==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-11 3RP8 . COMPND 2 MOLECULE: FLAVOPROTEIN MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.A.HICKS,S.E.O'LEARY,T.P.BEGLEY,S.E.EALICK . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 2 1 2 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 2 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 2 2 1 0 1 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 . 1 1 0 0 1 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 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 0 A H 0 0 220 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -81.5 -4.7 6.4 19.8 2 1 A M - 0 0 16 22,-0.4 24,-1.9 143,-0.0 2,-0.5 -0.893 360.0-154.1-102.6 130.4 -4.1 7.2 16.1 3 2 A K E -a 26 0A 33 -2,-0.5 143,-2.5 22,-0.2 144,-1.7 -0.898 8.0-169.0-109.2 123.5 -0.6 8.6 15.3 4 3 A A E -ab 27 147A 1 22,-3.1 24,-2.2 -2,-0.5 2,-0.6 -0.921 11.6-149.2-106.8 135.0 -0.1 10.8 12.2 5 4 A I E -ab 28 148A 3 142,-3.2 144,-3.1 -2,-0.5 2,-0.5 -0.917 13.6-164.2 -98.7 124.6 3.4 11.7 11.1 6 5 A V E -ab 29 149A 0 22,-2.6 24,-3.1 -2,-0.6 2,-0.6 -0.946 3.5-157.9-111.3 121.4 3.5 15.1 9.4 7 6 A I E +ab 30 150A 7 142,-2.8 144,-2.0 -2,-0.5 24,-0.2 -0.888 62.5 34.9-102.0 117.1 6.6 16.0 7.4 8 7 A G - 0 0 6 22,-3.8 23,-0.2 -2,-0.6 22,-0.1 0.174 57.6-144.9 112.9 129.5 7.2 19.7 6.9 9 8 A A + 0 0 6 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.125 64.4 110.2-114.3 33.2 6.5 22.6 9.3 10 9 A G S > S- 0 0 25 141,-0.4 4,-2.4 98,-0.0 5,-0.4 -0.181 95.9 -69.4 -87.0-168.9 5.5 25.1 6.7 11 10 A I H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.887 135.4 48.4 -48.6 -42.0 2.0 26.5 6.2 12 11 A G H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.966 112.8 42.1 -67.9 -55.7 0.9 23.1 5.0 13 12 A G H > S+ 0 0 0 138,-0.4 4,-2.3 2,-0.2 5,-0.2 0.910 117.6 46.8 -59.8 -46.4 2.3 20.8 7.6 14 13 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.914 113.4 48.6 -65.9 -42.8 1.3 23.1 10.5 15 14 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.4 -2,-0.2 0.902 112.4 49.1 -60.5 -41.4 -2.2 23.5 9.2 16 15 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.908 111.0 49.6 -64.8 -41.1 -2.5 19.7 8.7 17 16 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.895 111.6 48.9 -65.9 -41.8 -1.3 19.0 12.2 18 17 A V H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 114.2 46.2 -60.9 -41.8 -3.8 21.5 13.6 19 18 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.855 111.0 50.4 -72.1 -38.1 -6.6 20.0 11.5 20 19 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-0.4 0.897 110.4 50.7 -67.2 -37.8 -5.8 16.4 12.4 21 20 A K H ><5S+ 0 0 135 -4,-1.9 3,-2.8 1,-0.3 -2,-0.2 0.926 102.8 58.8 -68.0 -44.3 -5.7 17.3 16.1 22 21 A Q H 3<5S+ 0 0 102 