==== 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 13-DEC-99 1DM6 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . 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) . 34627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 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 . 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 . 65 7.8 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 . 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 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 . 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 . 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 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-142.6 8.6 -19.2 53.3 2 68 A P - 0 0 57 0, 0.0 2,-1.2 0, 0.0 4,-0.0 -0.253 360.0-124.3 -56.7 142.5 10.1 -18.2 49.9 3 69 A K S S+ 0 0 197 14,-0.0 14,-0.0 2,-0.0 3,-0.0 -0.257 82.8 86.9 -86.1 49.3 13.6 -16.7 50.2 4 70 A F S S- 0 0 77 -2,-1.2 15,-0.1 17,-0.0 0, 0.0 -0.939 94.3 -69.6-139.8 160.8 12.6 -13.5 48.3 5 71 A P - 0 0 9 0, 0.0 13,-2.1 0, 0.0 2,-0.6 -0.260 45.2-137.0 -55.3 134.9 11.0 -10.2 49.5 6 72 A R E -A 17 0A 106 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.860 20.2-158.6 -95.3 123.1 7.4 -10.6 50.6 7 73 A V E -A 16 0A 9 9,-3.6 9,-2.2 -2,-0.6 2,-0.4 -0.908 6.4-164.3-110.3 126.9 5.3 -7.8 49.2 8 74 A K E -A 15 0A 59 -2,-0.5 391,-2.2 7,-0.2 2,-0.7 -0.866 17.9-152.2-116.6 142.6 2.0 -6.8 50.7 9 75 A N B > -B 398 0B 2 5,-2.6 4,-1.8 -2,-0.4 5,-0.3 -0.949 12.4-163.7-105.5 112.5 -1.0 -4.7 49.5 10 76 A W T 4 S+ 0 0 79 387,-2.6 388,-0.1 -2,-0.7 -1,-0.1 0.638 83.7 56.7 -74.7 -15.2 -2.6 -3.3 52.7 11 77 A E T 4 S+ 0 0 62 386,-0.4 -1,-0.2 383,-0.2 387,-0.1 0.910 124.0 21.6 -78.8 -45.4 -5.8 -2.3 51.0 12 78 A L T 4 S- 0 0 125 385,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.523 96.9-129.7 -99.4 -11.1 -6.6 -5.8 49.7 13 79 A G < + 0 0 44 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.493 57.1 147.0 74.2 2.4 -4.5 -7.8 52.1 14 80 A S - 0 0 58 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.3 -0.360 33.0-152.7 -73.4 153.0 -2.9 -9.7 49.2 15 81 A I E +A 8 0A 53 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.939 15.9 171.6-128.3 146.0 0.7 -10.9 49.2 16 82 A T E -A 7 0A 47 -9,-2.2 -9,-3.6 -2,-0.3 2,-0.4 -0.928 24.2-129.8-144.4 167.0 3.3 -11.6 46.5 17 83 A Y E -A 6 0A 62 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.982 14.3-137.7-124.3 133.8 7.0 -12.4 46.3 18 84 A D + 0 0 6 -13,-2.1 358,-0.2 -2,-0.4 357,-0.1 -0.806 34.6 157.1 -94.6 112.8 9.5 -10.6 44.2 19 85 A T > + 0 0 60 356,-2.1 3,-1.4 -2,-0.8 4,-0.2 0.566 63.9 77.2-104.1 -16.3 11.8 -13.1 42.5 20 86 A L G > S+ 0 0 14 355,-1.0 3,-2.2 1,-0.3 4,-0.2 0.791 78.1 71.3 -64.8 -28.8 12.8 -10.7 39.7 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.3 354,-0.2 -1,-0.3 0.692 82.0 74.8 -63.3 -14.5 15.1 -8.7 42.0 22 88 A A G < S+ 0 0 44 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.745 88.6 60.5 -67.2 -22.7 17.4 -11.8 41.8 23 89 A Q G < S+ 0 0 129 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.2 0.528 74.9 118.1 -82.7 -9.5 18.3 -10.7 38.3 24 90 A S < + 0 0 3 -3,-1.3 