==== 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 28-AUG-00 1FOL . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,B.S.MASTERS,T.L.POULOS . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.6 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 0.8 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 . 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 . 71 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 1 1 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 . 2 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 10 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 ANTIPARALLEL BRIDGES PER LADDER . 6 6 0 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 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 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.9 8.6 -19.3 53.1 2 68 A P - 0 0 59 0, 0.0 2,-1.2 0, 0.0 4,-0.0 -0.239 360.0-126.3 -54.8 140.5 10.0 -18.2 49.7 3 69 A K S S+ 0 0 171 14,-0.1 14,-0.0 2,-0.0 3,-0.0 -0.322 79.9 87.2 -87.7 52.5 13.5 -16.6 50.0 4 70 A F S S- 0 0 65 -2,-1.2 15,-0.1 17,-0.0 0, 0.0 -0.936 95.1 -65.7-141.5 161.5 12.6 -13.4 48.1 5 71 A P - 0 0 9 0, 0.0 13,-1.8 0, 0.0 2,-0.7 -0.222 47.2-138.2 -52.6 133.3 11.1 -10.1 49.3 6 72 A R E -A 17 0A 106 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.869 21.9-165.1 -97.2 118.5 7.5 -10.6 50.5 7 73 A V E -A 16 0A 8 9,-3.0 9,-1.9 -2,-0.7 2,-0.4 -0.887 2.6-164.2-109.1 133.4 5.4 -7.7 49.2 8 74 A K E -A 15 0A 56 -2,-0.4 391,-2.2 7,-0.2 2,-0.7 -0.904 18.3-148.3-121.5 146.0 1.9 -6.9 50.6 9 75 A N E >> -AB 14 398A 1 5,-2.6 4,-1.8 -2,-0.4 5,-0.6 -0.931 12.5-163.4-107.5 107.4 -1.0 -4.8 49.4 10 76 A W T 45S+ 0 0 78 387,-2.1 388,-0.1 -2,-0.7 -1,-0.1 0.610 84.5 58.0 -68.2 -12.9 -2.6 -3.5 52.5 11 77 A E T 45S+ 0 0 63 386,-0.4 -1,-0.2 383,-0.2 387,-0.1 0.931 122.8 22.0 -80.1 -48.4 -5.8 -2.5 50.7 12 78 A L T 45S- 0 0 121 385,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.463 98.0-130.9 -95.9 -6.4 -6.6 -6.0 49.4 13 79 A G T <5 + 0 0 44 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.623 58.0 146.3 65.1 11.9 -4.5 -7.8 52.0 14 80 A S E < -A 9 0A 55 -5,-0.6 -5,-2.6 -6,-0.0 2,-0.3 -0.439 35.1-149.0 -83.4 156.8 -2.9 -9.8 49.2 15 81 A I E +A 8 0A 55 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.886 16.7 171.0-125.3 152.2 0.7 -11.0 49.1 16 82 A T E -A 7 0A 48 -9,-1.9 -9,-3.0 -2,-0.3 2,-0.5 -0.969 25.2-129.1-152.6 162.0 3.3 -11.7 46.3 17 83 A Y E -A 6 0A 60 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.973 14.1-140.8-121.7 128.4 7.0 -12.5 46.1 18 84 A D + 0 0 6 -13,-1.8 358,-0.2 -2,-0.5 357,-0.1 -0.775 33.9 157.5 -89.6 109.3 9.4 -10.5 43.9 19 85 A T > + 0 0 58 356,-2.2 3,-1.2 -2,-0.8 4,-0.2 0.526 62.5 79.7-104.0 -12.4 11.9 -13.0 42.4 20 86 A L G > S+ 0 0 1 355,-0.9 3,-2.0 1,-0.3 4,-0.2 0.810 78.9 67.8 -64.5 -31.4 12.7 -10.6 39.6 21 87 A C G > S+ 0 0 4 1,-0.3 3,-1.9 354,-0.2 -1,-0.3 0.733 83.4 74.2 -62.8 -21.1 15.0 -8.7 41.8 22 88 A A G < S+ 0 0 51 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 91.1 58.5 -63.7 -20.8 17.3 -11.7 41.8 23 89 A Q G < S+ 0 0 130 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.473 77.4 113.5 -88.2 -4.4 18.2 -10.7 38.2 24 90 A S < + 0 0 2 -3,-1.9 381,-0.2 -4,-0.2 3,-0.0 -0.550 37.3 176.7 -70.3 126.0 19.4 -7.3 39.2 25 91 A Q + 0 0 137 379,-0.4 2,-0.5 -2,-0.3 -1,-0.2 0.404 58.1 78.3-109.7 0.5 23.2 -7.0 38.5 26 92 A Q B S-C 404 0B 43 378,-0.8 378,-0.7 422,-0.1 -1,-0.1 -0.940 76.9-129.9-117.4 122.6 23.6 -3.4 39.5 27 93 A D - 0 0 91 -2,-0.5 421,-0.2 376,-0.1 -2,-0.1 -0.336 18.2-149.5 -68.5 145.1 23.7 -2.3 43.1 28 94 A G - 0 0 13 419,-4.7 -1,-0.1 418,-0.1 421,-0.1 -0.152 34.8 -88.1 -96.1-163.6 21.5 0.6 44.4 29 95 A P S S+ 0 0 32 0, 0.0 419,-0.1 0, 0.0 14,-0.1 0.585 90.3 93.7 -89.2 -8.8 22.3 3.1 47.1 30 96 A C - 0 0 4 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.303 45.0-176.2 -85.1 167.4 21.0 1.2 50.2 31 97 A T - 0 0 42 3,-1.7 414,-0.3 415,-0.2 3,-0.2 -0.948 45.9 -99.1-150.8 160.2 22.7 -1.1 52.8 32 98 A P S S+ 0 0 47 0, 0.0 411,-4.5 0, 0.0 413,-0.2 0.783 122.4 57.3 -55.8 -25.1 21.4 -3.1 55.7 33 99 A R S S+ 0 0 98 1,-0.2 786,-0.6 409,-0.2 2,-0.3 0.938 121.4 2.6 -72.9 -48.5 22.6 -0.2 57.9 34 100 A R E -D 818 0C 34 -3,-0.2 -3,-1.7 784,-0.1 2,-0.5 -0.999 63.1-130.8-146.6 145.2 20.7 2.6 56.3 35 101 A C E +D 817 0C 22 782,-3.0 782,-2.0 -2,-0.3 3,-0.2 -0.801 17.6 178.3 -94.6 126.1 18.1 3.1 53.5 36 102 A L > + 0 0 10 -2,-0.5 3,-1.6 780,-0.2 -1,-0.1 -0.033 40.0 125.5-113.5 28.0 18.8 5.9 51.0 37 103 A G T 3 + 0 0 22 1,-0.3 -1,-0.1 780,-0.1 779,-0.1 0.740 64.8 61.2 -59.6 -28.0 15.7 5.2 48.9 38 104 A S T 3 S+ 0 0 24 777,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.582 77.4 111.6 -78.3 -9.9 14.4 8.8 49.1 39 105 A L < - 0 0 14 -3,-1.6 383,-0.1 776,-0.2 -3,-0.0 -0.458 54.6-157.4 -68.8 134.1 17.5 10.2 47.3 40 106 A V S S+ 0 0 29 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.935 87.7 26.2 -74.5 -51.1 16.8 11.6 43.9 41 107 A L S S- 0 0 57 2,-0.0 2,-0.4 3,-0.0 -1,-0.3 -0.726 75.9-178.4-116.2 78.9 20.4 11.4 42.5 42 108 A P > - 0 0 17 0, 0.0 2,-3.2 0, 0.0 4,-0.6 -0.669 39.9-115.3 -79.7 128.6 22.1 8.6 44.4 43 109 A R T 4 S+ 0 0 136 -2,-0.4 -2,-0.0 1,-0.2 -15,-0.0 -0.332 93.1 88.7 -63.4 74.3 25.7 8.4 43.1 44 110 A K T 4 S+ 0 0 98 -2,-3.2 -1,-0.2 -18,-0.0 -17,-0.1 0.467 87.4 27.8-130.3 -81.3 25.1 4.9 41.7 45 111 A L T 4 S+ 0 0 47 -3,-0.4 -2,-0.1 2,-0.1 365,-0.0 0.744 85.1 137.8 -61.4 -23.7 23.8 4.6 38.2 46 112 A Q < - 0 0 32 -4,-0.6 2,-2.2 1,-0.2 366,-0.2 0.060 49.5-149.1 -30.0 94.3 25.6 7.9 37.5 47 113 A T - 0 0 14 364,-1.6 -1,-0.2 229,-0.0 3,-0.1 -0.467 17.9-162.8 -75.4 74.7 27.2 7.2 34.1 48 114 A R - 0 0 137 -2,-2.2 2,-0.6 1,-0.2 364,-0.0 -0.245 37.8 -86.8 -58.4 143.4 30.2 9.4 34.6 49 115 A P - 0 0 74 0, 0.0 -1,-0.2 0, 0.0 363,-0.0 -0.374 47.9-167.8 -57.8 104.0 32.0 10.3 31.3 50 116 A S + 0 0 65 -2,-0.6 -2,-0.0 1,-0.2 -3,-0.0 -0.756 11.5 175.3-100.3 87.1 34.4 7.3 30.9 51 117 A P + 0 0 101 0, 0.0 122,-1.1 0, 0.0 -1,-0.2 0.930 58.3 78.3 -54.9 -57.5 36.8 8.3 28.2 52 118 A G S S- 0 0 50 1,-0.1 0, 0.0 120,-0.1 0, 0.0 -0.366 103.8 -91.8 -58.8 132.0 39.1 5.2 28.3 53 119 A P - 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.096 50.8 -96.6 -46.4 138.8 37.4 2.3 26.5 54 120 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 5,-0.0 -0.301 51.0 -84.0 -61.6 140.0 35.3 0.1 28.8 55 121 A P >> - 0 0 82 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.234 37.6-141.0 -47.5 103.0 37.0 -3.1 30.2 56 122 A A H 3> S+ 0 0 56 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.776 102.4 56.5 -38.2 -33.7 36.4 -5.5 27.3 57 123 A E H 3> S+ 0 0 176 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.925 109.9 41.7 -68.5 -45.4 35.8 -8.1 30.0 58 124 A Q