==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVIN-BINDING PROTEIN 07-JUL-95 1FVP . COMPND 2 MOLECULE: FLAVOPROTEIN 390; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTOBACTERIUM PHOSPHOREUM; . AUTHOR A.KITA,K.MIKI . 462 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 51 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 2 0 1 0 1 0 1 3 0 0 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 0 2 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 168 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.0 7.1 59.2 90.3 2 2 A N + 0 0 101 1,-0.1 2,-0.5 192,-0.0 228,-0.0 -0.052 360.0 95.8-159.7 -19.8 5.9 60.8 87.1 3 3 A K S S- 0 0 52 227,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.809 76.3-140.8 -83.8 125.2 8.8 58.8 85.6 4 4 A W - 0 0 50 -2,-0.5 2,-0.2 -3,-0.1 192,-0.1 -0.886 9.1-155.3 -99.5 116.3 7.5 55.5 84.2 5 5 A N - 0 0 40 -2,-0.6 192,-0.9 37,-0.0 2,-0.4 -0.541 14.3-147.3 -85.0 155.0 9.6 52.4 84.8 6 6 A Y E +ab 42 197A 32 35,-0.8 37,-2.5 -2,-0.2 2,-0.2 -0.993 19.5 172.9-131.0 137.5 9.0 49.6 82.2 7 7 A G E - b 0 198A 2 190,-2.9 192,-1.2 -2,-0.4 2,-0.3 -0.707 22.0-129.0-130.5 177.1 9.2 45.9 82.6 8 8 A V E -a 45 0A 0 36,-3.3 38,-1.3 190,-0.3 2,-0.3 -0.922 19.5-169.5-130.5 154.8 8.4 42.8 80.4 9 9 A F E -a 46 0A 0 -2,-0.3 2,-0.3 36,-0.3 192,-0.3 -0.950 7.9-159.6-144.1 162.0 6.3 39.7 81.2 10 10 A F E -a 47 0A 11 36,-1.1 38,-0.9 -2,-0.3 2,-0.1 -0.979 20.4-127.7-138.3 142.9 5.6 36.3 79.6 11 11 A V E -a 48 0A 16 -2,-0.3 2,-0.5 36,-0.2 38,-0.2 -0.280 24.6-130.1 -81.5-178.8 2.7 34.0 80.2 12 12 A N + 0 0 19 36,-0.6 2,-0.3 35,-0.1 35,-0.0 -0.881 53.4 126.0-137.0 97.0 3.7 30.4 81.0 13 13 A F - 0 0 30 -2,-0.5 2,-0.5 281,-0.0 3,-0.4 -0.988 59.4 -98.5-153.3 160.6 1.9 28.0 78.8 14 14 A Y S S- 0 0 74 -2,-0.3 -2,-0.0 1,-0.2 6,-0.0 -0.720 94.9 -13.9 -92.4 127.9 2.2 25.1 76.3 15 15 A N S S- 0 0 57 -2,-0.5 -1,-0.2 6,-0.1 5,-0.1 0.954 76.8-158.5 43.1 81.1 2.1 25.9 72.7 16 16 A K - 0 0 1 -3,-0.4 132,-0.2 4,-0.1 133,-0.1 -0.377 62.5 -18.0 -73.3 159.9 0.7 29.5 72.7 17 17 A G S S- 0 0 4 130,-0.6 131,-0.1 131,-0.3 186,-0.0 -0.100 123.4 -47.3 40.2-124.0 -0.9 30.6 69.5 18 18 A Q S S+ 0 0 119 2,-0.1 -1,-0.2 6,-0.0 6,-0.1 0.801 97.0 127.0-104.5 -40.6 0.4 28.2 66.9 19 19 A Q - 0 0 12 1,-0.1 5,-0.0 4,-0.1 186,-0.0 0.245 67.4-109.1 -21.9 127.3 4.1 28.1 67.6 20 20 A E >> - 0 0 131 1,-0.1 3,-2.2 -5,-0.1 4,-1.3 -0.511 37.7-100.4 -69.5 133.3 5.5 24.6 68.2 21 21 A P T 34 S+ 0 0 86 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.521 123.8 45.0 -26.0 -33.7 6.4 