==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAR-11 3R6W . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.RYAN,K.KAPLAN,N.LAURIERI,E.LOWE,E.SIM . 408 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 40 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 2 0 0 2 2 0 1 0 0 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 1 3 1 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 . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 122 0, 0.0 36,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 98.6 27.0 -11.6 21.2 2 2 A S - 0 0 20 210,-0.1 2,-0.5 34,-0.1 35,-0.2 -0.286 360.0-130.4 -53.9 136.2 30.3 -12.6 22.8 3 3 A R - 0 0 72 33,-0.1 86,-3.7 84,-0.1 87,-2.0 -0.827 30.3-144.6 -86.3 131.9 31.9 -9.8 25.0 4 4 A I E -ab 38 90A 1 33,-3.2 35,-3.0 -2,-0.5 2,-0.5 -0.825 20.0-166.6-111.3 136.2 35.5 -9.4 24.0 5 5 A L E -ab 39 91A 1 85,-2.5 87,-2.9 -2,-0.4 2,-0.5 -0.975 13.3-162.9-113.5 119.1 38.6 -8.7 26.0 6 6 A A E -ab 40 92A 0 33,-3.7 35,-3.6 -2,-0.5 2,-0.6 -0.894 4.3-169.5-105.5 124.2 41.6 -7.7 23.8 7 7 A V E -ab 41 93A 0 85,-3.5 87,-2.6 -2,-0.5 2,-0.5 -0.938 6.7-161.9-115.3 110.4 45.0 -7.8 25.3 8 8 A H E +ab 42 94A 3 33,-1.4 35,-2.6 -2,-0.6 36,-1.1 -0.826 13.7 175.0 -99.3 124.0 47.7 -6.2 23.2 9 9 A A + 0 0 0 85,-2.7 97,-0.2 -2,-0.5 96,-0.2 0.508 43.0 103.6-112.1 -5.8 51.3 -7.2 24.0 10 10 A S - 0 0 3 84,-0.2 34,-0.3 1,-0.1 35,-0.3 -0.640 60.0-148.1 -75.9 134.5 53.4 -5.5 21.3 11 11 A P S S+ 0 0 5 0, 0.0 254,-0.5 0, 0.0 2,-0.2 0.639 76.9 92.9 -67.0 -17.6 55.3 -2.3 22.5 12 12 A R - 0 0 56 1,-0.1 -2,-0.1 252,-0.1 7,-0.1 -0.500 60.2-163.7 -84.9 151.6 54.9 -1.1 18.9 13 13 A G S > S- 0 0 15 -2,-0.2 3,-1.5 6,-0.0 7,-0.2 0.677 74.1 -1.5 -97.2-106.2 51.9 1.1 17.9 14 14 A E T 3 S+ 0 0 191 1,-0.3 -2,-0.1 5,-0.1 6,-0.1 0.795 134.9 55.6 -57.5 -29.0 50.9 1.7 14.3 15 15 A R T 3 S+ 0 0 178 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.528 78.5 109.4 -86.5 -8.5 53.8 -0.5 13.2 16 16 A S <> - 0 0 2 -3,-1.5 4,-1.8 1,-0.2 5,-0.1 -0.574 47.9-169.1 -69.7 121.1 52.9 -3.6 15.3 17 17 A Q H > S+ 0 0 43 -2,-0.5 4,-2.8 2,-0.2 5,-0.3 0.870 87.9 53.5 -74.9 -38.6 51.7 -6.3 12.9 18 18 A S H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.963 113.5 43.4 -63.5 -46.3 50.4 -8.4 15.8 19 19 A R H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 113.6 51.9 -57.4 -49.4 48.3 -5.4 17.0 20 20 A R H X S+ 0 0 83 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.920 110.6 46.8 -57.4 -46.7 47.2 -4.5 13.4 21 21 A L H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.903 111.6 50.5 -65.8 -40.8 46.0 -8.0 12.7 22 22 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.885 109.1 52.7 -62.7 -36.8 44.1 -8.3 15.9 23 23 A E H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.851 104.3 56.0 -70.1 -33.4 42.5 -5.0 15.2 24 24 A V H X S+ 0 0 32 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.946 109.9 46.3 -58.4 -47.4 41.4 -6.3 11.8 25 25 A F H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.951 113.5 48.2 -60.3 -47.4 39.7 -9.1 13.6 26 26 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.913 112.0 47.6 -63.3 -46.0 38.0 -6.8 16.2 27 27 A A H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.951 113.5 48.3 -58.1 -49.7 36.7 -4.3 13.6 28 28 A A H X S+ 0 0 17 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.906 112.0 49.8 -59.1 -40.3 35.3 -7.2 11.5 29 29 A Y H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 3,-0.2 0.931 109.4 52.0 -63.3 -43.2 33.7 -8.6 14.6 30 30 A R H < S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.885 104.5 56.2 -57.5 -44.3 32.3 -5.2 15.4 31 31 A E H < S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.9 40.0 -57.7 -38.1 30.7 -4.9 11.9 32 32 A A H < S+ 0 0 51 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.663 126.6 35.8 -86.4 -16.3 28.9 -8.2 12.5 33 33 A H >< + 0 0 34 -4,-1.4 3,-2.4 -3,-0.2 -1,-0.2 -0.545 63.2 172.5-138.6 71.8 28.0 -7.4 16.1 34 34 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.774 83.9 46.7 -51.8 -34.1 27.3 -3.7 16.5 35 35 A Q T 3 S+ 0 0 169 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.422 85.7 119.1 -90.9 1.2 26.1 -4.1 20.1 36 36 A A < - 0 0 7 -3,-2.4 2,-0.4 -6,-0.2 -33,-0.1 -0.386 63.3-125.4 -70.1 142.0 29.1 -6.3 21.2 37 37 A R - 0 0 168 -36,-0.2 -33,-3.2 -35,-0.2 2,-0.5 -0.741 24.9-171.7 -90.1 134.7 31.3 -5.0 24.0 38 38 A V E -a 4 0A 40 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.983 1.6-173.2-127.2 120.0 35.0 -4.8 23.4 39 39 A A E -a 5 0A 44 -35,-3.0 -33,-3.7 -2,-0.5 2,-0.5 -0.923 10.4-151.1-110.1 140.1 37.5 -4.0 26.1 40 40 A R E -a 6 0A 134 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.931 8.2-170.1-113.9 131.2 41.1 -3.3 25.5 41 41 A R E -a 7 0A 42 -35,-3.6 -33,-1.4 -2,-0.5 2,-0.6 -0.953 15.2-148.9-119.2 108.5 43.9 -4.1 28.0 42 42 A E E +a 8 0A 41 -2,-0.5 -33,-0.1 -35,-0.2 -35,-0.1 -0.675 33.3 153.7 -81.8 121.4 47.3 -2.7 27.0 43 43 A V S S+ 0 0 2 -35,-2.6 5,-0.4 -2,-0.6 -34,-0.2 0.344 70.4 54.4-123.1 2.6 50.3 -4.7 28.2 44 44 A G S S+ 0 0 17 -36,-1.1 -35,-0.1 -34,-0.3 61,-0.1 0.847 114.0 32.0-100.8 -48.3 52.8 -3.7 25.5 45 45 A R S S+ 0 0 139 -37,-0.3 -36,-0.1 -35,-0.3 -3,-0.1 0.381 117.4 64.8 -93.2 2.6 52.9 0.0 25.5 46 46 A V S S- 0 0 65 2,-0.0 2,-0.9 0, 0.0 -1,-0.0 -0.992 88.4-122.1-124.9 128.9 52.2 0.1 29.3 47 47 A P - 0 0 120 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.618 29.0-155.1 -73.9 109.0 54.6 -1.3 31.8 48 48 A L - 0 0 18 -2,-0.9 60,-0.1 -5,-0.4 61,-0.1 -0.736 26.3-104.3 -85.1 125.2 52.6 -3.9 33.7 49 49 A P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 -0.117 32.3-126.2 -46.6 133.1 53.9 -4.5 37.3 50 50 A A - 0 0 40 1,-0.1 2,-0.3 61,-0.0 58,-0.1 -0.357 38.3 -87.0 -70.8 160.7 55.8 -7.8 37.8 51 51 A V - 0 0 12 -2,-0.1 2,-0.2 4,-0.1 266,-0.1 -0.594 53.8-163.5 -67.9 132.1 54.7 -10.2 40.5 52 52 A T > - 0 0 71 -2,-0.3 4,-2.1 22,-0.1 5,-0.1 -0.580 34.8-101.1-111.2 175.7 56.4 -9.2 43.8 53 53 A E H > S+ 0 0 55 170,-0.5 4,-2.5 1,-0.2 5,-0.2 0.885 123.8 54.5 -63.8 -36.3 56.9 -10.9 47.1 54 54 A A H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 106.2 52.3 -65.8 -36.1 54.0 -8.9 48.6 55 55 A F H > S+ 0 0 10 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.942 109.4 49.2 -61.9 -48.4 51.8 -10.1 45.8 56 56 A V H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.946 110.7 50.1 -56.0 -50.1 52.7 -13.8 46.5 57 57 A A H < S+ 0 0 49 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.874 117.3 40.5 -57.3 -40.2 52.1 -13.3 50.3 58 58 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.944 114.2 50.1 -75.9 -47.1 48.7 -11.8 49.6 59 59 A A H 3< S+ 0 0 4 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.769 118.8 39.0 -64.2 -26.7 47.6 -14.1 46.8 60 60 A F T 3< S+ 0 0 111 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.270 79.0 140.7-109.8 9.4 48.5 -17.2 48.8 61 61 A H < - 0 0 43 -3,-1.2 6,-0.1 -4,-0.2 -3,-0.1 -0.321 52.2-138.5 -52.7 124.5 47.3 -16.0 52.2 62 62 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.750 100.3 40.9 -65.5 -26.1 45.6 -19.0 53.9 63 63 A Q S > S- 0 0 87 1,-0.1 3,-2.4 2,-0.0 4,-0.2 -0.726 74.9-179.8-115.8 80.7 42.7 -16.8 55.3 64 64 A P G > S+ 0 0 60 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.824 76.2 59.2 -51.8 -40.8 42.1 -14.6 52.3 65 65 A E G 3 S+ 0 0 148 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.614 99.6 62.0 -67.0 -8.9 39.2 -12.5 53.9 66 66 A Q G < S+ 0 0 122 -3,-2.4 -1,-0.3 -5,-0.1 2,-0.0 0.352 71.9 131.2 -98.0 5.7 41.7 -11.5 56.6 67 67 A R < - 0 0 43 -3,-2.0 -9,-0.0 -4,-0.2 5,-0.0 -0.345 61.3-117.8 -56.6 133.8 44.1 -9.7 54.2 68 68 A S > - 0 0 59 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.146 29.0-103.0 -58.3 167.0 45.0 -6.2 55.5 69 69 A L H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.826 125.4 56.5 -62.8 -32.4 44.0 -3.2 53.4 70 70 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 106.1 48.7 -65.0 -43.7 47.6 -3.1 52.3 71 71 A M H > S+ 0 0 36 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.896 109.3 52.5 -62.3 -41.4 47.5 -6.7 51.0 72 72 A Q H >X S+ 0 0 97 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.897 106.8 53.5 -60.7 -40.3 44.3 -5.9 49.2 73 73 A A H >< S+ 0 0 65 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.879 103.0 57.4 -59.7 -38.0 46.1 -3.0 47.6 74 74 A D H 3< S+ 0 0 71 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.791 