H <> S+ 0 0 99 -3,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.937 117.3 47.7 -66.6 -48.2 33.0 -6.1 31.7 59 125 A L H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.914 108.4 54.6 -59.6 -46.2 31.4 -5.0 28.4 60 126 A L H X S+ 0 0 29 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.918 109.0 47.2 -55.9 -47.3 31.4 -8.5 27.0 61 127 A S H X S+ 0 0 68 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.875 112.9 48.7 -65.2 -36.3 29.6 -9.9 30.0 62 128 A Q H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 113.5 48.8 -68.6 -35.9 27.0 -7.1 29.8 63 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.904 109.3 50.0 -68.6 -44.3 26.7 -7.8 26.1 64 130 A R H X S+ 0 0 97 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.808 109.7 54.7 -65.0 -27.8 26.2 -11.5 26.5 65 131 A D H X S+ 0 0 48 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.952 109.4 44.2 -70.9 -50.2 23.6 -10.8 29.1 66 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.913 111.3 53.7 -61.4 -43.7 21.5 -8.6 26.8 67 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.906 108.8 49.6 -58.5 -40.2 21.8 -11.0 23.9 68 134 A N H X S+ 0 0 61 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.906 109.7 52.4 -62.5 -41.7 20.5 -13.8 26.1 69 135 A Q H X S+ 0 0 42 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.882 110.9 48.3 -61.1 -40.3 17.7 -11.4 27.1 70 136 A Y H X S+ 0 0 30 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.963 111.9 44.4 -67.9 -53.4 16.9 -10.8 23.5 71 137 A Y H <>S+ 0 0 8 -4,-2.6 5,-3.1 1,-0.2 6,-0.4 0.804 112.6 55.7 -62.6 -26.9 16.8 -14.4 22.2 72 138 A S H ><5S+ 0 0 62 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.920 103.0 53.1 -69.5 -45.2 14.8 -15.3 25.3 73 139 A S H 3<5S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 113.7 44.6 -64.4 -20.3 12.1 -12.7 24.5 74 140 A I T 3<5S- 0 0 61 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.317 115.8-118.0-104.2 6.7 11.9 -14.3 21.0 75 141 A K T < 5S+ 0 0 147 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.894 84.5 109.0 61.6 46.5 11.9 -17.8 22.5 76 142 A R > < + 0 0 145 -5,-3.1 3,-2.0 -6,-0.1 6,-0.4 -0.018 36.0 153.0-138.5 27.8 15.1 -19.0 20.8 77 143 A S T 3 S+ 0 0 84 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.400 73.7 15.8 -62.7 133.8 17.4 -19.2 23.8 78 144 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -2,-0.1 -10,-0.0 0.394 99.1 131.4 83.2 -4.3 20.1 -21.8 23.2 79 145 A S S <> S- 0 0 37 -3,-2.0 4,-2.1 1,-0.1 -1,-0.2 -0.158 73.6-102.3 -75.5 173.9 19.4 -21.9 19.4 80 146 A Q H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 122.0 51.8 -65.0 -40.1 21.9 -21.7 16.6 81 147 A A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 109.7 52.2 -64.4 -36.4 21.1 -18.1 15.8 82 148 A H H > S+ 0 0 6 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.941 111.7 42.5 -64.9 -51.8 21.6 -17.2 19.5 83 149 A E H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.873 115.3 50.8 -65.0 -37.1 25.1 -18.8 19.9 84 150 A E H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.889 110.6 48.2 -68.3 -39.0 26.2 -17.4 16.6 85 151 A R H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.912 109.7 53.8 -66.0 -41.3 25.1 -13.9 17.6 86 152 A L H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 110.0 47.0 -58.9 -40.7 26.9 -14.4 20.8 87 153 A Q H X S+ 0 0 129 