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.806 106.9 50.9 -47.4 -31.8 -9.1 19.0 15.8 23 22 A S T 3<5S- 0 0 19 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.247 127.9-100.1 -96.8 13.3 -10.3 15.5 14.7 24 23 A G T < 5S+ 0 0 50 -3,-2.8 2,-0.5 1,-0.3 -22,-0.4 0.700 78.6 135.0 83.9 20.4 -8.7 13.8 17.6 25 24 A I < - 0 0 0 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.3 -0.882 52.6-130.6-107.2 130.2 -5.6 12.5 15.9 26 25 A D E -a 3 0A 95 -24,-1.9 -22,-3.1 -2,-0.5 2,-0.4 -0.671 27.3-162.7 -79.9 129.2 -2.1 12.8 17.5 27 26 A C E -a 4 0A 10 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.943 18.0-163.8-119.8 130.1 0.5 14.4 15.3 28 27 A D E -a 5 0A 83 -24,-2.2 -22,-2.6 -2,-0.4 2,-0.5 -0.956 20.9-152.2-103.0 122.6 4.3 14.4 15.4 29 28 A V E -ac 6 117A 1 87,-1.3 89,-3.1 -2,-0.6 2,-0.4 -0.804 9.8-167.2-101.4 129.8 5.6 17.1 13.1 30 29 A Y E -ac 7 118A 15 -24,-3.1 -22,-3.8 -2,-0.5 2,-0.4 -0.927 2.8-171.6-117.9 140.3 9.1 16.8 11.6 31 30 A E E - c 0 119A 33 87,-2.8 90,-2.7 -2,-0.4 89,-0.5 -0.997 19.8-147.4-136.1 130.2 11.0 19.5 9.8 32 31 A A S S+ 0 0 27 -2,-0.4 90,-0.2 88,-0.3 -1,-0.1 0.887 76.7 78.2 -62.4 -43.3 14.3 19.2 7.8 33 32 A V S S- 0 0 58 88,-0.1 87,-2.2 87,-0.1 88,-0.3 -0.258 74.5-138.2 -73.3 157.2 15.8 22.6 8.6 34 33 A K S S- 0 0 182 1,-0.3 2,-0.3 85,-0.2 -1,-0.1 0.690 82.6 -5.2 -91.4 -18.4 17.4 23.2 12.0 35 34 A E 0 0 77 84,-0.0 -1,-0.3 85,-0.0 85,-0.0 -0.944 360.0 360.0-165.6 154.3 15.9 26.6 12.5 36 35 A I 0 0 138 -2,-0.3 69,-0.0 -3,-0.1 70,-0.0 0.583 360.0 360.0 38.9 360.0 13.8 29.2 10.6 37 ! 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 38 40 A A 0 0 31 0, 0.0 63,-1.6 0, 0.0 64,-0.4 0.000 360.0 360.0 360.0 -70.8 8.6 38.2 2.4 39 41 A A E -F 100 0B 3 61,-0.3 2,-0.3 62,-0.1 61,-0.2 -0.995 360.0-150.4-163.0 161.8 4.8 38.0 2.4 40 42 A I E -F 99 0B 32 59,-2.3 59,-2.9 -2,-0.3 2,-0.8 -0.981 23.4-125.6-136.5 152.9 1.7 36.3 1.0 41 43 A S E -F 98 0B 16 -2,-0.3 2,-1.0 57,-0.3 256,-0.2 -0.881 20.9-153.6 -97.3 111.2 -1.8 37.6 0.5 42 44 A V E -F 97 0B 1 55,-1.8 55,-3.0 -2,-0.8 252,-0.1 -0.750 16.1-151.2 -87.8 103.2 -4.3 35.3 2.2 43 45 A W >> - 0 0 13 -2,-1.0 4,-2.4 250,-0.5 3,-0.6 -0.156 34.2 -88.6 -71.4 167.5 -7.5 35.7 0.3 44 46 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.768 126.8 56.1 -53.0 -34.2 -10.9 35.1 2.0 45 47 A N H 3> S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.932 112.1 44.0 -61.2 -46.0 -11.0 31.4 1.2 46 48 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.927 113.2 51.6 -58.9 -45.1 -7.6 31.0 3.0 47 49 A V H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.935 108.5 50.2 -62.2 -45.6 -8.8 33.3 5.8 48 50 A K H X S+ 0 0 40 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.837 110.1 51.9 -62.2 -32.6 -12.0 31.3 6.4 49 51 A C