114.6 38.1 -64.0 -26.0 48.8 -5.4 46.5 75 75 A L H S+ 0 0 46 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.936 114.0 51.5 -60.8 -46.2 45.5 -4.5 39.8 78 78 A S H > S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.938 108.7 50.8 -55.6 -48.9 45.2 -8.3 39.7 79 79 A D H X S+ 0 0 80 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.873 111.7 48.2 -56.6 -40.9 41.5 -8.1 40.8 80 80 A Q H X S+ 0 0 107 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.924 113.5 46.8 -65.3 -43.8 40.9 -5.6 38.0 81 81 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.893 114.1 46.7 -66.8 -42.1 42.7 -7.7 35.4 82 82 A V H X S+ 0 0 6 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.913 108.8 56.0 -64.6 -43.6 40.9 -10.9 36.5 83 83 A G H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.885 103.0 54.8 -55.9 -42.3 37.6 -9.1 36.5 84 84 A E H X S+ 0 0 39 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.889 110.1 47.6 -58.4 -39.8 38.1 -8.1 32.8 85 85 A L H >< S+ 0 0 0 -4,-1.3 3,-1.1 -3,-0.2 -2,-0.2 0.933 110.1 50.4 -67.3 -49.7 38.6 -11.8 32.0 86 86 A F H 3< S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 108.1 54.8 -55.8 -38.2 35.5 -12.9 33.9 87 87 A D H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.727 100.5 79.5 -67.8 -20.5 33.5 -10.2 32.1 88 88 A S << - 0 0 2 -3,-1.1 -84,-0.2 -4,-0.7 3,-0.1 -0.522 52.7-168.6 -96.4 155.0 34.6 -11.6 28.7 89 89 A D S S+ 0 0 59 -86,-3.7 50,-1.8 1,-0.3 2,-0.4 0.750 85.0 35.2 -99.5 -38.3 33.5 -14.5 26.5 90 90 A L E -bc 4 139A 7 -87,-2.0 -85,-2.5 48,-0.2 2,-0.5 -0.969 69.5-156.4-123.8 129.3 36.3 -14.3 24.1 91 91 A L E -bc 5 140A 1 48,-2.8 50,-3.1 -2,-0.4 2,-0.5 -0.905 6.8-167.4-104.7 128.4 39.9 -13.3 24.9 92 92 A V E -bc 6 141A 0 -87,-2.9 -85,-3.5 -2,-0.5 2,-0.5 -0.972 3.5-172.1-115.7 117.7 42.0 -12.0 22.1 93 93 A I E -bc 7 142A 0 48,-2.6 50,-2.9 -2,-0.5 2,-0.5 -0.946 5.4-163.4-108.4 122.2 45.8 -11.7 22.7 94 94 A S E +bc 8 143A 0 -87,-2.6 -85,-2.7 -2,-0.5 -84,-0.2 -0.911 24.2 163.0 -99.9 130.1 48.0 -10.0 20.2 95 95 A T E - c 0 144A 0 48,-2.6 50,-1.3 -2,-0.5 2,-0.1 -0.974 34.5-139.0-151.5 137.2 51.7 -10.7 20.7 96 96 A P E - c 0 145A 12 0, 0.0 2,-0.6 0, 0.0 50,-0.2 -0.380 34.9-113.6 -67.7 162.9 55.1 -10.6 19.0 97 97 A M - 0 0 26 48,-1.4 2,-0.5 5,-0.1 50,-0.3 -0.949 38.7-174.2 -91.5 120.5 57.5 -13.4 19.4 98 98 A Y B > -E 101 0B 39 3,-3.5 3,-1.6 -2,-0.6 225,-0.1 -0.967 67.4 -23.4-120.4 113.4 60.3 -11.9 21.4 99 99 A N T 3 S- 0 0 36 -2,-0.5 279,-0.2 1,-0.3 -1,-0.1 0.902 125.8 -50.6 50.1 49.4 63.3 -14.2 21.9 100 100 A F T 3 S+ 0 0 19 1,-0.3 62,-2.0 277,-0.1 -1,-0.3 0.527 133.2 56.4 69.7 7.7 61.4 -17.4 21.4 101 101 A S B < S-E 98 0B 2 -3,-1.6 -3,-3.5 60,-0.1 -1,-0.3 -0.637 95.0 -71.7-139.4-155.6 58.8 -16.3 23.9 102 102 A V - 0 0 