==== 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 COMPLEX (OXIDOREDUCTASE/PEPTIDE) 07-OCT-98 4NSE . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,V.KRAL,B.S.S.MASTERS,T.L.POULOS . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 65.1 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 . 91 10.9 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 . 70 8.4 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 . 226 27.2 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 2 0 0 2 2 1 5 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 7 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 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 0 113 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.3 8.1 -18.8 53.2 2 68 A P - 0 0 67 0, 0.0 2,-1.0 0, 0.0 4,-0.1 -0.189 360.0-118.4 -53.3 140.4 9.8 -18.0 49.9 3 69 A K S S+ 0 0 186 2,-0.1 14,-0.0 14,-0.0 3,-0.0 -0.035 87.0 83.8 -71.3 31.2 13.4 -16.8 49.9 4 70 A F S S- 0 0 82 -2,-1.0 15,-0.1 1,-0.0 2,-0.0 -0.911 94.5 -68.6-135.2 161.6 12.4 -13.4 48.3 5 71 A P - 0 0 16 0, 0.0 13,-1.9 0, 0.0 2,-0.5 -0.248 46.7-138.1 -53.0 121.8 11.0 -10.0 49.4 6 72 A R E -A 17 0A 116 11,-0.2 2,-0.4 -4,-0.1 11,-0.2 -0.762 21.3-163.5 -86.1 128.3 7.4 -10.4 50.6 7 73 A V E -A 16 0A 6 9,-3.6 9,-2.3 -2,-0.5 2,-0.3 -0.954 3.0-163.0-120.2 133.1 5.2 -7.6 49.3 8 74 A K E -A 15 0A 58 -2,-0.4 391,-2.1 7,-0.2 2,-0.7 -0.864 17.7-151.2-120.6 146.0 1.8 -6.6 50.6 9 75 A N E >> -AB 14 398A 1 5,-2.5 4,-2.2 -2,-0.3 5,-0.6 -0.949 12.4-164.0-109.7 111.2 -1.1 -4.6 49.3 10 76 A W T 45S+ 0 0 73 387,-2.3 388,-0.1 -2,-0.7 -1,-0.1 0.674 85.2 56.2 -70.9 -18.0 -2.8 -3.2 52.4 11 77 A E T 45S+ 0 0 66 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.882 123.3 24.5 -78.9 -38.0 -6.0 -2.2 50.6 12 78 A L T 45S- 0 0 116 385,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.551 95.4-132.1-102.4 -13.4 -6.6 -5.7 49.3 13 79 A G T <5 + 0 0 47 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.642 58.1 145.1 68.6 12.9 -4.7 -7.7 51.9 14 80 A S E < -A 9 0A 56 -5,-0.6 -5,-2.5 1,-0.0 2,-0.3 -0.563 36.9-148.2 -86.8 150.8 -3.0 -9.6 49.1 15 81 A I E +A 8 0A 57 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.897 17.1 172.5-120.4 146.5 0.6 -10.8 49.1 16 82 A T E -A 7 0A 46 -9,-2.3 -9,-3.6 -2,-0.3 2,-0.4 -0.963 22.1-135.5-146.3 157.4 3.2 -11.3 46.3 17 83 A Y E -A 6 0A 63 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.928 14.0-136.3-117.7 142.0 6.9 -12.2 46.2 18 84 A D + 0 0 6 -13,-1.9 358,-0.2 -2,-0.4 357,-0.1 -0.848 34.0 159.0-102.9 103.1 9.4 -10.4 44.1 19 85 A T > + 0 0 54 356,-2.0 3,-1.6 -2,-0.8 4,-0.2 0.676 65.5 75.5 -90.9 -22.0 11.7 -12.9 42.4 20 86 A L G > S+ 0 0 13 355,-1.4 3,-2.3 1,-0.3 4,-0.3 0.794 80.3 69.0 -61.0 -31.7 12.7 -10.5 39.6 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.0 354,-0.3 -1,-0.3 0.681 84.9 72.7 -63.0 -16.2 15.0 -8.6 41.9 22 88 A A G < S+ 0 0 37 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.739 91.1 58.6 -68.5 -22.3 17.2 -11.7 41.9 23 89 A Q G < S+ 0 0 133 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.590 76.3 119.0 -83.3 -13.4 18.1 -10.7 38.3 24 90 A S < + 0 0 1 -3,-1.0 381,-0.2 -4,-0.3 3,-0.1 -0.327 34.6 177.3 -59.3 128.6 19.5 -7.3 39.3 25 91 A Q + 0 0 159 379,-0.5 2,-0.5 1,-0.1 -1,-0.1 0.455 60.6 69.7-111.0 -5.1 23.2 -6.9 38.4 26 92 A Q B S-C 404 0B 86 378,-0.8 378,-0.6 422,-0.1 -1,-0.1 -0.969 80.0-126.0-120.8 125.1 23.8 -3.3 39.5 27 93 A D - 0 0 79 -2,-0.5 421,-0.2 376,-0.1 376,-0.1 -0.356 18.4-145.6 -70.6 143.1 23.8 -2.2 43.1 28 94 A G - 0 0 14 419,-4.0 -1,-0.1 2,-0.1 421,-0.1 -0.151 32.8 -92.6 -90.2-168.6 21.6 0.6 44.4 29 95 A P S S+ 0 0 27 0, 0.0 2,-0.1 0, 0.0 419,-0.1 0.646 88.9 97.5 -84.3 -19.4 22.4 3.1 47.2 30 96 A C - 0 0 4 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.348 44.8-177.8 -77.9 153.2 21.0 1.3 50.2 31 97 A T - 0 0 44 3,-2.0 414,-0.3 415,-0.2 3,-0.3 -0.877 46.7 -99.6-137.6 163.4 22.8 -0.9 52.8 32 98 A P S S+ 0 0 43 0, 0.0 411,-3.7 0, 0.0 413,-0.2 0.836 122.3 58.8 -59.4 -24.4 21.4 -2.9 55.7 33 99 A R S S+ 0 0 97 1,-0.2 786,-0.6 409,-0.2 2,-0.3 0.913 119.8 3.8 -69.6 -45.0 22.5 0.1 57.9 34 100 A R E -D 818 0C 31 -3,-0.3 -3,-2.0 784,-0.1 2,-0.6 -0.999 62.5-126.7-150.3 145.9 20.5 2.7 56.2 35 101 A C E +D 817 0C 19 782,-3.1 782,-1.9 -2,-0.3 3,-0.2 -0.798 18.8 177.7 -91.1 121.8 17.9 3.3 53.5 36 102 A L > + 0 0 11 -2,-0.6 3,-1.2 780,-0.2 -1,-0.1 -0.080 41.8 124.8-110.6 30.6 18.8 5.9 50.9 37 103 A G T 3 + 0 0 20 1,-0.2 -1,-0.1 780,-0.1 345,-0.1 0.696 65.2 56.9 -65.3 -22.3 15.6 5.3 48.9 38 104 A S T 3 S+ 0 0 22 777,-0.6 2,-0.3 -3,-0.2 -1,-0.2 0.528 77.6 110.1 -89.1 -8.0 14.5 8.9 49.0 39 105 A L < - 0 0 9 -3,-1.2 383,-0.1 776,-0.2 -3,-0.0 -0.541 55.5-155.9 -72.5 131.8 17.6 10.4 47.3 40 106 A V S S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.3 5,-0.0 0.959 87.9 21.2 -68.1 -54.5 16.9 11.7 43.8 41 107 A L S S+ 0 0 74 3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.839 72.7 165.4-121.7 81.2 20.5 11.4 42.6 42 108 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.682 53.5-109.9 -86.4 156.8 22.5 9.0 44.7 43 109 A R T 3 S+ 0 0 184 -2,-0.3 5,-0.2 1,-0.3 -2,-0.0 0.495 115.2 70.4 -68.0 2.2 25.8 8.1 43.0 44 110 A K T 3 S+ 0 0 111 1,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.574 95.8 46.7 -89.9 -20.2 24.3 4.6 42.5 45 111 A L S < S+ 0 0 34 -3,-1.8 366,-1.6 -17,-0.0 2,-0.4 0.282 102.9 85.2-101.4 5.5 21.6 5.6 39.9 46 112 A Q B -e 411 0D 49 -4,-0.4 2,-0.7 364,-0.2 366,-0.2 -0.854 62.4-155.1-110.1 142.8 24.2 7.6 37.9 47 113 A T - 0 0 28 364,-2.1 -3,-0.1 -2,-0.4 363,-0.1 -0.920 22.4-141.7-120.9 101.3 26.7 6.4 35.3 48 114 A R - 0 0 157 -2,-0.7 364,-0.0 -5,-0.2 -5,-0.0 -0.177 29.8 -90.8 -52.0 151.9 29.7 8.7 35.2 49 115 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 363,-0.0 -0.137 39.8-122.4 -66.0 165.2 31.4 9.5 31.7 50 116 A S - 0 0 51 1,-0.1 0, 0.0 4,-0.0 0, 0.0 -0.941 25.7-178.2-122.4 120.6 34.2 7.4 30.3 51 117 A P S S+ 0 0 147 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.250 86.7 35.6 -87.7 7.3 37.8 8.6 29.3 52 118 A G S S- 0 0 33 120,-0.0 0, 0.0 121,-0.0 0, 0.0 -0.973 97.3 -97.5-160.2 143.8 38.4 5.0 28.3 53 119 A P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 45,-0.1 -0.220 56.1 -84.3 -60.6 154.0 36.3 2.3 26.8 54 120 A P - 0 0 34 0, 0.0 -4,-0.0 0, 0.0 5,-0.0 -0.441 57.1 -90.2 -66.0 132.7 34.8 -0.3 29.1 55 121 A P >> - 0 0 77 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.239 39.4-119.0 -45.6 121.7 37.1 -3.2 30.0 56 122 A A H 3> S+ 0 0 40 1,-0.2 4,-0.8 2,-0.2 37,-0.1 0.599 110.9 52.2 -41.9 -16.9 36.5 -5.8 27.4 57 123 A E H 3> S+ 0 0 139 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.898 110.4 42.7 -90.9 -44.9 35.4 -8.2 30.1 58 124 A Q H <> S+ 0 0 103 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.926 