H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.939 108.2 49.3 -69.3 -48.0 -9.9 28.1 6.5 50 52 A M H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.4 0.914 112.3 50.1 -54.2 -43.0 -7.5 29.5 9.2 51 53 A A H ><5S+ 0 0 56 -4,-2.4 3,-1.3 4,-0.3 5,-0.4 0.909 108.9 50.5 -63.9 -43.3 -10.6 30.6 11.1 52 54 A H H 3<5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.7 54.1 -59.9 -33.2 -12.1 27.1 10.8 53 55 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.457 122.0-105.8 -83.4 -1.9 -8.7 25.7 12.1 54 56 A G T < 5S+ 0 0 35 -3,-1.3 3,-0.3 -4,-0.3 -3,-0.2 0.506 98.5 103.8 88.7 5.2 -8.8 27.9 15.2 55 57 A M >>< + 0 0 4 -5,-2.8 4,-1.0 -6,-0.2 3,-0.9 0.041 35.0 119.7-106.0 26.0 -6.2 30.3 13.9 56 58 A G H 3> + 0 0 25 -6,-0.4 4,-2.1 -5,-0.4 5,-0.2 0.854 68.3 61.7 -58.6 -36.2 -8.6 33.1 12.9 57 59 A D H 3> S+ 0 0 128 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 0.813 96.3 59.4 -61.7 -33.4 -6.8 35.5 15.3 58 60 A I H <> S+ 0 0 13 -3,-0.9 4,-2.4 2,-0.2 5,-0.3 0.945 108.9 43.4 -61.0 -47.9 -3.6 35.3 13.4 59 61 A M H X S+ 0 0 1 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.945 115.6 46.7 -60.9 -52.7 -5.2 36.5 10.2 60 62 A E H < S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 118.0 42.4 -61.7 -39.8 -7.2 39.3 11.8 61 63 A T H < S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 126.8 28.1 -76.1 -38.9 -4.2 40.6 13.9 62 64 A F H < S+ 0 0 33 -4,-2.4 147,-0.7 -5,-0.3 2,-0.4 0.526 89.7 109.7-106.0 -9.1 -1.4 40.4 11.3 63 65 A G S < S- 0 0 8 -4,-2.5 36,-0.2 -5,-0.3 145,-0.1 -0.572 72.1-120.5 -70.0 122.4 -3.4 40.8 8.0 64 66 A G - 0 0 0 34,-2.9 2,-2.1 -2,-0.4 145,-0.2 -0.151 31.5 -94.9 -60.6 158.5 -2.6 44.2 6.5 65 67 A P + 0 0 54 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.470 54.4 171.5 -78.8 73.3 -5.4 46.8 6.0 66 68 A L + 0 0 3 -2,-2.1 126,-0.2 30,-0.5 3,-0.1 -0.758 11.7 149.8 -85.2 115.8 -6.1 45.9 2.3 67 69 A R + 0 0 142 124,-2.8 18,-2.8 -2,-0.7 19,-0.4 0.610 60.2 5.1-123.1 -19.4 -9.3 47.8 1.3 68 70 A R E -Gh 84 192C 84 123,-1.2 125,-2.4 16,-0.3 -1,-0.3 -0.945 60.4-141.2-156.2 173.1 -9.0 48.6 -2.4 69 71 A M E -Gh 83 193C 1 14,-2.6 14,-2.4 -2,-0.3 2,-0.3 -0.963 11.5-175.2-145.2 162.1 -6.8 47.9 -5.5 70 72 A A E -Gh 82 194C 0 123,-2.7 125,-2.0 -2,-0.3 2,-0.4 -0.992 17.9-145.1-152.9 150.6 -5.5 49.7 -8.6 71 73 A Y E -Gh 81 195C 27 10,-2.3 9,-3.2 -2,-0.3 10,-1.4 -0.979 24.9-161.0-115.7 139.2 -3.4 49.1 -11.7 72 74 A R E -Gh 79 196C 37 123,-2.8 125,-2.4 -2,-0.4 7,-0.2 -0.906 25.6-103.0-123.1 149.0 -1.2 51.9 -12.9 73 75 A D E > - h 0 197C 31 5,-2.9 4,-1.8 -2,-0.3 171,-0.2 -0.458 28.7-137.5 -65.8 135.6 0.4 52.7 -16.2 74 76 A F T 4 S+ 0 0 24 123,-1.5 170,-3.3 2,-0.2 173,-0.2 0.875 97.8 35.8 -65.3 -37.0 4.1 51.8 -16.1 75 77 A R T 4 S+ 0 0 167 168,-0.2 -1,-0.2 