==== 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 09-SEP-99 1D0C . COMPND 2 MOLECULE: BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOM . 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) . 34246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 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 . 61 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 26.9 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 0 2 0 0 0 2 0 0 2 2 2 3 1 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 . 7 5 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 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-102.5 8.8 -19.0 53.2 2 68 A P - 0 0 64 0, 0.0 2,-1.8 0, 0.0 4,-0.0 -0.339 360.0-127.9 -60.2 133.8 10.1 -17.9 49.8 3 69 A K S S+ 0 0 184 2,-0.1 14,-0.0 14,-0.1 0, 0.0 -0.305 81.9 87.3 -77.2 47.3 13.6 -16.5 50.0 4 70 A F S S- 0 0 68 -2,-1.8 15,-0.1 17,-0.0 2,-0.1 -0.951 94.3 -72.2-138.7 159.9 12.5 -13.3 48.3 5 71 A P - 0 0 10 0, 0.0 13,-2.2 0, 0.0 2,-0.5 -0.354 45.4-137.3 -56.9 130.3 11.0 -10.0 49.4 6 72 A R E -A 17 0A 95 11,-0.2 2,-0.4 -2,-0.1 11,-0.2 -0.789 20.4-161.3 -86.4 129.1 7.4 -10.4 50.5 7 73 A V E -A 16 0A 9 9,-3.6 9,-2.5 -2,-0.5 2,-0.4 -0.974 3.3-161.1-122.8 126.0 5.3 -7.5 49.2 8 74 A K E -A 15 0A 59 -2,-0.4 391,-2.5 7,-0.2 2,-0.6 -0.845 16.1-151.8-112.2 142.7 1.9 -6.6 50.6 9 75 A N E >> -AB 14 398A 2 5,-2.6 4,-1.9 -2,-0.4 5,-0.6 -0.961 12.9-164.5-101.8 116.9 -1.0 -4.6 49.3 10 76 A W T 45S+ 0 0 79 387,-2.8 388,-0.1 -2,-0.6 -1,-0.1 0.676 83.4 55.4 -80.7 -20.2 -2.8 -3.1 52.4 11 77 A E T 45S+ 0 0 65 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.889 124.0 23.8 -74.9 -36.7 -6.0 -2.2 50.7 12 78 A L T 45S- 0 0 127 385,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.634 97.0-130.0-105.8 -16.4 -6.7 -5.7 49.3 13 79 A G T <5 + 0 0 47 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.693 58.0 142.1 71.8 26.0 -4.7 -7.8 51.8 14 80 A S E < -A 9 0A 57 -5,-0.6 -5,-2.6 2,-0.0 2,-0.4 -0.658 36.7-149.2-100.5 154.6 -2.9 -9.7 49.1 15 81 A I E +A 8 0A 58 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.943 15.7 173.9-124.9 141.0 0.8 -10.8 49.0 16 82 A T E -A 7 0A 49 -9,-2.5 -9,-3.6 -2,-0.4 2,-0.4 -0.922 22.3-136.8-134.9 165.6 3.3 -11.3 46.3 17 83 A Y E -A 6 0A 67 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.985 16.7-135.1-119.8 137.2 7.0 -12.1 46.4 18 84 A D + 0 0 5 -13,-2.2 358,-0.2 -2,-0.4 4,-0.1 -0.815 33.6 161.0 -94.5 109.8 9.5 -10.3 44.1 19 85 A T > + 0 0 54 356,-2.2 3,-1.3 -2,-0.8 357,-0.2 0.689 63.9 77.4 -95.8 -18.0 11.9 -12.8 42.5 20 86 A L G > S+ 0 0 1 355,-1.1 3,-3.0 1,-0.3 4,-0.3 0.845 80.7 68.6 -58.5 -38.7 12.9 -10.4 39.6 21 87 A C G > S+ 0 0 9 1,-0.3 3,-1.7 354,-0.2 -1,-0.3 0.777 83.4 73.7 -56.3 -21.8 15.2 -8.4 42.0 22 88 A A G < S+ 0 0 50 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 90.1 59.5 -66.8 -12.8 17.4 -11.5 42.1 23 89 A Q G < S+ 0 0 129 -3,-3.0 2,-0.3 -4,-0.2 -1,-0.3 0.553 76.8 117.1 -89.3 -3.2 18.4 -10.5 38.5 24 90 A S < + 0 0 0 -3,-1.7 381,-0.2 -4,-0.3 3,-0.0 -0.467 34.0 173.4 -69.2 127.7 19.7 -7.2 39.6 25 91 A Q + 0 0 159 379,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.184 59.9 70.5-128.4 38.8 23.5 -6.9 38.9 26 92 A Q S S- 0 0 55 378,-0.3 378,-0.7 422,-0.1 2,-0.1 -0.901 80.0-125.1-157.5 121.1 23.9 -3.2 39.8 27 93 A D - 0 0 72 -2,-0.3 