23.9 71.8 22 22 A S T 3> S+ 0 0 78 2,-0.1 4,-1.3 1,-0.1 3,-0.2 0.851 112.0 53.1 -82.4 -41.4 10.2 24.5 71.2 23 23 A K H <> S+ 0 0 102 -3,-2.2 4,-2.3 2,-0.2 5,-0.3 0.859 97.0 62.3 -62.1 -47.9 9.6 27.6 69.2 24 24 A T H X S+ 0 0 20 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.871 110.7 44.2 -48.7 -39.2 7.4 29.5 71.7 25 25 A M H > S+ 0 0 33 -4,-0.4 4,-1.6 -5,-0.3 -1,-0.2 0.833 106.0 54.9 -79.1 -35.6 10.4 29.4 73.9 26 26 A N H X S+ 0 0 91 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.884 110.8 50.2 -64.7 -35.0 13.2 30.3 71.5 27 27 A N H X S+ 0 0 13 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.892 110.3 48.9 -62.6 -46.7 11.1 33.4 70.8 28 28 A A H X S+ 0 0 16 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.729 107.6 54.7 -67.8 -25.9 10.8 34.1 74.5 29 29 A L H X S+ 0 0 35 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.694 109.5 48.2 -79.0 -22.7 14.6 33.6 74.9 30 30 A E H X S+ 0 0 46 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.833 104.1 58.2 -81.1 -36.7 15.0 36.3 72.2 31 31 A T H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.760 111.4 44.3 -62.4 -31.1 12.6 38.6 74.0 32 32 A L H X S+ 0 0 21 -4,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.739 105.0 62.1 -84.2 -32.2 15.0 38.2 76.9 33 33 A R H X>S+ 0 0 67 -4,-1.0 4,-2.6 2,-0.2 5,-0.7 0.946 104.3 47.2 -59.7 -51.0 18.1 38.7 74.7 34 34 A I H X>S+ 0 0 0 -4,-2.1 4,-1.6 3,-0.2 5,-0.7 0.950 108.0 57.8 -52.2 -53.8 17.0 42.2 73.8 35 35 A I H X5S+ 0 0 6 -4,-1.0 4,-0.5 3,-0.2 -2,-0.2 0.924 115.3 35.6 -40.2 -65.1 16.3 42.9 77.4 36 36 A D H <5S+ 0 0 99 -4,-2.5 3,-0.2 1,-0.1 -2,-0.2 0.964 139.5 7.1 -58.3 -67.6 19.9 42.1 78.3 37 37 A E H <5S+ 0 0 145 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.690 126.9 48.5 -96.0 -21.7 21.9 43.4 75.3 38 38 A D H < + 0 0 33 -38,-0.2 3,-1.0 3,-0.1 -1,-0.2 0.093 22.8 129.7-161.4 15.1 0.5 31.9 85.3 50 50 A H T 3 + 0 0 28 1,-0.3 4,-0.2 3,-0.0 -2,-0.1 0.522 44.6 90.5 -54.3 -19.3 -2.3 33.1 87.4 51 51 A Y T 3 S+ 0 0 44 2,-0.1 -1,-0.3 105,-0.0 2,-0.2 0.473 73.3 103.1 -61.6 -3.0 -4.9 30.8 85.7 52 52 A L S < S- 0 0 21 -3,-1.0 2,-1.0 104,-0.0 -3,-0.1 -0.589 79.7-118.4 -89.2 146.2 -4.0 28.3 88.3 53 53 A V - 0 0 100 -2,-0.2 2,-0.9 1,-0.1 -2,-0.1 -0.746 29.4-170.9 -88.3 102.7 -5.8 27.3 91.5 54 54 A K + 0 0 43 -2,-1.0 8,-3.1 -4,-0.2 2,-0.4 -0.748 28.1 137.8 -99.5 84.7 -3.5 28.2 94.4 55 55 A K B -G 61 0B 94 -2,-0.9 6,-0.2 6,-0.3 4,-0.2 -0.996 41.9-134.7-137.5 130.9 -5.1 26.6 97.5 56 56 A D > - 0 0 25 4,-1.6 3,-1.5 -2,-0.4 4,-0.2 0.343 53.0 -66.2 -61.4-166.0 -3.4 24.8 100.4 57 57 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.554 133.6 54.7 -68.6 -6.5 -4.5 21.6 102.1 58 58 A E T 3 S- 0 0 102 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.003 117.8-103.8-116.3 26.2 -7.6 23.4 103.3 59 59 A D S < S+ 0 0 141 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.967 72.6 149.2 45.5 62.1 -9.0 24.7 100.1 60 60 A K - 0 0 88 -4,-0.2 -4,-1.6 186,-0.0 -1,-0.2 -0.976 48.2-125.9-130.3 114.6 -7.7 28.2 101.0 61 61 A K B -G 55 0B 140 -2,-0.4 -6,-0.3 -6,-0.2 2,-0.0 -0.441 26.8-128.7 -63.9 129.6 -6.7 30.6 98.2 62 62 A L - 0 0 14 -8,-3.1 -8,-0.1 -2,-0.2 -1,-0.1 -0.281 29.7 -93.9 -74.4 161.5 -3.1 31.9 98.7 63 63 A A - 0 0 23 1,-0.1 2,-0.6 -2,-0.0 -1,-0.1 -0.766 36.7-128.4 -84.6 101.2 -2.3 35.6 98.5 64 64 A P + 0 0 26 0, 0.0 11,-1.1 0, 0.0 2,-0.5 -0.346 37.0 178.0 -52.7 95.9 -1.3 36.4 94.9 65 65 A F E -C 74 0A 48 -2,-0.6 2,-0.4 9,-0.2 9,-0.3 -0.928 13.2-162.0-107.7 133.9 2.0 38.2 95.6 66 66 A I E -C 73 0A 15 7,-2.9 7,-4.1 -2,-0.5 2,-0.5 -0.941 7.1-153.7-113.7 134.2 3.9 39.4 92.6 67 67 A T E +C 72 0A 28 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.968 14.7 178.5-113.1 127.9 7.6 40.2 93.2 68 68 A L E > -C 71 0A 10 3,-2.0 3,-0.9 -2,-0.5 -22,-0.1 -0.878 64.1 -52.8-132.8 100.1 9.4 42.7 91.0 69 69 A G T 3 S- 0 0 20 -2,-0.4 208,-0.7 1,-0.3 207,-0.2 -0.411 119.0 -23.1 67.4-150.5 13.1 43.2 92.0 70 70 A E T 3 S+ 0 0 83 205,-0.5 -1,-0.3 206,-0.2 206,-0.1 0.862 123.8 91.8 -57.1 -38.2 13.2 44.1 95.7 71 71 A K E < -C 68 0A 103 -3,-0.9 -3,-2.0 -4,-0.1 2,-0.4 -0.112 64.6-147.4 -59.6 151.2 9.6 45.4 95.6 72 72 A L E +C 67 0A 19 -5,-0.2 2,-0.3 2,-0.0 -5,-0.2 -0.972 18.2 176.3-127.8 137.1 6.5 43.2 96.4 73 73 A Y E -C 66 0A 6 -7,-4.1 -7,-2.9 -2,-0.4 2,-0.4 -0.801 20.4-136.2-131.4 171.7 3.0 43.5 94.8 74 74 A V E -Cd 65 92A 8 17,-2.0 19,-1.1 -9,-0.3 -9,-0.2 -0.994 25.9-115.3-141.8 129.6 -0.3 41.8 94.9 75 75 A L E - d 0 93A 3 -11,-1.1 2,-1.6 -2,-0.4 3,-0.2 -0.364 21.9-130.1 -60.2 130.4 -2.6 40.9 91.9 76 76 A A + 0 0 0 17,-1.3 19,-0.4 1,-0.2 6,-0.1 -0.605 52.0 150.8 -93.2 72.6 -5.9 42.8 92.0 77 77 A T - 0 0 58 -2,-1.6 2,-0.3 4,-0.2 -1,-0.2 0.585 61.7 -12.5 -75.6 -25.1 -7.7 39.6 91.4 78 78 A S S S- 0 0 43 -3,-0.2 0, 0.0 28,-0.1 0, 0.0 -0.852 74.4 -87.6-161.0-166.7 -10.9 40.6 93.2 79 79 A E S > S+ 0 0 96 -2,-0.3 4,-0.9 3,-0.1 5,-0.1 0.672 125.9 41.0 -90.7 -24.2 -12.6 43.1 95.5 80 80 A N H > S+ 0 0 115 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.874 113.2 50.9 -89.1 -44.7 -11.5 41.2 98.6 81 81 A T H 4 S+ 0 0 44 1,-0.2 -4,-0.2 