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.875 108.5 56.1 -67.2 -39.0 30.1 -15.3 18.9 88 154 A E H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.849 107.5 48.5 -61.8 -38.7 29.5 -12.2 16.6 89 155 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.952 112.9 45.5 -68.3 -51.5 29.5 -9.9 19.6 90 156 A E H X S+ 0 0 70 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.928 114.0 51.0 -58.1 -46.1 32.6 -11.2 21.3 91 157 A A H X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.977 111.7 46.0 -54.2 -60.9 34.4 -11.2 17.9 92 158 A E H X S+ 0 0 48 -4,-2.4 4,-1.0 1,-0.3 6,-0.5 0.828 114.9 47.2 -53.2 -37.3 33.4 -7.6 17.2 93 159 A V H X S+ 0 0 6 -4,-2.4 4,-1.8 3,-0.2 -1,-0.3 0.849 108.2 57.6 -74.2 -32.2 34.4 -6.5 20.7 94 160 A A H < S+ 0 0 89 -4,-2.6 -2,-0.2 -3,-0.3 -1,-0.2 0.900 117.5 30.7 -63.1 -43.2 37.7 -8.5 20.3 95 161 A S H < S+ 0 0 100 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.445 136.2 23.0 -97.9 -3.0 38.8 -6.6 17.2 96 162 A T H < S- 0 0 79 -4,-1.0 -3,-0.2 2,-0.3 -2,-0.2 0.477 93.2-121.9-137.5 -13.2 37.2 -3.1 17.9 97 163 A G S < S+ 0 0 27 -4,-1.8 -4,-0.2 -5,-0.3 2,-0.2 0.080 90.0 44.0 91.3 -26.0 36.6 -2.9 21.6 98 164 A T - 0 0 23 -6,-0.5 -1,-0.3 -45,-0.0 -2,-0.3 -0.509 69.8-147.4-130.2-163.2 32.9 -2.3 21.2 99 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.954 12.8-117.3-162.2 173.2 30.0 -3.8 19.1 100 166 A H - 0 0 99 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.909 19.3-124.7-125.8 153.9 26.7 -2.9 17.5 101 167 A L - 0 0 8 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.719 24.1-118.6 -96.6 143.9 23.1 -3.9 17.9 102 168 A R >> - 0 0 105 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.388 35.4-105.1 -73.0 158.1 20.8 -5.2 15.3 103 169 A E H 3> S+ 0 0 138 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.942 121.8 45.4 -47.6 -58.0 17.7 -3.1 14.5 104 170 A S H 3> S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.708 109.4 57.4 -62.3 -20.9 15.3 -5.4 16.3 105 171 A E H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.903 105.9 49.0 -76.7 -40.1 17.7 -5.7 19.2 106 172 A L H X S+ 0 0 1 -4,-2.2 4,-3.2 -3,-0.3 5,-0.2 0.964 111.0 49.8 -61.7 -51.0 17.6 -1.9 19.6 107 173 A V H X S+ 0 0 43 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.909 112.1 48.7 -52.9 -46.9 13.8 -1.9 19.5 108 174 A F H X S+ 0 0 28 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.950 114.1 44.7 -59.6 -51.3 13.6 -4.6 22.1 109 175 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.913 107.9 56.5 -61.8 -46.0 16.1 -3.0 24.5 110 176 A A H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.947 111.7 44.9 -51.7 -47.6 14.5 0.5 24.2 111 177 A K H X S+ 0 0 55 -4,-2.0 4,-3.3 -5,-0.2 -1,-0.2 0.895 111.0 52.4 -64.4 -40.2 11.3 -1.1 25.3 112 178 A Q H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.934 105.1 56.4 -61.3 -44.0 12.9 -3.0 28.1 113 179 A A H X S+ 0 0 0 -4,-3.1 4,-1.0 2,-0.2 296,-0.4 0.917 112.4 40.9 -52.6 -47.5 14.5 0.1 29.4 114 180 A W H >< S+ 0 0 34 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.970 113.6 54.1 -64.1 -51.4 11.1 1.8 29.7 115 181 A R H 3< S+ 0 0 30 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.830 112.3 45.6 -50.6 -35.7 9.7 -1.5 31.1 116 182 A N H 3< S+ 0 0 4 -4,-3.0 289,-0.3 -5,-0.2 -1,-0.3 0.603 79.4 118.8 -87.4 -12.5 12.5 -1.4 33.7 117 183 A A X< - 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