381,-0.2 -4,-0.2 3,-0.0 -0.414 36.3 179.2 -63.6 128.4 19.7 -7.3 39.3 25 91 A Q + 0 0 156 379,-0.5 2,-0.4 -2,-0.2 -1,-0.1 0.215 60.8 67.7-114.4 12.8 23.3 -7.0 38.4 26 92 A Q B S-C 404 0C 52 378,-0.6 378,-0.6 422,-0.2 -1,-0.1 -0.991 79.0-124.1-137.5 128.5 23.9 -3.4 39.7 27 93 A D - 0 0 88 -2,-0.4 421,-0.2 376,-0.1 376,-0.1 -0.355 18.8-148.7 -71.1 146.7 23.9 -2.2 43.3 28 94 A G - 0 0 13 419,-4.4 -1,-0.1 418,-0.2 421,-0.1 -0.125 35.3 -90.8 -94.7-161.7 21.7 0.6 44.5 29 95 A P S S+ 0 0 29 0, 0.0 2,-0.1 0, 0.0 419,-0.1 0.540 89.7 96.7 -93.9 -7.3 22.5 3.0 47.3 30 96 A C - 0 0 2 416,-0.3 5,-0.2 417,-0.1 -2,-0.2 -0.455 44.3-180.0 -85.5 158.2 21.0 1.1 50.3 31 97 A T B > -D 34 0D 41 3,-1.9 3,-0.7 415,-0.2 414,-0.3 -0.941 47.6 -97.4-145.8 161.6 22.7 -1.1 52.9 32 98 A P T 3 S+ 0 0 44 0, 0.0 411,-4.7 0, 0.0 413,-0.1 0.768 123.2 56.7 -54.2 -23.8 21.5 -3.1 55.9 33 99 A R T 3 S+ 0 0 96 1,-0.3 786,-0.4 409,-0.2 2,-0.3 0.859 120.9 0.6 -78.1 -38.3 22.7 -0.1 58.0 34 100 A R B < -D 31 0D 27 -3,-0.7 -3,-1.9 784,-0.1 2,-0.5 -0.986 61.6-126.7-157.1 146.0 20.7 2.6 56.3 35 101 A C B +E 817 0E 19 782,-3.0 782,-2.1 -2,-0.3 3,-0.2 -0.781 19.4 176.3 -93.4 127.5 18.2 3.2 53.6 36 102 A L > + 0 0 10 -2,-0.5 3,-1.5 780,-0.2 -1,-0.1 0.033 41.3 123.3-115.3 24.2 19.0 5.9 51.0 37 103 A G T 3 + 0 0 20 1,-0.3 -1,-0.1 780,-0.1 779,-0.1 0.745 66.1 61.1 -57.8 -26.7 15.8 5.3 48.9 38 104 A S T 3 S+ 0 0 21 777,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.679 76.5 109.8 -76.8 -19.1 14.7 8.9 49.2 39 105 A L < - 0 0 13 -3,-1.5 383,-0.1 776,-0.2 -3,-0.0 -0.381 57.2-154.0 -63.4 132.6 17.8 10.4 47.5 40 106 A V S S+ 0 0 28 1,-0.2 -1,-0.1 383,-0.1 -3,-0.0 0.917 88.2 20.4 -71.6 -47.4 17.0 11.8 44.0 41 107 A L S S+ 0 0 53 2,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.620 76.7 179.9-125.8 72.5 20.5 11.4 42.5 42 108 A P > - 0 0 22 0, 0.0 2,-3.0 0, 0.0 4,-0.6 -0.554 43.1-107.8 -75.1 135.9 22.4 8.8 44.5 43 109 A R T 4 S+ 0 0 131 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.330 94.7 89.7 -63.9 74.4 26.0 8.2 43.2 44 110 A K T 4 S+ 0 0 87 -2,-3.0 -1,-0.2 -18,-0.0 -16,-0.1 0.442 91.1 20.5-129.2 -85.3 25.1 4.8 41.8 45 111 A L T 4 S+ 0 0 48 -3,-0.3 -2,-0.1 2,-0.1 3,-0.1 0.836 85.3 137.3 -61.0 -33.2 23.9 4.5 38.2 46 112 A Q < - 0 0 33 -4,-0.6 2,-2.5 1,-0.2 366,-0.2 0.219 52.5-145.0 -19.2 92.4 25.4 8.0 37.6 47 113 A T - 0 0 14 364,-2.2 -1,-0.2 229,-0.1 3,-0.1 -0.421 22.6-169.4 -72.1 73.8 27.0 7.3 34.2 48 114 A R - 0 0 149 -2,-2.5 2,-0.0 364,-0.2 364,-0.0 -0.411 40.4 -83.2 -65.7 138.3 30.0 9.6 34.8 49 115 A P - 0 0 70 0, 0.0 -1,-0.2 0, 0.0 363,-0.0 -0.204 45.5-171.6 -48.0 112.4 32.0 10.2 31.6 50 116 A S + 0 0 58 1,-0.2 123,-0.2 -3,-0.1 -2,-0.0 -0.702 9.1 175.0-110.3 76.3 34.3 7.2 31.2 51 117 A P + 0 0 93 0, 0.0 122,-1.1 0, 0.0 -1,-0.2 0.939 55.3 74.3 -43.6 -78.6 36.6 8.3 28.3 52 118 A G S S- 0 0 51 120,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.130 105.9 -87.8 -43.5 129.3 39.1 5.5 28.0 53 119 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.001 51.8-101.1 -41.1 142.8 37.4 2.5 26.4 54 120 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 5,-0.0 -0.357 47.1 -81.5 -70.8 147.9 35.7 0.2 28.9 55 121 A P >> - 0 0 82 0, 0.0 4,-2.6 0, 0.0 3,-0.9 -0.291 35.6-140.8 -52.1 112.1 37.3 -3.1 30.1 56 122 A A H 3> S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.772 102.5 58.0 -46.3 -27.9 36.5 -5.6 27.3 57 123 A E H 3> S+ 0 0 170 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.918 109.0 40.5 -71.9 -45.0 36.0 -8.1 30.1 58 124 A Q H <> S+ 0 0 114 -3,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.890 117.8 49.0 -70.4 -39.7 33.3 -6.1 31.9 59 125 A L H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.927 106.8 55.3 -64.9 -46.6 31.6 -5.1 28.6 60 126 A L H X S+ 0 0 23 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.887 107.9 48.3 -55.7 -43.7 31.6 -8.6 27.2 61 127 A S H X S+ 0 0 46 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.876 112.7 48.2 -67.4 -36.8 29.7 -10.0 30.2 62 128 A Q H X S+ 0 0 57 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.894 113.7 48.1 -67.9 -39.7 27.1 -7.2 30.0 63 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.920 109.9 51.7 -65.5 -45.1 26.7 -7.8 26.3 64 130 A R H X S+ 0 0 94 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.903 109.0 51.3 -59.5 -41.7 26.3 -11.5 26.8 65 131 A D H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.928 110.6 48.1 -62.1 -45.5 23.6 -10.9 29.4 66 132 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.897 109.8 51.6 -62.8 -42.0 21.7 -8.6 27.0 67 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.867 109.0 51.6 -64.4 -34.9 21.9 -11.1 24.1 68 134 A N H X S+ 0 0 65 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.907 109.5 49.8 -67.6 -40.4 20.6 -13.8 26.4 69 135 A Q H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 111.6 49.8 -61.9 -44.0 17.7 -11.5 27.3 70 136 A Y H X S+ 0 0 26 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.949 113.3 43.1 -62.0 -50.7 17.0 -10.9 23.7 71 137 A Y H <>S+ 0 0 10 -4,-2.6 5,-3.0 1,-0.2 6,-0.4 0.823 112.7 54.0 -67.3 -27.9 17.0 -14.5 22.6 72 138 A S H ><5S+ 0 0 66 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.933 105.3 55.0 -68.2 -42.4 15.0 -15.4 25.6 73 139 A S H 3<5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 111.3 42.7 -60.7 -32.9 12.4 -12.8 24.6 74 140 A I T 3<5S- 0 0 67 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.208 116.1-115.5 -98.8 16.4 12.0 -14.3 21.1 75 141 A K T < 5S+ 0 0 158 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.829 86.0 110.6 55.6 43.0 12.0 -17.9 22.6 76 142 A R > < + 0 0 146 -5,-3.0 3,-1.8 -6,-0.1 6,-0.3 -0.077 36.4 155.7-133.5 32.4 15.2 -19.1 21.0 77 143 A S T 3 S+ 0 0 85 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.467 73.0 12.6 -67.2 122.8 17.4 -19.4 24.0 78 144 A G T 3 S+ 0 0 46 -2,-0.3 -1,-0.3 1,-0.2 -10,-0.0 0.369 98.4 134.1 93.0 -4.2 20.3 -21.8 23.4 79 145 A S S <> S- 0 0 37 -3,-1.8 4,-1.9 1,-0.1 -1,-0.2 -0.003 72.7-101.0 -69.6 179.1 19.6 -22.0 19.7 80 146 A Q H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.896 123.3 50.3 -69.8 -41.6 22.1 -21.8 16.9 81 147 A A H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 109.5 52.8 -65.1 -34.4 21.4 -18.2 16.2 82 148 A H H > S+ 0 0 7 