117.9 48.5 -67.6 -40.5 32.8 -6.1 31.9 59 125 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.917 112.1 50.0 -64.0 -40.8 31.5 -5.0 28.6 60 126 A L H X S+ 0 0 13 -4,-0.8 4,-3.3 -5,-0.4 5,-0.3 0.922 108.5 49.8 -64.9 -46.9 31.4 -8.5 27.3 61 127 A S H X S+ 0 0 56 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.903 114.4 46.4 -60.5 -37.2 29.5 -9.9 30.3 62 128 A Q H X S+ 0 0 59 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.875 113.8 48.9 -70.1 -38.3 27.0 -7.1 29.9 63 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.939 111.3 48.3 -66.6 -47.6 26.8 -7.7 26.2 64 130 A R H X S+ 0 0 91 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.911 110.8 52.4 -60.1 -43.7 26.3 -11.5 26.7 65 131 A D H X S+ 0 0 65 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.884 110.4 46.8 -60.1 -45.1 23.6 -10.9 29.3 66 132 A F H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.917 110.6 52.0 -63.8 -44.8 21.7 -8.6 26.9 67 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.905 109.3 50.7 -58.5 -40.1 21.9 -11.0 24.0 68 134 A N H X S+ 0 0 63 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.859 109.7 51.1 -64.8 -36.8 20.5 -13.7 26.3 69 135 A Q H X S+ 0 0 41 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.901 111.0 49.3 -66.3 -41.3 17.7 -11.4 27.2 70 136 A Y H X S+ 0 0 28 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.962 112.7 43.4 -63.9 -55.4 17.0 -10.8 23.6 71 137 A Y H X>S+ 0 0 16 -4,-2.7 5,-2.5 1,-0.2 4,-0.6 0.878 112.4 54.4 -60.8 -34.7 16.9 -14.4 22.4 72 138 A S H ><5S+ 0 0 56 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.923 105.4 54.4 -64.6 -38.8 14.8 -15.3 25.5 73 139 A S H 3<5S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 114.7 39.1 -63.9 -33.1 12.4 -12.6 24.5 74 140 A I H 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.403 116.3-117.4 -96.6 1.7 12.0 -14.2 21.0 75 141 A K T <<5S+ 0 0 158 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.858 82.1 113.0 66.6 45.2 12.2 -17.7 22.5 76 142 A R > < + 0 0 156 -5,-2.5 3,-1.6 -6,-0.1 6,-0.4 -0.169 34.8 155.5-133.3 33.5 15.4 -19.0 20.9 77 143 A S T 3 S+ 0 0 78 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.479 73.9 13.4 -65.8 131.2 17.5 -19.4 23.9 78 144 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -2,-0.2 5,-0.0 0.285 99.0 134.4 85.9 -11.3 20.3 -21.9 23.3 79 145 A S S <> S- 0 0 33 -3,-1.6 4,-2.1 1,-0.1 -1,-0.2 -0.040 72.3-107.2 -64.0 172.0 19.6 -21.9 19.6 80 146 A Q H > S+ 0 0 145 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.870 121.8 54.5 -69.0 -38.0 22.2 -21.8 16.9 81 147 A A H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 108.1 51.7 -62.0 -37.1 21.3 -18.2 16.1 82 148 A H H > S+ 0 0 6 -6,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.958 111.9 43.2 -64.7 -53.9 21.8 -17.4 19.8 83 149 A E H X S+ 0 0 97 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.853 114.2 52.3 -62.3 -36.5 25.3 -18.9 20.0 84 150 A E H X S+ 0 0 100 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.910 109.5 48.1 -67.0 -42.3 26.3 -17.4 16.7 85 151 A R H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.917 110.7 51.3 -64.4 -43.7 25.2 -13.9 17.8 86 152 A L H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.881 111.7 48.5 -59.5 -39.8 27.1 -14.3 21.1 87 153 A Q H X S+ 0 0 130 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.890 