2,-0.2 -1,-0.1 0.403 118.6 43.0 -71.0 -1.0 -8.0 40.4 97.4 82 82 A V H > S+ 0 0 0 -6,-0.1 4,-0.8 2,-0.1 -1,-0.2 0.653 108.4 54.3-113.3 -37.3 -7.7 44.1 96.6 83 83 A D H >X S+ 0 0 27 -4,-0.9 3,-2.5 1,-0.2 4,-1.3 0.990 108.3 51.6 -59.6 -59.9 -9.4 45.5 99.7 84 84 A I H 3X S+ 0 0 93 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.784 102.6 59.7 -45.0 -41.1 -6.9 43.6 101.9 85 85 A A H 34>S+ 0 0 2 1,-0.2 5,-1.3 -5,-0.2 -1,-0.3 0.769 99.1 57.7 -63.6 -28.1 -4.0 45.0 99.9 86 86 A A H X<5S+ 0 0 0 -3,-2.5 3,-1.7 -4,-0.8 -1,-0.2 0.906 96.0 65.8 -65.8 -44.8 -5.1 48.5 100.9 87 87 A K H 3<5S+ 0 0 96 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.905 113.3 29.0 -42.5 -59.8 -4.7 47.5 104.5 88 88 A Y T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 31,-0.1 -2,-0.2 0.318 110.7-118.3 -90.1 10.5 -0.9 47.0 104.2 89 89 A A T < 5 + 0 0 28 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.493 55.1 161.7 68.9 9.3 -0.6 49.7 101.4 90 90 A L < - 0 0 13 -5,-1.3 -1,-0.2 1,-0.1 -17,-0.1 -0.277 39.4-116.8 -62.6 141.8 0.8 47.2 98.8 91 91 A P - 0 0 26 0, 0.0 -17,-2.0 0, 0.0 2,-0.3 -0.434 29.4-125.4 -76.6 155.5 0.6 48.1 95.1 92 92 A L E -d 74 0A 0 -19,-0.2 35,-2.3 -2,-0.1 2,-0.6 -0.662 3.0-141.8-101.6 157.1 -1.5 46.1 92.7 93 93 A V E -de 75 127A 0 -19,-1.1 -17,-1.3 -2,-0.3 35,-0.2 -0.960 28.3-135.9-123.3 105.0 -0.6 44.3 89.5 94 94 A F E - e 0 128A 0 33,-3.1 35,-0.9 -2,-0.6 -17,-0.1 -0.424 22.2-111.1 -64.2 133.1 -3.6 44.8 87.1 95 95 A K - 0 0 45 -19,-0.4 3,-0.4 -2,-0.1 34,-0.2 -0.203 9.2-140.8 -69.4 157.7 -4.7 41.7 85.2 96 96 A W S S+ 0 0 0 1,-0.2 2,-0.2 32,-0.1 35,-0.2 0.895 99.9 52.9 -81.5 -46.6 -4.2 41.4 81.4 97 97 A D S S+ 0 0 33 2,-0.1 2,-0.6 33,-0.1 -1,-0.2 -0.193 82.8 113.4 -88.4 37.2 -7.6 39.6 80.8 98 98 A D S S- 0 0 17 -3,-0.4 -4,-0.0 -2,-0.2 0, 0.0 -0.949 76.3-120.4-112.3 113.8 -9.6 42.3 82.6 99 99 A I > - 0 0 56 -2,-0.6 4,-2.4 1,-0.2 5,-0.4 -0.354 33.5-118.1 -50.4 122.5 -11.8 44.4 80.3 100 100 A N H > S+ 0 0 23 67,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.746 112.9 60.3 -35.3 -32.5 -10.3 47.8 81.1 101 101 A E H >> S+ 0 0 153 2,-0.2 3,-2.4 1,-0.2 4,-1.1 0.998 109.4 35.9 -60.1 -74.0 -13.7 48.7 82.5 102 102 A E H 3> S+ 0 0 102 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.815 113.5 58.0 -52.0 -39.0 -13.9 46.1 85.2 103 103 A R H 3X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.3 0.699 104.6 54.7 -69.9 -12.9 -10.2 46.3 86.0 104 104 A L H << S+ 0 0 39 -3,-2.4 4,-0.5 -4,-0.5 3,-0.4 0.781 96.7 62.5 -86.1 -30.5 -10.9 50.1 86.6 105 105 A K H X S+ 0 0 133 -4,-1.1 4,-1.1 -3,-0.3 -2,-0.2 0.683 102.0 55.7 -63.3 -22.0 -13.6 49.2 89.1 106 106 A L H X S+ 0 0 12 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.807 99.0 52.7 -87.7 -30.4 -10.8 47.5 91.2 107 107 A L H < S+ 0 0 3 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.567 107.3 64.1 -76.7 -5.5 -8.3 50.4 91.5 108 108 A S H >> S+ 0 0 68 -4,-0.5 3,-2.3 2,-0.2 4,-2.0 0.946 99.6 43.5 -80.1 -49.7 -11.5 52.0 92.8 109 109 A F H 3X S+ 0 0 74 -4,-1.1 4,-4.4 1,-0.3 3,-0.5 0.950 109.5 63.2 -58.4 -42.5 -12.0 49.8 95.8 110 110 A Y H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.487 106.8 41.1 -60.9 1.1 -8.3 50.4 96.3 111 111 A N H <> S+ 0 0 67 -3,-2.3 4,-1.3 3,-0.1 -1,-0.3 0.719 118.1 47.4-111.3 -28.9 -8.9 54.1 96.7 112 112 A A H X S+ 0 0 62 -4,-2.0 4,-1.9 -3,-0.5 -2,-0.2 0.798 115.5 43.6 -76.4 -40.3 -11.9 53.4 98.8 113 113 A S H X S+ 0 0 4 -4,-4.4 4,-1.7 2,-0.2 5,-0.3 0.963 109.0 56.3 -72.7 -54.5 -10.2 50.8 101.0 114 114 A A H 4>S+ 0 0 4 -5,-0.3 5,-2.7 1,-0.2 -2,-0.2 0.883 109.2 50.6 -40.0 -47.0 -7.0 52.9 101.4 115 115 A S H ><5S+ 0 0 78 -4,-1.3 3,-2.2 3,-0.2 -1,-0.2 0.972 107.3 52.8 -51.3 -65.6 -9.4 55.6 102.7 116 116 A K H 3<5S+ 0 0 117 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.863 109.4 44.5 -35.8 -69.6 -11.1 53.2 105.2 117 117 A Y T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.263 113.2-121.9 -68.4 16.4 -7.9 52.0 106.9 118 118 A N T < 5 + 0 0 148 -3,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.807 58.2 162.4 40.4 41.3 -7.0 55.7 106.9 119 119 A K < - 0 0 87 -5,-2.7 2,-0.6 -6,-0.3 -1,-0.1 -0.494 40.4-132.4 -83.4 152.7 -3.9 54.6 104.9 120 120 A N + 0 0 124 -2,-0.2 2,-0.9 -3,-0.1 3,-0.4 -0.723 36.4 159.8-117.6 85.3 -1.8 57.1 102.8 121 121 A I + 0 0 23 -2,-0.6 -7,-0.1 1,-0.2 -6,-0.1 -0.720 27.9 121.0-102.1 77.9 -1.2 55.6 99.4 122 122 A D S S+ 0 0 122 -2,-0.9 -1,-0.2 1,-0.0 -2,-0.0 0.589 81.7 46.1-108.6 -21.6 -0.3 58.6 97.2 123 123 A L S S+ 0 0 127 -3,-0.4 2,-0.6 2,-0.0 -2,-0.1 0.252 84.7 109.6-102.6 5.4 3.1 57.1 96.3 124 124 A V - 0 0 29 -34,-0.1 2,-0.5 -33,-0.0 -34,-0.0 -0.846 52.9-162.7 -93.2 119.4 1.8 53.6 95.6 125 125 A R - 0 0 39 -2,-0.6 70,-0.2 -34,-0.0 71,-0.1 -0.917 8.0-141.4-104.7 119.3 2.1 52.9 91.9 126 126 A H E - f 0 195A 4 68,-2.1 70,-1.4 -2,-0.5 2,-0.4 -0.104 15.0-123.6 -71.1 173.0 0.2 50.0 90.4 127 127 A Q E -ef 93 196A 9 -35,-2.3 -33,-3.1 68,-0.2 2,-0.5 -0.999 18.0-150.1-128.3 126.3 1.6 47.8 87.6 128 128 A L E -ef 94 197A 0 68,-4.4 70,-3.3 -2,-0.4 2,-0.7 -0.868 3.7-153.8-101.5 125.9 -0.3 47.4 84.3 129 129 A M E + f 0 