==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-SEP-99 1D1V . COMPND 2 MOLECULE: BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,G.J.SOUTHAN,B.S.S.MASTERS,T.L.POUL . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.4 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 . 66 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 2 0 2 0 2 0 0 0 0 2 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 . 6 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 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.0 8.4 -19.2 53.5 2 68 A P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 4,-0.0 -0.198 360.0-123.5 -53.9 140.2 10.0 -18.2 50.1 3 69 A K S S+ 0 0 174 14,-0.1 3,-0.0 2,-0.0 14,-0.0 -0.068 84.0 86.2 -77.8 36.0 13.5 -16.9 50.3 4 70 A F S S- 0 0 62 -2,-0.9 15,-0.1 1,-0.0 0, 0.0 -0.901 94.2 -69.8-133.3 163.7 12.5 -13.6 48.6 5 71 A P - 0 0 10 0, 0.0 13,-2.1 0, 0.0 2,-0.6 -0.266 45.5-136.3 -54.8 130.3 11.0 -10.3 49.7 6 72 A R E -A 17 0A 118 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.828 22.0-161.8 -91.6 120.7 7.4 -10.7 50.9 7 73 A V E -A 16 0A 9 9,-3.4 9,-2.2 -2,-0.6 2,-0.4 -0.908 5.7-165.7-110.7 127.0 5.4 -7.8 49.4 8 74 A K E -A 15 0A 56 -2,-0.5 391,-2.1 7,-0.2 2,-0.7 -0.871 20.0-151.0-118.9 144.4 2.0 -6.8 50.8 9 75 A N B > -B 398 0B 4 5,-2.5 4,-2.1 -2,-0.4 5,-0.4 -0.942 12.4-163.1-105.6 113.3 -0.9 -4.7 49.7 10 76 A W T 4 S+ 0 0 83 387,-2.4 388,-0.1 -2,-0.7 -1,-0.1 0.567 84.4 56.7 -76.1 -7.9 -2.6 -3.3 52.9 11 77 A E T 4 S+ 0 0 63 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.912 122.8 22.2 -84.8 -49.8 -5.8 -2.4 51.1 12 78 A L T 4 S- 0 0 124 385,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.629 97.1-130.1 -91.7 -17.2 -6.6 -5.8 49.7 13 79 A G < + 0 0 47 -4,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.590 57.3 147.4 76.6 10.0 -4.5 -7.8 52.2 14 80 A S - 0 0 57 -5,-0.4 -5,-2.5 -6,-0.0 2,-0.3 -0.469 33.2-151.0 -81.5 152.1 -2.9 -9.7 49.3 15 81 A I E +A 8 0A 56 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.926 17.2 169.4-126.8 146.6 0.6 -11.0 49.3 16 82 A T E -A 7 0A 47 -9,-2.2 -9,-3.4 -2,-0.3 2,-0.4 -0.934 24.7-132.3-145.3 165.3 3.3 -11.6 46.6 17 83 A Y E -A 6 0A 63 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.988 17.3-134.1-124.7 133.3 7.0 -12.5 46.6 18 84 A D + 0 0 5 -13,-2.1 358,-0.2 -2,-0.4 357,-0.1 -0.769 35.6 158.2 -91.4 111.0 9.5 -10.7 44.4 19 85 A T > + 0 0 58 356,-2.5 3,-1.5 -2,-0.8 4,-0.2 0.617 64.7 75.4-101.4 -18.3 11.9 -13.1 42.7 20 86 A L G > S+ 0 0 14 355,-1.4 3,-3.0 1,-0.3 4,-0.3 0.851 80.8 70.0 -62.0 -34.6 12.8 -10.8 39.9 21 87 A C G > S+ 0 0 9 1,-0.3 3,-1.4 354,-0.3 -1,-0.3 0.734 83.8 72.4 -56.5 -20.6 15.1 -8.8 42.3 22 88 A A G < S+ 0 0 39 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 90.3 61.1 -66.9 -16.9 17.4 -11.9 42.2 23 89 A Q G < S+ 0 0 119 -3,-3.0 -1,-0.3 -4,-0.2 -2,-0.2 0.583 74.6 118.5 -86.1 -13.3 18.2 -10.8 38.7 24 90 A S < - 0 0 0 -3,-1.4 381,-0.2 -4,-0.3 3,-0.1 -0.327 37.0-179.1 -59.3 132.9 19.7 -7.4 39.7 25 91 A Q + 0 0 144 379,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.394 62.7 66.5-111.5 -3.5 23.3 -7.2 38.7 26 92 A Q B S-C 404 0C 56 378,-0.8 378,-0.7 422,-0.1 2,-0.2 -0.976 77.6-125.3-128.0 135.8 23.9 -3.7 40.1 27 93 A D - 0 0 85 -2,-0.4 421,-0.2 376,-0.1 18,-0.1 -0.456 18.6-149.0 -78.0 