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.941 112.6 42.3 -66.5 -49.2 21.8 -17.4 19.9 83 149 A E H X S+ 0 0 99 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.817 116.0 50.3 -68.2 -31.2 25.2 -19.0 20.2 84 150 A E H X S+ 0 0 92 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.896 109.9 49.1 -73.6 -41.0 26.3 -17.5 16.8 85 151 A R H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 110.3 52.2 -64.6 -39.0 25.2 -14.0 17.9 86 152 A L H X S+ 0 0 22 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.922 110.5 48.4 -61.5 -42.7 27.0 -14.5 21.1 87 153 A Q H X S+ 0 0 119 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.910 109.4 53.0 -61.9 -45.3 30.1 -15.4 19.1 88 154 A E H X S+ 0 0 92 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.882 109.0 48.3 -58.9 -43.2 29.7 -12.4 16.8 89 155 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 112.9 47.2 -65.3 -45.8 29.6 -10.0 19.7 90 156 A E H X S+ 0 0 81 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.924 113.7 48.8 -61.9 -44.5 32.6 -11.4 21.4 91 157 A A H X S+ 0 0 58 -4,-2.7 4,-1.5 2,-0.2 5,-0.2 0.937 112.5 47.2 -61.0 -48.7 34.5 -11.4 18.1 92 158 A E H X>S+ 0 0 54 -4,-2.6 4,-2.6 1,-0.2 6,-0.6 0.902 113.2 47.6 -61.6 -42.6 33.5 -7.8 17.4 93 159 A V H X5S+ 0 0 6 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.794 108.4 59.2 -68.1 -26.3 34.5 -6.6 20.9 94 160 A A H <5S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.836 117.1 27.8 -71.0 -35.3 37.7 -8.6 20.4 95 161 A S H <5S+ 0 0 100 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.1 0.750 135.6 26.4 -99.4 -28.7 38.9 -6.6 17.3 96 162 A T H <5S- 0 0 75 -4,-2.6 -3,-0.2 2,-0.4 -2,-0.1 0.545 96.7-121.8-111.3 -12.7 37.2 -3.2 17.8 97 163 A G S < - 0 0 104 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.472 33.5-105.1 -81.3 159.6 21.0 -5.2 15.4 103 169 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.936 122.1 45.9 -49.2 -56.1 17.8 -3.2 14.7 104 170 A S H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.839 110.2 55.5 -59.8 -33.7 15.5 -5.7 16.5 105 171 A E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 107.0 49.9 -66.5 -39.2 17.9 -5.8 19.4 106 172 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 -3,-0.3 5,-0.2 0.929 110.5 49.4 -64.6 -46.2 17.8 -2.0 19.8 107 173 A V H X S+ 0 0 44 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.929 112.9 46.5 -58.7 -48.7 14.0 -2.0 19.7 108 174 A F H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.922 114.2 49.0 -60.3 -45.2 13.8 -4.7 22.4 109 175 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.898 108.5 51.1 -63.1 -43.5 16.4 -2.9 24.5 110 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.920 113.0 46.6 -60.9 -44.4 14.7 0.5 24.4 111 177 A K H X S+ 0 0 55 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.927 111.2 51.0 -64.7 -43.3 11.4 -1.0 25.4 112 178 A Q H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.901 105.0 58.1 -61.7 -38.0 13.0 -3.0 28.2 113 179 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 296,-0.4 0.920 110.5 42.2 -56.7 -45.0 14.7 0.2 29.5 114 180 A W H >< S+ 0 0 36 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.982 