0 60,-0.4 -5,-0.1 -5,-0.2 5,-0.1 -0.628 59.2 -80.3-100.7 161.7 56.4 -13.3 24.5 103 103 A P >> - 0 0 8 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.290 44.8-113.1 -58.4 149.2 57.2 -9.8 25.6 104 104 A S H 3> S+ 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.840 114.1 62.5 -60.4 -33.9 57.8 -9.5 29.3 105 105 A G H 3> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.845 103.3 49.4 -57.8 -34.6 54.7 -7.4 29.8 106 106 A L H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.883 109.0 51.9 -73.2 -38.7 52.5 -10.2 28.5 107 107 A K H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.917 109.2 51.1 -60.7 -41.9 54.2 -12.6 30.9 108 108 A A H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.894 106.6 54.0 -64.9 -36.6 53.5 -10.2 33.7 109 109 A W H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 3,-0.4 0.948 109.6 47.9 -60.8 -47.8 49.8 -10.0 32.7 110 110 A I H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.7 0.936 108.2 54.5 -56.0 -48.3 49.6 -13.8 32.9 111 111 A D H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 109.2 49.9 -60.1 -26.5 51.3 -13.7 36.4 112 112 A Q H 3< S+ 0 0 7 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.774 112.1 45.1 -78.9 -29.1 48.6 -11.3 37.6 113 113 A I H << S+ 0 0 0 -4,-1.4 2,-1.0 -3,-0.7 -2,-0.2 0.540 86.8 86.6-101.7 -6.4 45.6 -13.3 36.4 114 114 A V < + 0 0 12 -4,-1.3 2,-0.4 -5,-0.1 -1,-0.1 -0.835 66.2 170.2 -90.6 101.4 46.5 -16.8 37.5 115 115 A R >>> - 0 0 5 -2,-1.0 3,-2.5 -37,-0.0 4,-2.2 -0.964 37.7-117.3-128.5 122.2 45.1 -16.5 41.1 116 116 A L B 345S+f 120 0C 35 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.271 102.7 8.0 -55.5 133.5 44.5 -19.1 43.7 117 117 A G T 345S+ 0 0 43 3,-2.4 -1,-0.3 1,-0.1 4,-0.2 0.429 130.4 61.1 74.2 -1.7 40.8 -19.4 44.6 118 118 A V T <45S+ 0 0 43 -3,-2.5 -2,-0.2 2,-0.6 -1,-0.1 0.732 121.8 4.0-120.2 -57.5 39.9 -17.1 41.7 119 119 A T T <5S+ 0 0 0 -4,-2.2 15,-2.1 1,-0.3 16,-0.6 0.466 137.9 12.3-110.8 -7.0 41.0 -18.5 38.3 120 120 A F E < -fG 116 133C 15 -5,-1.4 -3,-2.4 13,-0.3 -2,-0.6 -0.966 64.1-177.4-154.2 162.2 42.3 -21.8 39.7 121 121 A D E - G 0 132C 54 11,-2.6 11,-2.7 -2,-0.3 2,-0.3 -0.860 7.3-153.6-145.6-176.2 42.1 -23.8 42.9 122 122 A F E - G 0 131C 75 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.988 6.1-154.8-157.7 154.6 43.4 -27.0 44.4 123 123 A V E - G 0 130C 96 7,-1.5 7,-3.0 -2,-0.3 2,-0.8 -0.915 31.3-112.7-123.2 159.4 42.6 -29.7 47.0 124 124 A L E + G 0 129C 122 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.844 33.9 169.9 -94.7 108.9 45.2 -31.9 48.8 125 125 A D 0 0 107 3,-1.6 -1,-0.1 -2,-0.8 4,-0.1 -0.408 360.0 360.0-104.6 50.6 44.7 -35.5 47.7 126 126 A N 0 0 162 4,-0.0 -1,-0.2 -2,-0.0 3,-0.1 0.715 360.0 360.0 -56.2 360.0 48.0 -36.3 49.5 127 