122,-0.2 123,-0.1 0.915 130.2 28.1 -86.0 -44.7 5.4 54.9 -17.9 76 78 A S T 4 S- 0 0 79 2,-0.1 -2,-0.2 168,-0.1 -1,-0.1 0.691 88.7-137.6 -93.4 -21.7 3.0 57.5 -16.6 77 79 A G < + 0 0 16 -4,-1.8 2,-0.2 1,-0.3 -3,-0.1 0.593 54.6 142.7 73.0 9.1 2.1 56.1 -13.2 78 80 A E - 0 0 53 1,-0.1 -5,-2.9 -6,-0.1 -1,-0.3 -0.551 59.6 -95.8 -84.4 148.2 -1.5 57.1 -13.8 79 81 A N E +G 72 0C 73 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.2 -0.379 33.1 179.6 -58.4 130.2 -4.4 54.9 -12.7 80 82 A M E S- 0 0 25 -9,-3.2 2,-0.3 1,-0.5 -8,-0.2 0.749 80.8 -5.8 -93.4 -40.6 -5.8 52.6 -15.3 81 83 A T E +G 71 0C 7 -10,-1.4 -10,-2.3 281,-0.1 -1,-0.5 -0.985 65.7 176.2-152.7 142.0 -8.3 51.2 -12.9 82 84 A Q E +G 70 0C 83 -2,-0.3 2,-0.3 281,-0.3 -12,-0.2 -0.969 16.9 148.6-148.8 135.1 -8.9 51.8 -9.2 83 85 A F E -G 69 0C 23 -14,-2.4 -14,-2.6 -2,-0.3 2,-0.2 -0.993 42.2 -92.0-164.0 162.4 -11.7 50.4 -7.0 84 86 A S E -G 68 0C 60 -2,-0.3 -16,-0.3 -16,-0.2 4,-0.1 -0.492 13.4-152.5 -82.8 150.9 -12.8 49.2 -3.6 85 87 A L > + 0 0 0 -18,-2.8 4,-1.9 -2,-0.2 3,-0.5 0.187 69.7 108.2-102.9 13.6 -12.7 45.6 -2.5 86 88 A A H > S+ 0 0 54 -19,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.910 76.9 52.0 -55.5 -43.4 -15.5 46.2 -0.1 87 89 A P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.807 105.4 55.9 -63.8 -29.0 -17.9 44.1 -2.3 88 90 A L H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 6,-0.3 0.941 109.6 45.8 -65.9 -46.1 -15.4 41.3 -2.3 89 91 A I H X S+ 0 0 54 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.848 112.7 50.6 -65.3 -36.2 -15.5 41.2 1.5 90 92 A E H < S+ 0 0 159 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.912 113.7 43.7 -69.5 -42.9 -19.3 41.4 1.5 91 93 A R H < S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.820 122.2 35.8 -73.0 -32.1 -19.7 38.5 -0.9 92 94 A T H < S- 0 0 3 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.576 98.2-129.4-103.5 -13.1 -17.2 36.2 0.6 93 95 A G S < S+ 0 0 63 -4,-1.5 2,-0.3 -5,-0.2 -4,-0.1 0.335 79.0 70.1 87.0 -8.7 -17.6 37.0 4.3 94 96 A S S S- 0 0 24 -6,-0.3 -2,-0.2 -5,-0.0 -1,-0.1 -0.962 76.2-120.7-138.3 155.3 -13.9 37.6 5.1 95 97 A R - 0 0 54 -2,-0.3 2,-0.3 -52,-0.1 -48,-0.1 -0.616 35.8-101.2 -91.1 156.2 -11.4 40.2 4.2 96 98 A P - 0 0 0 0, 0.0 -30,-0.5 0, 0.0 -53,-0.2 -0.606 35.4-156.3 -74.8 137.8 -8.1 39.5 2.4 97 99 A C E -F 42 0B 1 -55,-3.0 -55,-1.8 -2,-0.3 2,-0.2 -0.820 6.9-165.0-123.6 90.6 -5.2 39.4 4.8 98 100 A P E +F 41 0B 0 0, 0.0 -34,-2.9 0, 0.0 2,-0.3 -0.581 21.7 179.3 -68.1 136.1 -1.7 40.0 3.4 99 101 A V E -F 40 0B 0 -59,-2.9 -59,-2.3 -2,-0.2 -36,-0.1 -0.998 33.0-108.3-145.4 139.7 0.8 38.8 6.0 100 102 A S E > -F 39 0B 2 -2,-0.3 4,-2.4 -38,-0.3 -61,-0.3 -0.460 28.4-129.2 -67.7 142.2 4.6 38.7 6.2 101 103 A R H > S+ 0 0 