198A 0 -35,-0.9 2,-0.3 -2,-0.5 70,-0.2 -0.908 22.0 170.5-107.5 106.8 -0.1 44.1 82.4 130 130 A L E - f 0 199A 2 68,-1.2 70,-2.5 -2,-0.7 2,-0.9 -0.863 33.9-137.7-119.1 146.3 -0.7 44.4 78.6 131 131 A H - 0 0 0 -2,-0.3 70,-0.2 68,-0.2 68,-0.1 -0.708 31.6-161.5 -97.1 72.2 -0.2 42.1 75.6 132 132 A V + 0 0 8 -2,-0.9 71,-0.7 68,-0.3 72,-0.4 -0.162 19.4 170.0 -61.0 154.0 1.3 44.4 72.9 133 133 A N E -h 174 0C 0 40,-1.2 42,-1.4 70,-0.1 2,-0.5 -0.618 12.7-167.3-165.2 100.1 1.3 43.4 69.2 134 134 A V E +h 175 0C 10 40,-0.2 2,-0.4 -2,-0.2 42,-0.2 -0.871 18.9 153.2-103.4 120.8 2.4 46.1 66.8 135 135 A N - 0 0 28 40,-1.1 6,-0.2 -2,-0.5 5,-0.1 -0.956 45.1-135.0-147.9 121.2 1.8 45.8 63.0 136 136 A E S S+ 0 0 149 -2,-0.4 2,-0.9 39,-0.1 40,-0.3 0.717 97.1 79.6 -43.9 -27.7 1.4 48.8 60.7 137 137 A A S >> S- 0 0 43 1,-0.2 4,-1.3 38,-0.1 3,-1.0 -0.792 81.5-148.8 -88.6 103.7 -1.5 46.8 59.3 138 138 A E H 3> S+ 0 0 101 -2,-0.9 4,-0.6 1,-0.2 3,-0.4 0.883 88.1 38.7 -30.3 -74.4 -4.3 47.5 61.8 139 139 A T H 3> S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.442 102.7 63.1 -61.4 -23.1 -6.0 44.1 61.4 140 140 A V H <> S+ 0 0 83 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.914 103.6 54.3 -72.8 -43.1 -3.2 41.5 61.1 141 141 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.781 109.9 45.1 -54.2 -43.0 -2.1 42.5 64.6 142 142 A K H X S+ 0 0 53 -4,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.750 111.8 50.4 -76.4 -34.9 -5.5 41.8 66.1 143 143 A E H < S+ 0 0 98 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.592 112.2 51.8 -82.4 -6.3 -6.0 38.5 64.3 144 144 A E H >X S+ 0 0 32 -4,-0.7 3,-0.9 2,-0.1 4,-0.6 0.790 109.1 45.8 -94.4 -36.7 -2.5 37.6 65.6 145 145 A L H 3X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.2 3,-0.2 0.730 101.4 68.9 -77.2 -22.2 -3.2 38.4 69.2 146 146 A K H 3< S+ 0 0 44 -4,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.277 100.2 50.8 -78.8 10.1 -6.5 36.5 68.9 147 147 A L H <> S+ 0 0 53 -3,-0.9 4,-0.7 2,-0.1 -130,-0.6 0.621 102.2 55.4-115.7 -30.1 -4.4 33.4 68.6 148 148 A Y H X S+ 0 0 8 -4,-0.6 4,-0.9 -3,-0.2 -131,-0.3 0.854 121.2 33.4 -70.5 -34.7 -2.2 33.9 71.6 149 149 A I H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.924 106.6 63.8 -82.3 -60.2 -5.4 34.2 73.7 150 150 A E H 4 S+ 0 0 86 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.726 112.0 42.9 -42.2 -26.7 -7.8 31.8 71.9 151 151 A N H >X S+ 0 0 46 -4,-0.7 3,-2.6 2,-0.1 4,-0.6 0.904 108.9 57.5 -82.5 -49.3 -5.3 29.1 73.0 152 152 A Y H 3X S+ 0 0 10 -4,-0.9 4,-1.1 1,-0.3 3,-0.5 0.740 