144.8 23.8 -2.4 43.7 28 94 A G - 0 0 18 419,-4.2 -1,-0.1 418,-0.2 421,-0.1 -0.150 35.7 -90.0 -93.8-165.3 21.7 0.4 44.8 29 95 A P S S+ 0 0 36 0, 0.0 2,-0.1 0, 0.0 14,-0.1 0.577 90.5 96.4 -87.6 -11.7 22.4 2.9 47.6 30 96 A C - 0 0 3 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.410 45.0-179.9 -83.6 158.1 20.9 1.1 50.6 31 97 A T - 0 0 40 3,-1.9 3,-0.4 415,-0.2 414,-0.3 -0.929 47.5 -98.4-145.3 163.8 22.6 -1.2 53.2 32 98 A P S S+ 0 0 47 0, 0.0 411,-4.3 0, 0.0 413,-0.2 0.798 123.4 56.4 -56.4 -25.9 21.4 -3.2 56.2 33 99 A R S S+ 0 0 81 1,-0.2 786,-0.4 409,-0.2 2,-0.3 0.871 121.0 1.5 -75.1 -41.5 22.7 -0.2 58.3 34 100 A R - 0 0 31 -3,-0.4 -3,-1.9 784,-0.1 2,-0.5 -0.985 61.5-129.3-155.3 143.2 20.7 2.6 56.6 35 101 A C B +D 817 0D 19 782,-3.0 782,-2.0 -2,-0.3 3,-0.2 -0.773 19.0 176.6 -92.1 127.3 18.1 3.1 53.9 36 102 A L > + 0 0 9 -2,-0.5 3,-1.9 780,-0.2 -1,-0.1 0.015 39.8 125.5-116.0 25.9 18.8 5.8 51.3 37 103 A G T 3 + 0 0 22 1,-0.3 345,-0.2 780,-0.1 -1,-0.1 0.665 66.6 59.0 -60.0 -18.7 15.7 5.2 49.3 38 104 A S T 3 S+ 0 0 23 777,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.413 78.5 110.8 -92.7 1.9 14.5 8.8 49.5 39 105 A L < - 0 0 11 -3,-1.9 -3,-0.1 1,-0.1 383,-0.0 -0.646 57.5-152.6 -82.1 130.6 17.6 10.2 47.8 40 106 A V S S+ 0 0 34 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.934 89.6 18.4 -64.8 -50.2 17.1 11.7 44.3 41 107 A L S S+ 0 0 47 2,-0.0 -1,-0.2 4,-0.0 2,-0.2 -0.577 71.1 177.5-125.4 72.8 20.6 11.1 43.1 42 108 A P > - 0 0 31 0, 0.0 2,-2.1 0, 0.0 4,-0.5 -0.558 44.5-109.9 -72.6 140.5 22.5 8.5 45.3 43 109 A R T 4 S+ 0 0 122 -2,-0.2 -2,-0.0 1,-0.1 -15,-0.0 -0.394 92.3 83.3 -77.7 70.9 25.9 8.2 43.6 44 110 A K T 4 S+ 0 0 118 -2,-2.1 -1,-0.1 -18,-0.0 -16,-0.1 0.461 90.7 31.8-123.7 -90.6 25.7 4.7 42.2 45 111 A L T 4 S+ 0 0 54 -18,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.869 84.4 129.8 -36.0 -54.3 23.9 4.3 38.8 46 112 A Q < - 0 0 22 -4,-0.5 2,-2.3 1,-0.2 366,-0.2 0.374 58.9-141.9 -9.7 97.3 25.3 7.8 38.0 47 113 A T - 0 0 17 364,-2.8 -1,-0.2 229,-0.0 3,-0.1 -0.439 25.4-171.6 -75.9 71.7 26.9 7.2 34.6 48 114 A R - 0 0 154 -2,-2.3 2,-0.1 364,-0.2 364,-0.0 -0.331 41.2 -82.2 -63.2 143.1 29.9 9.4 35.1 49 115 A P - 0 0 72 0, 0.0 -1,-0.2 0, 0.0 363,-0.0 -0.273 45.0-173.4 -52.9 116.5 32.0 10.0 32.0 50 116 A S + 0 0 56 1,-0.2 -2,-0.0 -2,-0.1 -3,-0.0 -0.635 10.0 175.0-113.4 71.1 34.3 7.0 31.6 51 117 A P + 0 0 89 0, 0.0 122,-0.7 0, 0.0 -1,-0.2 0.904 52.9 72.2 -38.0 -90.3 36.5 8.1 28.6 52 118 A G S S- 0 0 54 120,-0.1 0, 0.0 1,-0.1 0, 0.0 0.000 106.9 -81.8 -35.5 129.9 39.2 5.5 28.2 53 119 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.076 52.8-107.1 -37.5 142.7 37.6 2.3 26.7 54 120 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 5,-0.0 -0.340 45.2 -77.5 -75.5 156.4 35.8 0.0 29.2 55 121 A P >> - 0 0 88 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.359 36.0-143.0 -56.5 116.3 37.2 -3.4 30.4 56 122 A A H 3> S+ 0 0 52 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.844 103.9 54.9 -49.9 -35.7 36.5 -5.8 27.6 57 123 A E H 3> S+ 0 0 175 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.908 109.8 46.2 -64.9 -41.6 35.9 -8.4 30.3 58 124 A Q H <> S+ 0 0 113 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.947 115.3 44.8 -65.0 -51.7 33.3 -6.1 31.9 59 125 A L H