129 -63,-1.6 4,-3.0 1,-0.2 5,-0.2 0.887 106.1 56.0 -57.1 -42.0 5.9 35.2 5.9 102 104 A A H > S+ 0 0 72 -64,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.938 110.8 41.7 -59.3 -51.9 8.0 35.6 9.0 103 105 A E H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.920 115.0 51.0 -63.0 -44.5 5.1 36.6 11.3 104 106 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.941 113.5 44.9 -60.3 -47.4 2.8 34.0 9.8 105 107 A Q H X S+ 0 0 75 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.947 114.2 49.3 -59.5 -50.0 5.3 31.2 10.3 106 108 A R H X S+ 0 0 104 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.901 113.9 45.5 -56.7 -45.4 6.1 32.4 13.8 107 109 A E H X S+ 0 0 40 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.878 112.8 48.8 -70.3 -39.1 2.5 32.5 14.8 108 110 A M H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.900 112.4 48.9 -67.4 -38.6 1.5 29.2 13.3 109 111 A L H X S+ 0 0 19 -4,-2.4 4,-3.5 -5,-0.2 -2,-0.2 0.906 111.9 49.4 -66.8 -42.2 4.5 27.5 15.0 110 112 A D H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 110.2 51.8 -61.4 -39.2 3.5 29.2 18.3 111 113 A Y H < S+ 0 0 116 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 118.4 35.5 -66.9 -46.5 -0.1 28.0 17.9 112 114 A W 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-72.9 -33.0 -7.6 9.7 2.1 321 323 A R H X S+ 0 0 146 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.874 110.9 45.7 -62.8 -34.1 -9.4 8.6 -1.0 322 324 A E H X S+ 0 0 92 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.889 110.2 52.8 -77.7 -39.2 -12.1 11.1 -0.1 323 325 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.956 112.3 46.6 -52.5 -52.9 -9.5 13.8 0.6 324 326 A E H X S+ 0 0 44 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.901 110.6 52.4 -57.4 -44.6 -8.1 13.2 -2.8 325 327 A A H < S+ 0 0 67 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.897 114.1 42.8 -60.5 -41.7 -11.5 13.2 -4.4 326 328 A Q H < S+ 0 0 91 -4,-2.5 4,-0.3 1,-0.1 -1,-0.2 0.843 123.8 34.1 -73.0 -34.5 -12.3 16.6 -2.9 327 329 A R H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.778 96.8 76.5 -94.2 -31.5 -9.0 18.3 -3.5 328 330 A C H X S+ 0 0 11 -4,-2.7 4,-2.1 -5,-0.3 5,-0.1 0.901 101.0 37.9 -59.6 -50.6 -7.6 16.9 -6.8 329 331 A D H > S+ 0 0 121 -4,-0.4 4,-2.3 -5,-0.2 -1,-0.2 0.832 115.0 56.7 -67.7 -32.6 -9.7 18.9 -9.3 330 332 A R H > S+ 0 0 21 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.977 111.6 40.1 -62.4 -53.4 -9.6 22.0 -7.2 331 333 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.856 112.0 57.4 -72.4 -30.0 -5.8 22.2 -7.1 332 334 A R H X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.973 109.6 45.3 -56.2 -52.9 -5.5 21.2 -10.7 333 335 A D H X S+ 0 0 74 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.906 