421,-0.2 376,-0.1 376,-0.1 -0.427 13.4-143.1 -85.7 151.6 23.7 -1.9 43.4 28 94 A G - 0 0 17 419,-4.5 -1,-0.1 418,-0.2 421,-0.1 -0.167 33.3 -97.7 -89.5-177.2 21.5 0.8 44.9 29 95 A P S S+ 0 0 35 0, 0.0 2,-0.2 0, 0.0 419,-0.1 0.525 87.8 98.3 -87.9 -7.7 22.3 3.3 47.6 30 96 A C - 0 0 3 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.489 46.5-174.4 -83.1 154.9 20.8 1.5 50.5 31 97 A T B > -C 34 0B 40 3,-2.5 3,-0.6 -2,-0.2 414,-0.4 -0.899 44.6-104.3-131.6 164.0 22.5 -0.7 53.1 32 98 A P T 3 S+ 0 0 42 0, 0.0 411,-4.6 0, 0.0 413,-0.2 0.837 124.0 55.9 -54.5 -30.0 21.1 -2.8 56.0 33 99 A R T 3 S+ 0 0 72 409,-0.2 2,-0.3 1,-0.2 786,-0.3 0.730 122.0 2.3 -74.5 -32.6 22.4 0.1 58.1 34 100 A R B < -C 31 0B 29 -3,-0.6 -3,-2.5 784,-0.1 2,-0.5 -0.951 62.0-130.0-163.1 144.7 20.5 2.9 56.4 35 101 A C B +D 817 0C 19 782,-2.5 782,-2.1 -2,-0.3 3,-0.2 -0.843 17.4 176.9 -97.5 127.8 18.0 3.5 53.7 36 102 A L > + 0 0 12 -2,-0.5 3,-1.8 780,-0.2 -1,-0.1 -0.042 40.7 126.2-111.9 23.2 18.7 6.2 51.1 37 103 A G T 3 + 0 0 17 1,-0.3 -1,-0.1 780,-0.1 345,-0.1 0.754 68.5 55.0 -55.1 -32.7 15.5 5.5 49.0 38 104 A S T 3 S+ 0 0 20 777,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.598 78.3 112.0 -84.5 -6.1 14.3 9.1 49.1 39 105 A L < - 0 0 16 -3,-1.8 -3,-0.1 776,-0.2 383,-0.1 -0.469 58.9-150.0 -67.7 133.8 17.5 10.6 47.6 40 106 A V S S+ 0 0 28 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.949 83.7 29.6 -72.1 -49.4 16.8 12.0 44.2 41 107 A L S S- 0 0 56 2,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.736 72.7-174.3-114.3 86.9 20.2 11.5 42.5 42 108 A P > - 0 0 24 0, 0.0 2,-2.6 0, 0.0 4,-0.7 -0.604 34.5-120.1 -75.9 136.6 22.1 8.5 43.9 43 109 A R T 4 S+ 0 0 158 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.429 92.5 82.4 -74.0 71.9 25.6 8.2 42.5 44 110 A K T 4 S+ 0 0 80 -2,-2.6 -1,-0.2 -18,-0.0 -16,-0.1 0.427 91.6 29.9-134.9 -79.3 24.9 4.8 41.1 45 111 A L T 4 S+ 0 0 38 -3,-0.3 -2,-0.1 -19,-0.1 365,-0.1 0.907 104.1 105.1 -49.6 -42.1 23.1 4.6 37.8 46 112 A Q < - 0 0 36 -4,-0.7 2,-0.4 1,-0.1 366,-0.2 0.116 65.2-146.0 -40.8 152.8 25.0 7.9 37.3 47 113 A T - 0 0 27 364,-0.4 -1,-0.1 363,-0.0 -2,-0.1 -0.904 12.6-154.1-140.2 105.4 28.0 7.8 35.0 48 114 A R - 0 0 197 -2,-0.4 364,-0.0 364,-0.1 -2,-0.0 -0.733 50.0-101.1 -80.5 104.9 31.2 9.7 35.2 49 115 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 363,-0.0 0.075 31.9-137.1 -35.7 107.6 32.3 9.7 31.5 50 116 A S - 0 0 58 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 -0.655 10.0-137.6 -73.9 109.1 35.0 7.1 31.1 51 117 A P S S+ 0 0 140 0, 0.0 122,-0.4 0, 0.0 -1,-0.2 0.712 84.3 20.1 -37.6 -39.1 37.6 8.7 28.9 52 118 A G S S- 0 0 35 1,-0.3 -2,-0.0 120,-0.1 119,-0.0 -0.789 104.0 -59.5-129.7 173.1 37.9 5.4 27.0 53 119 A P - 0 0 62 0, 0.0 -1,-0.3 0, 0.0 45,-0.1 0.291 64.2 -85.7 -41.4 170.7 35.9 2.2 26.4 54 120 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 6,-0.0 -0.411 58.3 -77.3 -75.1 160.5 34.8 -0.1 29.1 55 121 A P > - 0 0 72 0, 0.0 4,-3.2 0, 0.0 5,-0.4 -0.426 47.0-123.7 -52.0 131.6 37.1 -2.9 30.4 56 122 A A H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.842 111.7 44.9 -51.9 -37.8 36.8 -5.5 27.7 57 123 A E H > S+ 0 0 146 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.890 112.9 49.1 -76.4 -41.8 35.6 -8.1 30.3 58 124 A Q H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.956 