X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.900 109.6 56.3 -60.5 -44.6 31.5 -5.2 28.6 60 126 A L H X S+ 0 0 19 -4,-2.6 4,-3.3 -5,-0.3 5,-0.2 0.910 106.1 50.0 -55.1 -47.1 31.5 -8.8 27.4 61 127 A S H X S+ 0 0 61 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.930 114.5 43.7 -58.8 -49.1 29.7 -10.0 30.5 62 128 A Q H X S+ 0 0 65 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.892 114.2 52.4 -63.6 -40.0 27.0 -7.3 30.2 63 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.947 109.4 47.2 -62.4 -49.4 26.8 -8.0 26.5 64 130 A R H X S+ 0 0 89 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.913 110.5 53.6 -59.7 -42.1 26.3 -11.7 26.9 65 131 A D H X S+ 0 0 49 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.6 46.2 -58.8 -45.6 23.6 -11.1 29.5 66 132 A F H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 110.6 51.8 -64.6 -45.0 21.7 -8.8 27.2 67 133 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.894 110.1 50.7 -59.0 -38.5 21.9 -11.2 24.2 68 134 A N H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.917 109.4 50.3 -64.0 -43.0 20.6 -13.9 26.5 69 135 A Q H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 111.6 50.1 -59.7 -44.0 17.7 -11.6 27.5 70 136 A Y H X S+ 0 0 27 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.955 113.2 42.2 -60.2 -53.9 17.1 -10.9 23.8 71 137 A Y H <>S+ 0 0 19 -4,-2.8 5,-3.2 1,-0.2 6,-0.3 0.825 112.8 55.2 -64.7 -29.2 17.0 -14.6 22.7 72 138 A S H ><5S+ 0 0 56 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.886 104.2 55.5 -68.1 -39.3 14.9 -15.4 25.8 73 139 A S H 3<5S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 112.0 41.2 -66.9 -28.1 12.4 -12.8 24.8 74 140 A I T 3<5S- 0 0 70 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.237 116.2-115.1-103.3 13.4 11.9 -14.4 21.3 75 141 A K T < 5S+ 0 0 151 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.856 84.6 112.6 58.1 44.2 11.9 -17.9 22.8 76 142 A R > < + 0 0 147 -5,-3.2 3,-1.7 -6,-0.1 6,-0.4 -0.075 35.4 154.3-132.9 33.0 15.1 -19.1 21.1 77 143 A S T 3 S+ 0 0 71 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.423 71.5 14.8 -65.7 135.3 17.4 -19.5 24.1 78 144 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -2,-0.1 -10,-0.0 0.395 98.0 134.8 82.2 -3.3 20.2 -22.0 23.6 79 145 A S S <> S- 0 0 35 -3,-1.7 4,-2.5 1,-0.1 -1,-0.2 -0.190 71.4-106.6 -75.0 169.5 19.5 -22.1 19.8 80 146 A Q H > S+ 0 0 147 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 122.2 51.6 -60.4 -47.6 22.2 -22.0 17.0 81 147 A A H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 110.1 51.0 -56.9 -40.0 21.3 -18.4 16.2 82 148 A H H > S+ 0 0 11 -6,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.958 112.8 43.4 -63.2 -52.2 21.7 -17.5 19.9 83 149 A E H X S+ 0 0 97 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.836 114.7 51.2 -63.3 -34.1 25.1 -19.1 20.1 84 150 A E H X S+ 0 0 91 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.898 108.9 49.8 -71.0 -40.3 26.2 -17.6 16.8 85 151 A R H X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.3 51.5 -64.4 -40.4 25.1 -14.1 17.9 86 152 A L H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.914 109.9 49.5 -60.8 -43.3 27.0 -14.6 21.2 87 153 A Q H X S+ 0 0 123 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.911 109.4 51.7 -61.8 -44.7 30.1 -15.6 19.1 88 154 A E H X S+ 0 0 