111.8 51.9 -59.3 -43.4 -7.7 24.2 -11.7 334 336 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.938 111.0 47.0 -60.3 -48.2 -5.8 26.6 -9.4 335 337 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -46,-0.4 0.927 117.2 43.5 -57.3 -47.1 -2.4 25.6 -10.9 336 338 A L H X S+ 0 0 67 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.841 112.7 51.4 -70.0 -35.7 -3.7 25.9 -14.4 337 339 A K H X S+ 0 0 67 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.906 110.8 49.0 -68.0 -41.4 -5.6 29.2 -13.7 338 340 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.930 110.0 52.2 -59.8 -45.7 -2.4 30.6 -12.2 339 341 A R H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 109.1 48.9 -58.8 -45.6 -0.4 29.5 -15.3 340 342 A K H X S+ 0 0 141 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.944 112.9 47.6 -58.8 -48.6 -2.9 31.2 -17.6 341 343 A R H X S+ 0 0 94 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.910 110.3 53.2 -58.6 -45.0 -2.7 34.4 -15.6 342 344 A C H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.910 108.7 48.9 -56.7 -44.5 1.1 34.2 -15.6 343 345 A D H <>S+ 0 0 35 -4,-2.3 5,-2.4 1,-0.2 6,-0.6 0.873 114.7 44.9 -68.1 -35.3 1.3 33.9 -19.4 344 346 A I H ><5S+ 0 0 30 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.918 115.8 45.9 -70.3 -46.5 -1.1 36.9 -19.9 345 347 A T H 3<5S+ 0 0 5 -4,-2.9 -147,-0.2 1,-0.2 -2,-0.2 0.853 116.2 43.5 -66.4 -36.2 0.6 39.1 -17.4 346 348 A H T 3<5S- 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.181 114.2-104.2-107.9 17.3 4.2 38.4 -18.5 347 349 A G T X 5 + 0 0 18 -3,-0.7 3,-0.6 -4,-0.2 -3,-0.2 0.793 58.5 155.5 77.4 35.2 3.8 38.6 -22.2 348 350 A K T 3 > S- 0 0 77 -6,-0.6 4,-2.1 1,-0.1 3,-0.6 -0.918 84.2-156.2-129.6 99.8 2.0 36.4 -26.4 350 352 A M H <> S+ 0 0 67 -3,-0.6 4,-2.5 -2,-0.4 5,-0.1 0.749 90.3 60.3 -57.5 -22.2 2.4 40.2 -26.1 351 353 A Q H 3> S+ 0 0 134 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.952 105.9 44.6 -69.9 -49.4 -0.8 40.8 -28.1 352 354 A L H <> S+ 0 0 104 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.915 114.9 51.4 -54.2 -43.2 -2.9 39.0 -25.5 353 355 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 110.4 47.2 -63.8 -40.3 -1.0 40.9 -22.9 354 356 A E H X S+ 0 0 74 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.886 109.4 54.3 -65.1 -39.8 -1.7 44.2 -24.7 355 357 A A H X S+ 0 0 47 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.927 107.7 51.4 -60.7 -41.6 -5.3 43.1 -24.9 356 358 A W H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.907 106.0 52.3 -61.6 -45.1 -5.2 42.7 -21.2 357 359 A Y H X S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.921 108.7 52.8 -58.0 -41.6 -3.8 46.1 -20.6 358 360 A Q H >X S+ 0 0 81 -4,-2.2 4,-1.4 1,-0.2 3,-0.5 0.933 