==== 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 1FOJ . 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 . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34518.0 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 . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.8 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 . 68 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.6 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 . 18 2.2 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 . 3 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 . 12 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 0 105 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.3 8.6 -19.2 53.2 2 68 A P - 0 0 55 0, 0.0 2,-1.2 0, 0.0 4,-0.0 -0.317 360.0-123.3 -64.3 145.5 10.3 -18.1 49.9 3 69 A K S S+ 0 0 168 2,-0.0 14,-0.0 14,-0.0 3,-0.0 -0.244 84.2 92.0 -82.1 44.4 13.8 -16.5 50.1 4 70 A F S S- 0 0 62 -2,-1.2 15,-0.1 17,-0.0 0, 0.0 -0.954 92.4 -77.3-136.5 156.5 12.5 -13.5 48.2 5 71 A P - 0 0 11 0, 0.0 13,-1.9 0, 0.0 2,-0.6 -0.297 43.7-137.8 -56.1 133.1 11.1 -10.2 49.4 6 72 A R E -A 17 0A 105 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.852 20.7-162.3 -96.0 123.4 7.4 -10.6 50.5 7 73 A V E -A 16 0A 8 9,-3.5 9,-2.1 -2,-0.6 2,-0.4 -0.921 4.8-165.0-113.7 133.6 5.3 -7.7 49.1 8 74 A K E -A 15 0A 57 -2,-0.4 391,-2.3 7,-0.2 2,-0.7 -0.908 19.5-149.8-124.0 146.3 1.9 -6.8 50.5 9 75 A N B > -B 398 0B 2 5,-2.4 4,-1.7 -2,-0.4 5,-0.5 -0.938 12.8-163.2-109.2 107.9 -1.1 -4.7 49.4 10 76 A W T 4 S+ 0 0 81 387,-1.9 388,-0.1 -2,-0.7 -1,-0.1 0.528 84.8 55.1 -71.0 -7.9 -2.7 -3.4 52.6 11 77 A E T 4 S+ 0 0 64 386,-0.4 -1,-0.2 383,-0.2 387,-0.1 0.874 123.0 25.0 -87.9 -44.0 -6.0 -2.5 50.9 12 78 A L T 4 S- 0 0 119 385,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.489 97.8-131.9 -97.3 -8.1 -6.7 -5.9 49.4 13 79 A G < + 0 0 45 -4,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.526 56.6 145.6 68.4 6.2 -4.7 -7.9 51.9 14 80 A S - 0 0 56 -5,-0.5 -5,-2.4 -6,-0.0 2,-0.3 -0.370 35.6-148.4 -80.6 156.4 -2.9 -9.8 49.1 15 81 A I E +A 8 0A 55 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.907 16.8 171.3-124.1 149.1 0.7 -11.1 49.0 16 82 A T E -A 7 0A 44 -9,-2.1 -9,-3.5 -2,-0.3 2,-0.5 -0.967 23.6-135.7-148.8 157.3 3.2 -11.6 46.3 17 83 A Y E -A 6 0A 62 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.981 14.9-139.6-120.2 129.1 6.9 -12.5 46.2 18 84 A D + 0 0 5 -13,-1.9 358,-0.2 -2,-0.5 357,-0.1 -0.792 33.7 159.0 -90.9 112.6 9.3 -10.6 44.0 19 85 A T > + 0 0 53 356,-2.3 3,-0.9 -2,-0.8 357,-0.2 0.491 63.0 78.7-105.6 -10.6 11.8 -13.1 42.5 20 86 A L G > S+ 0 0 13 355,-1.3 3,-2.6 1,-0.2 4,-0.2 0.837 78.5 69.4 -66.8 -34.2 12.6 -10.8 39.6 21 87 A C G > S+ 0 0 4 1,-0.3 3,-1.9 354,-0.3 -1,-0.2 0.750 83.4 74.6 -56.1 -24.1 14.9 -8.7 41.7 22 88 A A G < S+ 0 0 33 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.726 88.3 60.4 -61.8 -21.1 17.2 -11.7 41.8 23 89 A Q G < S+ 0 0 128 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.567 76.9 120.6 -84.8 -9.4 18.2 -10.9 38.2 24 90 A S < + 0 0 1 -3,-1.9 381,-0.2 -4,-0.2 3,-0.1 -0.239 33.1 175.2 -56.0 141.9 19.5 -7.4 39.2 25 91 A Q + 0 0 154 379,-0.6 2,-0.5 1,-0.1 -1,-0.1 0.296 58.6 