G 3 S+ 0 0 59 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.785 94.1 52.3 -56.1 -23.9 1.4 -0.3 31.7 114 191 A Q G X S+ 0 0 61 -3,-2.1 3,-2.5 1,-0.2 -1,-0.3 0.364 75.6 114.9 -88.1 4.3 2.1 1.2 28.2 115 192 A W T < S+ 0 0 60 -3,-2.2 -1,-0.2 1,-0.3 -11,-0.2 0.753 71.2 53.5 -55.2 -35.2 5.7 -0.2 28.0 116 193 A G T 3 S+ 0 0 41 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.620 98.3 70.7 -75.4 -13.4 5.0 -2.6 25.1 117 194 A K < + 0 0 161 -3,-2.5 2,-0.4 -17,-0.1 34,-0.2 -0.836 65.5 130.6-108.5 84.8 3.6 0.3 23.0 118 195 A L - 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