108.9 52.3 -66.0 -43.4 30.2 -15.3 19.1 88 154 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.827 110.1 49.2 -62.1 -36.5 29.8 -12.3 16.7 89 155 A V H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.924 111.7 47.5 -69.7 -46.9 29.7 -9.9 19.7 90 156 A E H X S+ 0 0 78 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 115.0 46.3 -60.8 -46.0 32.8 -11.4 21.4 91 157 A A H X S+ 0 0 61 -4,-2.5 4,-0.9 2,-0.2 5,-0.2 0.940 112.1 51.3 -61.6 -48.7 34.7 -11.3 18.1 92 158 A E H >X S+ 0 0 44 -4,-2.2 4,-2.9 1,-0.2 3,-0.7 0.907 115.4 41.0 -55.6 -47.8 33.6 -7.8 17.4 93 159 A V H 3X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.881 106.1 63.8 -69.8 -37.8 34.7 -6.6 20.8 94 160 A A H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.701 119.1 26.8 -59.5 -18.5 37.9 -8.6 20.7 95 161 A S H << S+ 0 0 106 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.763 133.6 27.6-112.8 -40.9 38.9 -6.4 17.8 96 162 A T H < S- 0 0 78 -4,-2.9 -3,-0.2 2,-0.4 -2,-0.2 0.609 94.0-121.3-101.7 -14.9 37.1 -3.0 18.1 97 163 A G S < S+ 0 0 26 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.644 90.3 40.4 81.2 14.7 36.7 -2.7 21.8 98 164 A T S S- 0 0 18 -6,-0.4 -2,-0.4 -9,-0.1 -1,-0.3 -0.927 70.5-142.4-170.8-179.1 32.9 -2.5 21.3 99 165 A Y - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 -10,-0.1 -0.883 14.2-117.6-149.3 178.6 30.1 -3.9 19.3 100 166 A H - 0 0 95 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.962 20.9-125.3-129.5 147.2 26.8 -2.9 17.5 101 167 A L - 0 0 8 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.650 23.8-117.1 -91.5 146.0 23.2 -4.0 18.0 102 168 A R >> - 0 0 118 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.422 35.2-108.1 -72.6 155.2 20.9 -5.3 15.3 103 169 A E H 3> S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.894 121.3 50.2 -51.7 -44.5 17.9 -3.1 14.6 104 170 A S H 3> S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.774 108.8 53.1 -66.6 -28.5 15.6 -5.6 16.3 105 171 A E H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.847 106.5 51.5 -74.5 -36.8 17.8 -5.7 19.3 106 172 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.914 110.6 49.1 -66.6 -41.9 17.8 -1.9 19.7 107 173 A V H X S+ 0 0 46 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.825 112.4 48.9 -64.5 -35.9 14.0 -1.9 19.6 108 174 A F H X S+ 0 0 27 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.942 113.7 44.9 -68.0 -50.7 13.9 -4.7 22.2 109 175 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.846 109.9 54.3 -62.5 -38.5 16.3 -2.9 24.5 110 176 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.919 112.6 43.7 -63.8 -42.7 14.7 0.5 24.2 111 177 A K H X S+ 0 0 59 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.851 113.2 52.4 -69.6 -33.7 11.3 -1.0 25.2 112 178 A Q H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.891 104.7 55.7 -70.0 -38.7 12.9 -3.0 28.0 113 179 A A H < S+ 0 0 0 -4,-2.5 296,-0.5 2,-0.2 4,-0.4 0.893 111.1 44.0 -60.7 -40.2 14.6 0.2 29.4 114 180 A W H >< S+ 0 0 33 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.957 112.4 52.5 -68.3 -46.5 11.2 1.8 29.7 115 181 A R H 3< S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.828 111.3 48.2 -56.4 -34.6 9.8 -1.4 31.2 116 182 A N T 3< S+ 0 0 4 -4,-2.3 289,-0.4 291,-0.2 -1,-0.3 0.467 79.9 118.4 -85.7 -6.9 12.6 -1.3 33.7 117 183 A A X - 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