116.1 43.6 -58.4 -52.7 33.2 -5.7 32.0 59 125 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.896 114.0 51.3 -61.0 -42.4 31.7 -4.7 28.7 60 126 A L H X S+ 0 0 14 -4,-2.0 4,-2.8 -5,-0.4 5,-0.3 0.910 107.9 51.8 -64.2 -39.5 31.7 -8.4 27.6 61 127 A S H X S+ 0 0 67 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.951 114.0 43.7 -63.6 -42.7 29.9 -9.5 30.7 62 128 A Q H X S+ 0 0 59 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.875 114.4 50.1 -69.1 -34.4 27.2 -6.8 30.2 63 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.936 109.6 50.0 -68.5 -45.9 27.0 -7.6 26.5 64 130 A R H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.926 111.5 49.5 -58.7 -44.5 26.6 -11.4 27.1 65 131 A D H X S+ 0 0 81 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.934 112.3 47.8 -62.1 -40.2 23.9 -10.7 29.6 66 132 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.945 111.4 49.0 -68.8 -43.2 22.1 -8.4 27.2 67 133 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.929 109.7 53.5 -65.0 -36.6 22.3 -10.9 24.3 68 134 A N H X S+ 0 0 57 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.939 108.4 49.6 -59.0 -42.8 21.0 -13.6 26.6 69 135 A Q H X S+ 0 0 46 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 110.5 51.6 -62.2 -37.7 18.0 -11.4 27.5 70 136 A Y H X S+ 0 0 19 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.966 111.0 44.8 -63.5 -51.1 17.4 -10.8 23.8 71 137 A Y H <>S+ 0 0 17 -4,-2.7 5,-2.8 1,-0.2 6,-0.5 0.890 112.9 52.5 -66.1 -32.7 17.4 -14.5 22.8 72 138 A S H ><5S+ 0 0 57 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.942 105.9 55.5 -63.1 -41.2 15.2 -15.3 25.8 73 139 A S H 3<5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.888 112.3 40.4 -62.4 -34.3 12.8 -12.7 24.7 74 140 A I T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.393 116.8-114.5 -95.7 10.5 12.4 -14.2 21.3 75 141 A K T < 5S+ 0 0 151 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.820 85.9 110.1 68.4 39.4 12.4 -17.7 22.7 76 142 A R > < + 0 0 150 -5,-2.8 3,-1.8 -6,-0.1 6,-0.4 -0.017 35.3 151.3-129.5 27.9 15.6 -18.9 21.1 77 143 A S T 3 S+ 0 0 77 -6,-0.5 3,-0.1 1,-0.2 -9,-0.1 -0.399 72.4 17.1 -62.5 135.6 18.0 -19.2 24.1 78 144 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.2 -2,-0.1 -10,-0.0 0.332 99.5 136.1 86.3 -6.2 20.7 -21.8 23.7 79 145 A S S <> S- 0 0 31 -3,-1.8 4,-2.1 1,-0.1 -1,-0.3 -0.121 71.9-108.2 -70.1 166.8 20.0 -21.9 20.0 80 146 A Q H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 121.7 50.6 -58.4 -52.0 22.5 -21.9 17.1 81 147 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.805 109.4 52.1 -55.9 -35.4 21.7 -18.3 16.3 82 148 A H H > S+ 0 0 6 -6,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.917 109.6 47.6 -70.6 -44.2 22.2 -17.3 19.9 83 149 A E H X S+ 0 0 85 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.897 111.7 50.5 -63.2 -43.7 25.6 -18.9 20.1 84 150 A E H X S+ 0 0 93 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.883 108.4 52.1 -61.5 -42.5 26.7 -17.3 16.9 85 151 A R H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.939 109.2 49.5 -64.4 -42.6 25.6 -13.8 18.1 86 152 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 112.7 48.9 -59.4 -37.2 27.6 -14.2 21.4 87 153 A Q H X S+ 0 0 121 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.925 111.3 48.6 -65.8 -45.5 30.6 -15.2 19.2 88 154 A E H X S+ 0 0 104 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.957 111.9 48.6 -62.1 -45.5 30.2 -12.3 16.9 89 155 A V H X S+ 0 0 1 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.931 112.3 49.6 -61.6 -39.1 29.8 -9.9 19.8 90 156 A E H X S+ 0 0 72 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.930 111.8 48.1 -64.7 -42.7 32.9 -11.4 21.5 91 157 A A H X S+ 0 0 60 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.854 109.8 51.4 -64.4 -39.2 35.0 -11.1 18.2 92 158 A E H X S+ 0 0 42 -4,-2.4 4,-2.7 -5,-0.2 6,-0.6 0.879 110.8 48.4 -70.0 -36.2 34.0 -7.5 17.6 93 159 A V H X S+ 0 0 8 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.903 110.7 51.7 -69.6 -39.5 35.0 -6.5 21.1 94 160 A A H < S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 119.1 35.8 -63.4 -38.4 38.3 -8.3 20.7 95 161 A S H < S+ 0 0 97 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.850 135.8 17.1 -87.1 -32.8 39.1 -6.5 17.5 96 162 A T H < S- 0 0 68 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.519 89.1-120.4-119.3 -6.9 37.6 -3.1 18.2 97 163 A G S < S+ 0 0 26 -4,-2.3 2,-0.2 -5,-0.4 -4,-0.2 0.422 91.5 49.8 80.7 -12.0 37.0 -2.6 21.9 98 164 A T - 0 0 16 -6,-0.6 -2,-0.3 -45,-0.1 2,-0.3 -0.836 68.0-146.3-144.0-175.4 33.3 -2.1 21.3 99 165 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.922 11.8-125.5-147.9 177.3 30.3 -3.7 19.5 100 166 A H - 0 0 97 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.974 18.8-124.6-132.8 144.8 27.1 -2.7 17.7 101 167 A L - 0 0 8 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.618 21.9-120.7 -86.5 142.5 23.5 -3.7 18.2 102 168 A R > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.389 35.3-107.4 -69.0 157.7 21.3 -5.2 15.5 103 169 A E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 120.4 48.8 -54.2 -45.6 18.2 -3.1 14.8 104 170 A S H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 109.6 54.0 -66.3 -30.3 15.8 -5.6 16.5 105 171 A E H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.879 106.8 51.2 -68.3 -42.9 18.1 -5.7 19.6 106 172 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.919 110.5 48.7 -61.7 -43.2 18.1 -1.9 19.8 107 173 A V H X S+ 0 0 43 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.941 113.6 46.0 -61.4 -46.5 14.3 -1.9 19.8 108 174 A F H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.933 114.1 50.0 -59.3 -49.3 14.1 -4.6 22.4 109 175 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.861 109.8 49.1 -54.3 -49.0 16.7 -2.7 24.5 110 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.902 113.2 46.1 -67.8 -41.0 14.9 0.6 24.4 111 177 A K H X S+ 0 0 55 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.892 111.8 53.0 -65.9 -34.6 11.6 -0.8 25.4 112 178 A Q H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.849 103.1 57.0 -70.8 -33.8 13.3 -2.8 28.1 113 179 A A H < S+ 0 0 0 -4,-2.0 296,-0.5 2,-0.2 4,-0.4 0.886 110.7 44.2 -62.1 -40.0 14.9 0.4 29.5 114 180 A W H >< S+ 0 0 37 -4,-1.5 3,-1.9 2,-0.2 -2,-0.2 0.956 112.1 51.2 -68.3 -51.2 11.4 1.9 29.9 115 181 A R H 3< S+ 0 0 31 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.8 50.2 -50.5 -35.6 9.9 -1.2 31.4 116 182 A N T 3< S+ 0 0 5 -4,-1.9 289,-0.3 -5,-0.2 -1,-0.3 0.556 79.3 113.7 -81.7 -10.8 12.8 -1.2 33.8 117 183 A A X - 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