107.0 51.1 -57.6 -47.5 -6.7 47.4 -22.7 359 361 A E H 3< S+ 0 0 79 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.872 106.3 56.2 -58.4 -36.7 -9.2 45.6 -20.5 360 362 A L H 3< S+ 0 0 3 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.825 102.6 54.3 -66.7 -31.9 -7.6 47.2 -17.5 361 363 A R H << S+ 0 0 117 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.855 114.7 40.6 -68.3 -33.6 -8.2 50.7 -18.9 362 364 A E S < S+ 0 0 138 -4,-1.4 2,-0.2 -3,-0.1 -1,-0.2 0.425 92.1 122.2 -91.6 -0.4 -11.9 49.9 -19.3 363 365 A E + 0 0 24 -4,-0.5 -281,-0.3 -3,-0.4 -3,-0.1 -0.442 35.0 178.0 -74.9 130.8 -12.1 48.0 -15.9 364 366 A T - 0 0 101 -2,-0.2 -1,-0.1 -283,-0.1 -4,-0.1 0.571 55.2-106.5 -98.4 -15.3 -14.6 49.1 -13.3 365 367 A G S > S+ 0 0 3 -282,-0.1 4,-3.2 -284,-0.0 5,-0.3 -0.027 99.1 101.1 110.2 -29.1 -13.7 46.4 -10.8 366 368 A E H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 86.7 43.3 -52.8 -47.7 -16.9 44.4 -11.3 367 369 A R H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 115.7 46.9 -65.9 -47.4 -15.1 41.9 -13.6 368 370 A I H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 113.9 47.9 -62.6 -44.7 -12.0 41.6 -11.4 369 371 A I H X S+ 0 0 16 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.907 110.6 51.8 -65.9 -40.4 -14.1 41.1 -8.3 370 372 A N H X S+ 0 0 35 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.915 110.1 48.9 -59.4 -45.0 -16.3 38.5 -9.9 371 373 A G H X S+ 0 0 34 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.913 110.8 50.6 -60.8 -43.2 -13.3 36.5 -11.1 372 374 A M H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.895 109.8 50.9 -60.7 -41.4 -11.8 36.7 -7.5 373 375 A C H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.860 105.1 55.6 -64.4 -38.6 -15.1 35.5 -6.1 374 376 A D H X S+ 0 0 91 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.908 111.2 44.7 -60.7 -43.8 -15.3 32.5 -8.5 375 377 A T H < S+ 0 0 13 -4,-1.7 3,-0.2 2,-0.2 -2,-0.2 0.916 118.8 43.1 -64.4 -44.6 -11.8 31.4 -7.3 376 378 A I H >< S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.933 111.7 50.3 -70.4 -46.9 -12.7 31.9 -3.6 377 379 A L H 3< S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.658 99.5 67.7 -71.0 -15.4 -16.2 30.5 -3.6 378 380 A S T 3< S+ 0 0 79 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.426 82.0 103.8 -81.2 -1.4 -14.9 27.3 -5.3 379 381 A G S X S- 0 0 9 -3,-1.8 3,-1.6 3,-0.1 -81,-0.0 -0.311 91.9 -97.9 -75.6 167.7 -13.0 26.5 -2.1 380 382 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.780 123.3 44.5 -61.7 -31.1 -14.1 23.8 0.4 381 383 A L T 3 0 0 66 1,-0.3 -4,-0.1 -336,-0.1 -3,-0.1 0.409 360.0 360.0 -96.2 2.1 -15.8 26.3 2.8 382 384 A G < 0 0 55 -3,-1.6 -1,-0.3 -6,-0.2 -4,-0.1 -0.185 360.0 360.0 58.4 360.0 -17.5 28.2 0.0