77.9-128.9 1.7 23.2 -7.0 38.3 26 92 A Q B S-C 404 0C 60 378,-0.7 378,-0.6 422,-0.2 2,-0.2 -0.969 76.9-129.7-119.6 125.8 23.5 -3.3 39.3 27 93 A D - 0 0 90 -2,-0.5 421,-0.2 376,-0.1 18,-0.1 -0.465 19.4-146.9 -74.7 143.0 23.9 -2.3 43.0 28 94 A G - 0 0 14 419,-4.5 -1,-0.1 -2,-0.2 421,-0.1 -0.184 29.8 -95.9 -93.3-168.5 21.7 0.4 44.4 29 95 A P S S+ 0 0 29 0, 0.0 2,-0.1 0, 0.0 419,-0.1 0.591 89.5 93.7 -88.0 -13.7 22.5 3.0 47.1 30 96 A C - 0 0 3 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.387 47.5-177.1 -82.8 159.7 21.1 1.2 50.1 31 97 A T B > -D 34 0D 39 3,-2.0 3,-0.6 415,-0.1 414,-0.3 -0.907 46.3 -95.6-143.4 167.2 22.9 -1.0 52.6 32 98 A P T 3 S+ 0 0 47 0, 0.0 411,-3.9 0, 0.0 413,-0.1 0.730 123.8 52.6 -61.8 -17.5 21.7 -3.0 55.6 33 99 A R T 3 S+ 0 0 82 1,-0.3 786,-0.5 409,-0.2 2,-0.3 0.780 121.3 9.1 -89.5 -28.1 22.7 -0.1 57.8 34 100 A R B < -D 31 0D 35 -3,-0.6 -3,-2.0 784,-0.1 2,-0.5 -0.970 60.9-132.9-158.2 142.8 20.9 2.7 56.0 35 101 A C B +E 817 0E 19 782,-3.1 782,-2.2 -2,-0.3 3,-0.2 -0.806 18.8 174.0 -94.7 123.0 18.3 3.3 53.3 36 102 A L > + 0 0 13 -2,-0.5 3,-1.7 780,-0.2 -1,-0.1 -0.020 42.8 122.1-113.3 25.6 19.1 6.0 50.8 37 103 A G T 3 + 0 0 18 1,-0.3 -1,-0.1 780,-0.1 779,-0.1 0.765 64.8 61.7 -59.9 -28.2 16.0 5.2 48.7 38 104 A S T 3 S+ 0 0 24 777,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.552 78.0 111.6 -78.4 -6.3 14.6 8.7 49.0 39 105 A L < - 0 0 14 -3,-1.7 -3,-0.1 776,-0.1 383,-0.0 -0.500 58.3-151.6 -74.3 134.5 17.6 10.3 47.2 40 106 A V S S+ 0 0 32 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.933 88.3 30.7 -67.7 -49.6 16.8 11.7 43.8 41 107 A L S S- 0 0 45 4,-0.0 2,-0.7 3,-0.0 -1,-0.3 -0.843 72.1-166.9-115.4 93.6 20.3 11.2 42.3 42 108 A P > - 0 0 16 0, 0.0 4,-0.6 0, 0.0 2,-0.4 -0.725 27.2-130.9 -81.7 117.8 22.1 8.2 43.8 43 109 A R T 4 S+ 0 0 144 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 0.389 92.8 83.3 -49.8 8.6 25.7 8.6 42.6 44 110 A K T 4 S+ 0 0 85 -2,-0.4 -1,-0.2 3,-0.1 -16,-0.1 0.963 94.0 27.9 -76.2 -84.1 25.5 5.0 41.5 45 111 A L T 4 S+ 0 0 37 -3,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.913 82.4 121.4 -42.6 -63.2 23.9 4.9 38.0 46 112 A Q < - 0 0 25 -4,-0.6 2,-2.5 1,-0.2 366,-0.2 0.379 65.4-140.8 -7.9 76.3 25.1 8.4 37.0 47 113 A T - 0 0 16 364,-1.5 -1,-0.2 1,-0.1 -2,-0.1 -0.267 17.8-156.9 -57.0 74.3 27.0 7.1 34.0 48 114 A R - 0 0 155 -2,-2.5 2,-0.3 1,-0.2 -1,-0.1 -0.386 35.7 -94.5 -59.4 117.9 30.1 9.4 34.4 49 115 A P - 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.054 46.7-142.9 -38.3 89.0 31.8 9.7 31.0 50 116 A S - 0 0 63 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.403 8.5-128.5 -62.9 129.9 34.3 6.9 31.5 51 117 A P S S+ 0 0 138 0, 0.0 122,-0.4 0, 0.0 -1,-0.1 0.923 85.7 17.7 -43.3 -64.6 37.7 7.9 29.8 52 118 A G S S- 0 0 40 1,-0.2 -2,-0.0 120,-0.1 0, 0.0 -0.595 103.3 -69.5-109.5 172.6 38.1 4.7 27.8 53 119 A P - 0 0 63 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 -0.196 69.3 -84.6 -55.5 150.8 35.8 1.9 26.6 54 120 A P - 0 0 41 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.131 65.8 -72.2 -54.4 154.5 34.6 -0.3 29.5 55 121 A P >> - 0 0 86 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.323 50.2-119.7 -51.5 123.6 37.0 -3.2 30.4 56 122 A A H 3> S+ 