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 128 128 A V 0 0 101 0, 0.0 -3,-1.6 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 88.0 49.7 -34.3 46.3 129 129 A A E -G 124 0C 36 -5,-0.2 2,-0.5 -3,-0.1 -5,-0.2 -0.273 360.0-153.9 -55.0 133.2 47.9 -31.0 45.3 130 130 A Q E -G 123 0C 92 -7,-3.0 -7,-1.5 2,-0.0 2,-0.2 -0.950 12.3-146.0-116.7 114.5 45.3 -31.4 42.6 131 131 A Y E -G 122 0C 117 -2,-0.5 -9,-0.3 -9,-0.2 -11,-0.0 -0.469 13.8-171.0 -87.0 148.7 44.6 -28.3 40.5 132 132 A R E -G 121 0C 118 -11,-2.7 -11,-2.6 -2,-0.2 2,-0.2 -0.999 20.7-128.3-138.2 133.4 41.3 -27.2 39.0 133 133 A P E -G 120 0C 47 0, 0.0 -13,-0.3 0, 0.0 41,-0.2 -0.538 12.8-164.4 -78.5 146.5 40.6 -24.4 36.5 134 134 A L + 0 0 40 -15,-2.1 2,-0.4 40,-0.4 -14,-0.2 0.461 60.0 93.4-113.8 -6.4 37.9 -21.9 37.5 135 135 A L + 0 0 3 39,-2.4 2,-0.3 -16,-0.6 -16,-0.0 -0.758 53.8 177.1 -85.8 132.2 37.2 -20.2 34.2 136 136 A R + 0 0 189 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.979 52.7 20.2-135.7 151.1 34.4 -21.7 32.1 137 137 A G S S+ 0 0 73 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.616 89.6 126.8 74.6 14.0 32.7 -21.0 28.9 138 138 A K - 0 0 28 37,-0.3 40,-0.5 -48,-0.0 2,-0.3 -0.676 39.3-165.5-105.0 159.4 35.6 -18.9 27.5 139 139 A R E -cd 90 178A 52 -50,-1.8 -48,-2.8 -2,-0.2 2,-0.4 -0.949 7.8-148.2-134.7 156.4 37.6 -19.1 24.3 140 140 A A E -cd 91 179A 3 38,-2.7 40,-2.3 -2,-0.3 2,-0.4 -0.974 6.3-163.5-128.2 145.0 40.9 -17.4 23.3 141 141 A L E -cd 92 180A 6 -50,-3.1 -48,-2.6 -2,-0.4 2,-0.6 -0.997 10.5-161.1-121.4 122.9 42.3 -16.2 20.0 142 142 A I E -cd 93 181A 0 38,-3.3 40,-3.0 -2,-0.4 2,-0.6 -0.927 4.2-169.8-106.5 119.0 46.0 -15.6 19.8 143 143 A V E +cd 94 182A 0 -50,-2.9 -48,-2.6 -2,-0.6 2,-0.3 -0.948 17.8 174.7-109.5 117.7 47.2 -13.4 17.0 144 144 A T E -cd 95 183A 0 38,-2.6 40,-2.4 -2,-0.6 2,-0.4 -0.891 23.2-159.1-131.2 154.0 51.0 -13.4 16.7 145 145 A S E -cd 96 184A 13 -50,-1.3 -48,-1.4 -2,-0.3 2,-0.3 -0.994 11.9-168.9-132.0 137.6 53.7 -12.1 14.4 146 146 A R - 0 0 8 38,-2.0 41,-2.4 -2,-0.4 40,-0.2 -0.964 24.0-141.1-130.4 144.5 57.2 -13.5 14.1 147 147 A G S S+ 0 0 15 -2,-0.3 41,-2.3 -50,-0.3 42,-0.8 0.919 87.7 37.0 -69.7 -44.0 60.3 -12.1 12.4 148 148 A G S S- 0 0 22 38,-0.2 38,-2.3 39,-0.2 39,-0.4 -0.015 84.2-108.0 -94.6-161.7 61.5 -15.5 11.1 149 149 A H S S+ 0 0 120 36,-0.2 8,-0.1 37,-0.1 -1,-0.1 -0.849 77.4 43.8-131.3 164.5 59.8 -18.6 9.7 150 150 A G + 0 0 15 -2,-0.3 7,-1.8 6,-0.1 8,-0.2 0.670 64.5 120.4 79.8 20.6 59.0 -22.1 10.7 151 151 A F + 0 0 18 -3,-0.1 10,-0.1 5,-0.1 3,-0.1 0.543 58.1 83.8 -90.1 -7.3 57.9 -21.7 14.2 152 152 A G S > S- 0 0 17 1,-0.2 3,-1.9 31,-0.0 6,-0.1 -0.175 101.0 -53.3 -84.9-179.1 54.4 -23.2 13.5 153 153 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.336 130.0 12.6 -58.7 134.8 53.4 -26.8 