113.6 51.8 -64.7 -55.5 11.3 1.8 29.9 115 181 A R H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.815 110.7 51.0 -48.8 -35.4 9.8 -1.3 31.4 116 182 A N H 3< S+ 0 0 3 -4,-2.6 289,-0.3 -5,-0.2 -1,-0.3 0.600 78.1 114.1 -83.0 -11.4 12.7 -1.4 33.9 117 183 A A X< - 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0 0 8 -5,-3.2 -1,-0.2 -6,-0.1 -192,-0.2 -0.965 55.2-105.1-118.3 128.4 -9.1 19.9 71.3 767 418 B T + 0 0 37 -194,-2.4 -59,-0.4 -2,-0.5 2,-0.3 -0.165 54.4 148.0 -51.1 133.1 -5.5 19.9 70.4 768 419 B I - 0 0 26 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.955 30.8-147.8-162.7 153.1 -4.8 19.0 66.7 769 420 B V B -h 709 0X 37 -61,-1.6 -59,-2.4 -2,-0.3 -58,-0.3 -0.996 14.4-132.8-133.5 133.5 -2.2 20.0 64.1 770 421 B D > - 0 0 8 -2,-0.4 4,-2.5 -61,-0.2 5,-0.2 -0.367 29.8-109.4 -78.0 164.1 -2.6 20.3 60.3 771 422 B H H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.754 115.1 54.6 -67.0 -26.4 -0.1 18.7 58.0 772 423 B H H > S+ 0 0 7 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.961 112.6 41.7 -71.2 -51.9 1.4 22.0 56.8 773 424 B A H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.951 115.3 51.9 -58.7 -49.3 2.2 23.2 60.4 774 425 B A H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.897 111.4 45.4 -54.5 -48.5 3.4 19.7 61.4 775 426 B T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.887 110.1 54.4 -67.4 -37.2 5.8 19.4 58.4 776 427 B V H X S+ 0 0 85 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.929 109.5 48.3 -60.6 -43.7 7.1 22.9 58.9 777 428 B S H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.840 107.2 56.0 -66.1 -32.2 8.0 22.1 62.5 778 429 B F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.859 102.3 55.9 -68.6 -33.9 9.7 18.8 61.5 779 430 B M H X S+ 0 0 38 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.886 108.3 48.0 -63.5 -38.7 12.0 20.8 59.2 780 431 B K H X S+ 0 0 108 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.899 110.3 52.6 -66.3 -40.6 13.0 22.9 62.2 781 432 B H H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.895 105.8 53.7 -61.5 -41.8 13.5 19.6 64.1 782 433 B L H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.921 111.4 45.6 -59.0 -44.3 15.7 18.3 61.3 783 434 B D H X S+ 0 0 72 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.917 112.1 51.1 -65.2 -44.2 17.9 21.4 61.6 784 435 B N H X S+ 0 0 62 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.893 114.0 45.1 -59.5 -40.5 17.9 21.1 65.5 785 436 B E H X>S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 6,-1.2 0.812 104.9 60.5 -74.6 -31.1 19.0 17.5 65.2 786 437 B Q H X5S+ 0 0 51 -4,-2.1 4,-1.1 4,-0.3 -2,-0.2 0.942 113.6 37.9 -61.0 -44.7 21.6 18.2 62.5 787 438 B K H <5S+ 0 0 154 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.891 120.6 46.1 -72.5 -42.1 23.4 20.5 65.0 788 439 B A H <5S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.949 136.6 1.9 -68.3 -51.8 22.8 18.4 68.1 789 440 B R H <5S- 0 0 56 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.449 97.0-106.2-119.5 -2.9 23.7 14.9 66.8 790 441 B G S <> - 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