0 0 56 1,-0.3 4,-1.6 2,-0.2 5,-0.0 0.752 115.0 46.0 -36.7 -32.7 36.6 -5.5 27.4 57 123 A E H 3> S+ 0 0 143 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.863 107.2 54.0 -83.6 -37.1 35.4 -8.1 29.9 58 124 A Q H <> S+ 0 0 116 -3,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.925 115.3 43.1 -60.3 -43.6 33.0 -5.9 31.9 59 125 A L H X S+ 0 0 3 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.898 109.1 58.1 -68.3 -43.0 31.4 -5.1 28.5 60 126 A L H X S+ 0 0 12 -4,-1.6 4,-3.2 -5,-0.4 5,-0.2 0.924 107.9 44.3 -55.3 -51.6 31.4 -8.7 27.3 61 127 A S H X S+ 0 0 67 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.879 114.3 50.8 -64.0 -37.3 29.4 -10.1 30.1 62 128 A Q H X S+ 0 0 58 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.955 113.7 44.4 -64.0 -48.2 27.0 -7.2 29.9 63 129 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.910 111.3 53.2 -62.3 -43.1 26.6 -7.8 26.2 64 130 A R H X S+ 0 0 95 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.912 109.3 50.7 -58.8 -40.6 26.3 -11.5 26.7 65 131 A D H X S+ 0 0 73 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.944 110.5 47.9 -61.7 -50.5 23.5 -10.9 29.2 66 132 A F H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.918 110.2 51.2 -58.4 -46.6 21.6 -8.6 26.9 67 133 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.921 108.5 52.6 -58.4 -42.4 21.8 -11.0 23.9 68 134 A N H X S+ 0 0 59 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.897 108.1 51.3 -60.1 -39.9 20.5 -13.8 26.1 69 135 A Q H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 109.6 51.2 -63.3 -40.2 17.5 -11.5 27.1 70 136 A Y H X S+ 0 0 30 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.944 110.2 45.9 -63.8 -50.1 16.8 -10.9 23.4 71 137 A Y H <>S+ 0 0 22 -4,-2.5 5,-3.2 1,-0.2 6,-0.3 0.808 112.4 52.0 -65.2 -27.8 16.8 -14.5 22.4 72 138 A S H ><5S+ 0 0 56 -4,-1.7 3,-2.5 -5,-0.2 -1,-0.2 0.920 104.1 57.1 -71.7 -43.0 14.6 -15.4 25.4 73 139 A S H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.9 41.2 -59.1 -25.6 12.1 -12.7 24.4 74 140 A I T 3<5S- 0 0 68 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.178 117.3-115.7-106.8 16.3 11.8 -14.4 21.0 75 141 A K T < 5S+ 0 0 160 -3,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.892 83.5 111.5 52.6 52.4 11.8 -17.9 22.6 76 142 A R > < + 0 0 150 -5,-3.2 3,-1.7 -6,-0.1 6,-0.3 -0.027 33.8 155.7-142.2 33.1 15.0 -19.1 21.0 77 143 A S T 3 S+ 0 0 69 -6,-0.3 3,-0.1 1,-0.3 -9,-0.0 -0.362 73.8 14.7 -63.6 142.4 17.5 -19.5 23.9 78 144 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 5,-0.0 0.398 97.8 138.2 74.6 -4.0 20.2 -22.0 23.3 79 145 A S S <> S- 0 0 33 -3,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.142 70.4-106.3 -69.5 169.4 19.4 -22.0 19.6 80 146 A Q H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.870 122.0 53.0 -63.6 -39.1 22.0 -21.9 16.7 81 147 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 108.4 52.6 -65.6 -33.2 21.2 -18.2 16.0 82 148 A H H > S+ 0 0 11 -6,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.936 109.8 43.6 -69.0 -50.6 21.8 -17.4 19.7 83 149 A E H X S+ 0 0 93 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.816 115.0 52.5 -66.4 -28.9 25.2 -19.0 20.1 84 150 A E H X S+ 0 0 86 -4,-1.6 4,-2.9 -5,-0.2 -2,-0.2 0.938 108.0 48.5 -70.2 -48.3 26.2 -17.5 16.8 85 151 A R H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.879 110.7 53.3 -60.2 -35.4 25.1 -14.0 17.8 86 152 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.939 111.6 44.3 -63.9 -45.2 27.1 -14.6 21.0 87 153 A Q H X S+ 0 0 117 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.844 112.4 54.6 -65.6 -34.4 30.2 -15.5 18.9 88 154 A E H X S+ 0 0 96 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.922 109.5 45.4 -65.5 -46.8 29.4 -12.5 16.6 89 155 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.923 115.5 45.6 -64.8 -47.1 29.4 -10.0 19.5 90 156 A E H X S+ 0 0 72 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.938 111.1 52.4 -62.9 -47.2 32.5 -11.3 21.2 91 157 A A H X S+ 0 0 59 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.936 112.4 47.4 -52.5 -47.8 34.4 -11.5 17.9 92 158 A E H X>S+ 0 0 46 -4,-2.1 4,-2.2 1,-0.2 5,-0.5 0.901 111.3 48.3 -62.3 -44.5 33.4 -7.9 17.3 93 159 A V H X5S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.881 109.6 56.6 -64.0 -34.8 34.4 -6.8 20.8 94 160 A A H <5S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.6 34.1 -64.8 -37.1 37.7 -8.6 20.3 95 161 A S H <5S+ 0 0 96 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.685 136.3 18.1 -95.0 -18.6 38.6 -6.7 17.1 96 162 A T H <5S- 0 0 79 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.540 93.2-118.6-128.0 -12.9 37.2 -3.2 17.9 97 163 A G S < - 0 0 126 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.503 35.7-103.4 -83.1 159.1 20.8 -5.3 15.2 103 169 A E H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.932 121.8 44.3 -46.4 -59.2 17.7 -3.2 14.5 104 170 A S H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 109.9 57.6 -56.7 -39.6 15.2 -5.5 16.4 105 171 A E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 107.0 47.9 -58.8 -40.6 17.7 -5.8 19.2 106 172 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 -3,-0.4 5,-0.2 0.946 110.7 50.8 -65.5 -46.9 17.6 -2.0 19.7 107 173 A V H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 112.4 48.2 -55.9 -43.5 13.8 -2.0 19.5 108 174 A F H X S+ 0 0 28 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.906 113.0 45.9 -64.5 -44.7 13.8 -4.7 22.2 109 175 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.888 109.5 54.7 -67.1 -39.6 16.3 -2.9 24.5 110 176 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.935 112.7 43.1 -58.6 -48.6 14.5 0.5 24.2 111 177 A K H X S+ 0 0 57 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.915 113.3 51.8 -64.3 -43.9 11.2 -1.1 25.3 112 178 A Q H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 106.0 55.2 -60.0 -42.1 12.9 -3.1 28.0 113 179 A A H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 296,-0.4 0.889 112.1 42.1 -59.1 -40.6 14.6 0.0 29.4 114 180 A W H >< S+ 0 0 35 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.942 113.4 53.5 -70.9 -43.6 11.2 1.8 29.7 115 181 A R H 3< S+ 0 0 28 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.844 110.5 48.9 -56.4 -34.8 9.8 -1.4 31.1 116 182 A N H 3< S+ 0 0 4 -4,-2.6 289,-0.3 -5,-0.2 -1,-0.3 0.614 77.8 118.3 -83.6 -13.0 12.6 -1.4 33.6 117 183 A A X< - 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