13.5 154 154 A G T 3 S+ 0 0 73 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.136 98.5 139.3 84.2 -19.6 55.7 -28.9 11.2 155 155 A G X - 0 0 21 -3,-1.9 3,-1.5 1,-0.1 -1,-0.3 -0.141 65.8-120.8 -60.4 152.0 58.1 -25.9 11.0 156 156 A E T 3 S+ 0 0 170 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.801 115.8 40.0 -59.6 -31.4 61.8 -26.4 11.1 157 157 A N T > S+ 0 0 40 -7,-1.8 3,-1.3 1,-0.2 4,-0.4 0.056 77.7 120.4-108.1 22.7 62.0 -24.3 14.2 158 158 A Q G X S+ 0 0 100 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.888 71.2 56.4 -55.8 -42.3 58.8 -25.6 15.9 159 159 A A G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.731 101.2 59.2 -66.7 -18.9 60.7 -26.8 19.0 160 160 A M G < S+ 0 0 54 -3,-1.3 2,-1.0 217,-0.1 -1,-0.3 0.583 79.6 106.5 -82.2 -9.5 62.1 -23.3 19.6 161 161 A N < + 0 0 7 -3,-1.8 -60,-0.1 -4,-0.4 -1,-0.0 -0.600 27.6 151.5 -81.2 103.6 58.6 -21.8 19.9 162 162 A H + 0 0 16 -62,-2.0 -60,-0.4 -2,-1.0 -1,-0.2 -0.067 57.1 76.8-116.0 29.7 57.9 -21.0 23.5 163 163 A A S > S+ 0 0 0 -62,-0.3 4,-2.3 3,-0.1 3,-0.3 0.743 105.5 12.4-100.6 -87.8 55.5 -18.1 22.8 164 164 A D H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 126.0 56.2 -66.6 -36.1 52.0 -19.3 21.7 165 165 A P H > S+ 0 0 44 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.915 111.5 46.4 -60.8 -35.3 52.5 -22.9 22.7 166 166 A W H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.888 109.6 52.8 -70.8 -43.0 53.3 -21.7 26.2 167 167 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.887 106.2 54.6 -54.0 -42.4 50.3 -19.3 26.2 168 168 A R H X S+ 0 0 116 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 109.8 47.6 -62.0 -41.2 48.1 -22.2 25.3 169 169 A T H X S+ 0 0 34 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.905 112.8 46.4 -66.1 -43.9 49.4 -24.1 28.3 170 170 A A H X S+ 0 0 2 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.910 115.1 46.5 -67.7 -43.1 49.0 -21.2 30.8 171 171 A L H >X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.9 0.894 108.6 56.0 -64.4 -41.9 45.5 -20.4 29.6 172 172 A G H ><5S+ 0 0 28 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.871 98.7 63.2 -56.4 -37.9 44.5 -24.1 29.7 173 173 A F H 3<5S+ 0 0 44 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.0 42.0 -59.8 -30.8 45.6 -24.1 33.4 174 174 A I H <<5S- 0 0 0 -3,-0.9 -39,-2.4 -4,-0.7 -40,-0.4 0.458 131.7 -88.8-101.0 -0.1 42.8 -21.6 34.3 175 175 A G T <<5S+ 0 0 9 -3,-0.9 2,-1.1 -4,-0.7 -37,-0.3 0.446 87.9 123.1 117.4 2.5 40.2 -23.3 32.1 176 176 A I < + 0 0 0 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.748 20.6 147.7 -92.7 91.0 40.5 -21.7 28.6 177 177 A D + 0 0 127 -2,-1.1 2,-1.2 -39,-0.3 -1,-0.2 0.581 47.9 85.6-104.3 -10.6 41.1 -24.8 26.5 178 178 A E E +d 139 0A 120 -40,-0.5 -38,-2.7 -3,-0.2 2,-0.4 -0.748 63.7 159.0 -86.2 94.9 39.4 -23.6 23.3 179 179 A V E -d 140 0A 12 -2,-1.2 2,-0.4 -40,-0.2 -38,-0.2 -0.973 25.3-167.3-128.1 126.3 42.4 -21.7 21.8 180 180 A T E -d 141 0A 45 -40,-2.3 -38,-3.3 -2,-0.4 2,-0.5 -0.906 7.7-155.7-112.1 138.7 43.0 -20.7 18.2 181 181 A V E -d 142 0A 39 -2,-0.4 2,-0.5 -40,-0.2 -38,-0.2 -0.962 8.9-175.0-116.7 127.7 46.3 -19.4 17.0 182 182 A V E -d 143 0A 7 -40,-3.0 -38,-2.6 -2,-0.5 2,-0.4 -0.987 16.5-173.6-120.4 119.2 46.7 -17.2 13.9 183 183 A A E -d 144 0A 37 -2,-0.5 2,-0.4 -40,-0.2 -38,-0.2 -0.935 20.1-162.9-122.4 136.9 50.3 -16.5 13.0 184 184 A A E -d 145 0A 0 -40,-2.4 -38,-2.0 -2,-0.4 2,-0.3 -0.943 21.6-171.3-107.8 137.4 52.1 -14.3 10.5 185 185 A E + 0 0 42 -2,-0.4 -36,-0.2 -40,-0.2 12,-0.2 -0.840 52.5 47.9-125.4 166.2 55.8 -15.1 9.7 186 186 A G > + 0 0 7 -38,-2.3 4,-2.4 -2,-0.3 -39,-0.2 0.635 57.5 145.2 85.1 19.0 58.7 -13.6 7.9 187 187 A E T 4 + 0 0 55 -41,-2.4 -40,-0.2 -39,-0.4 -39,-0.2 0.787 68.7 53.3 -64.3 -27.1 58.3 -10.1 9.3 188 188 A E T 4 S+ 0 0 95 -41,-2.3 -1,-0.2 1,-0.2 3,-0.1 0.934 115.2 37.8 -73.5 -44.9 62.1 -9.5 9.3 189 189 A S T 4 S+ 0 0 92 -42,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.789 86.3 176.0 -74.1 -28.0 62.7 -10.4 5.7 190 190 A G >X + 0 0 17 -4,-2.4 4,-1.8 -43,-0.3 3,-0.5 -0.440 23.7 127.6 59.4-113.5 59.4 -8.8 4.7 191 191 A G H 3> S- 0 0 62 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 -0.262 88.3 -54.4 62.0-150.2 59.3 -9.0 0.9 192 192 A R H 3> S+ 0 0 204 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.494 131.6 70.0-104.6 -6.0 56.2 -10.5 -0.6 193 193 A S H <> S+ 0 0 91 -3,-0.5 4,-1.7 2,-0.2 -8,-0.2 0.841 103.4 44.9 -74.1 -35.3 56.4 -13.7 1.4 194 194 A F H X S+ 0 0 18 -4,-1.8 4,-2.9 -8,-0.2 5,-0.2 0.856 109.3 55.6 -74.8 -36.9 55.4 -11.7 4.4 195 195 A E H X S+ 0 0 131 -4,-0.6 4,-2.6 -5,-0.2 -2,-0.2 0.933 109.9 46.3 -58.6 -45.8 52.7 -9.9 2.5 196 196 A D H X S+ 0 0 88 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.902 111.8 51.2 -61.8 -43.2 51.2 -13.3 1.6 197 197 A S H X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.926 112.4 45.6 -64.1 -43.9 51.5 -14.4 5.2 198 198 A C H X S+ 0 0 7 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.895 111.7 53.1 -63.7 -40.0 49.8 -11.3 6.5 199 199 A D H X S+ 0 0 81 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.939 109.8 47.3 -60.2 -46.7 47.1 -11.7 3.8 200 200 A E H X S+ 0 0 130 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.909 110.8 52.6 -62.3 -39.8 46.4 -15.2 4.8 201 201 A A H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.937 110.0 48.1 -61.5 -47.4 46.2 -14.1 8.5 202 202 A E H X S+ 0 0 51 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.916 111.4 48.9 -58.4 -47.5 43.7 -11.4 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