78 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.904 109.8 48.9 -59.9 -44.3 29.8 -12.5 16.9 89 155 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.912 112.7 47.6 -63.3 -43.1 29.6 -10.1 19.8 90 156 A E H X S+ 0 0 82 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.870 114.4 47.1 -66.2 -36.8 32.6 -11.7 21.5 91 157 A A H X S+ 0 0 58 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.899 112.2 49.6 -70.8 -42.0 34.5 -11.5 18.2 92 158 A E H X S+ 0 0 45 -4,-2.8 4,-2.6 2,-0.2 6,-0.5 0.909 114.4 43.5 -64.5 -43.3 33.5 -7.9 17.5 93 159 A V H X S+ 0 0 5 -4,-2.4 4,-2.0 4,-0.2 -1,-0.2 0.881 109.9 59.8 -68.8 -36.2 34.5 -6.8 21.0 94 160 A A H < S+ 0 0 86 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.849 118.2 27.4 -59.5 -37.9 37.7 -8.8 20.7 95 161 A S H < S+ 0 0 97 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.768 135.9 26.1 -98.5 -29.3 38.8 -6.9 17.6 96 162 A T H < S- 0 0 75 -4,-2.6 -3,-0.2 2,-0.4 -2,-0.2 0.527 95.7-122.4-111.4 -10.1 37.2 -3.5 18.0 97 163 A G S < S+ 0 0 32 -4,-2.0 2,-0.2 -5,-0.4 -4,-0.2 0.254 89.5 42.4 87.0 -14.6 36.8 -3.3 21.8 98 164 A T S S- 0 0 22 -6,-0.5 -2,-0.4 -45,-0.1 2,-0.3 -0.760 71.1-143.6-144.3-171.5 33.1 -2.7 21.4 99 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.929 11.7-119.2-153.4 174.7 30.2 -4.1 19.4 100 166 A H - 0 0 97 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.920 21.0-122.5-126.3 152.0 26.9 -3.0 17.7 101 167 A L - 0 0 8 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.664 23.2-119.3 -93.4 145.4 23.3 -4.0 18.2 102 168 A R >> - 0 0 103 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.399 35.5-105.4 -73.8 159.3 21.0 -5.4 15.6 103 169 A E H 3> S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.915 121.6 46.9 -50.1 -51.4 17.9 -3.3 14.8 104 170 A S H 3> S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.756 109.0 55.6 -66.2 -25.9 15.6 -5.7 16.6 105 171 A E H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.890 106.4 50.1 -74.5 -38.4 17.9 -5.8 19.6 106 172 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.906 110.6 50.2 -65.1 -40.9 17.9 -2.0 20.0 107 173 A V H X S+ 0 0 47 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.912 113.5 45.6 -62.6 -43.4 14.1 -2.0 19.9 108 174 A F H X S+ 0 0 30 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.927 113.7 49.0 -65.6 -46.4 13.9 -4.7 22.5 109 175 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.901 109.0 52.1 -61.7 -42.5 16.5 -3.0 24.7 110 176 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.930 112.5 45.3 -60.9 -45.9 14.8 0.4 24.5 111 177 A K H X S+ 0 0 55 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.905 112.2 51.8 -64.5 -40.8 11.4 -1.1 25.6 112 178 A Q H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 104.6 57.4 -63.0 -37.3 13.1 -3.1 28.4 113 179 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 296,-0.5 0.918 110.6 42.9 -59.2 -44.2 14.8 0.0 29.7 114 180 A W H >< S+ 0 0 35 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.957 112.7 53.0 -65.6 -49.5 11.4 1.6 30.1 115 181 A R H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.6 48.7 -53.1 -38.0 10.0 -1.6 31.5 116 182 A N H 3< S+ 0 0 4 -4,-2.7 289,-0.3 291,-0.2 -1,-0.3 0.595 79.3 117.4 -81.8 -10.6 12.8 -1.6 34.1 117 183 A A X< - 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