104.2 52.8 -50.6 -37.0 -4.9 30.6 76.4 153 153 A V H 3< S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.336 86.2 81.1 -86.5 5.7 -8.6 30.2 77.1 154 154 A A H <4 S+ 0 0 86 -3,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.878 104.0 37.3 -69.6 -39.5 -8.6 26.5 76.1 155 155 A C H < S+ 0 0 24 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.990 108.5 63.7 -69.9 -72.3 -7.4 26.0 79.7 156 156 A T S < S- 0 0 43 -4,-1.1 -104,-0.0 1,-0.1 -105,-0.0 -0.344 95.6-111.2 -58.2 143.2 -9.3 28.6 81.7 157 157 A Q - 0 0 193 3,-0.0 2,-0.6 1,-0.0 3,-0.1 -0.763 43.3-162.7 -83.9 101.1 -13.1 27.9 81.7 158 158 A P + 0 0 43 0, 0.0 -5,-0.0 0, 0.0 3,-0.0 -0.828 35.2 167.9-102.5 113.3 -14.3 30.9 79.6 159 159 A S S S+ 0 0 96 -2,-0.6 4,-0.3 1,-0.2 5,-0.1 0.778 79.9 75.5 -82.4 -29.4 -17.9 32.1 79.5 160 160 A N S >> S+ 0 0 68 1,-0.2 3,-5.0 2,-0.2 2,-3.0 0.900 75.6 80.2 -42.9 -51.5 -16.5 35.2 77.7 161 161 A F T 34 S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.3 4,-0.0 -0.386 82.4 62.1 -66.3 71.3 -16.2 32.9 74.7 162 162 A N T 34 S- 0 0 160 -2,-3.0 -1,-0.3 0, 0.0 -2,-0.2 -0.036 135.9 -10.5-164.2 -30.2 -19.9 33.4 74.1 163 163 A G T <4 S+ 0 0 73 -3,-5.0 -2,-0.3 -4,-0.3 2,-0.1 0.263 119.6 66.9-168.9 25.2 -19.4 37.1 73.6 164 164 A S < + 0 0 22 -4,-1.5 -3,-0.1 -5,-0.1 -1,-0.1 -0.538 43.9 96.0-170.6 103.1 -15.8 38.4 74.6 165 165 A I S > S+ 0 0 19 -2,-0.1 4,-1.2 -5,-0.1 -15,-0.1 0.199 89.7 65.2-146.9 -17.4 -12.3 37.8 73.2 166 166 A D H > S+ 0 0 80 2,-0.2 4,-3.5 3,-0.1 5,-0.2 0.889 99.0 50.1 -79.6 -44.7 -12.6 41.0 71.2 167 167 A S H > S+ 0 0 31 2,-0.3 4,-2.7 1,-0.2 -67,-0.3 0.889 106.0 54.6 -61.5 -45.4 -12.8 43.3 74.3 168 168 A I H >> S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 3,-0.7 0.972 115.6 41.0 -52.1 -55.3 -9.8 41.8 76.0 169 169 A I H 3< S+ 0 0 2 -4,-1.2 -2,-0.3 1,-0.3 -1,-0.2 0.888 112.8 53.5 -55.3 -47.4 -7.9 42.6 72.8 170 170 A Q H 3< S+ 0 0 113 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.770 112.6 45.6 -58.1 -29.4 -9.7 45.9 72.6 171 171 A S H << S+ 0 0 8 -4,-2.7 -2,-0.3 -3,-0.7 -1,-0.2 0.844 107.6 73.1 -80.1 -39.3 -8.4 46.4 76.2 172 172 A N S < S- 0 0 4 -4,-2.7 2,-0.6 -5,-0.2 -40,-0.1 -0.069 95.7 -91.2 -69.9 174.1 -4.9 45.2 75.2 173 173 A V + 0 0 2 2,-0.0 -40,-1.2 -39,-0.0 2,-0.3 -0.839 59.4 135.0 -99.8 111.7 -2.4 47.1 73.0 174 174 A T E +h 133 0C 29 -2,-0.6 2,-0.3 -42,-0.2 -40,-0.2 -0.973 22.4 59.2-152.2 164.6 -2.3 46.7 69.2 175 175 A G E S-h 134 0C 2 -42,-1.4 -40,-1.1 -2,-0.3 -38,-0.1 -0.752 87.7 -15.6 112.4-162.2 -2.0 48.4 65.8 176 176 A S S S- 0 0 21 -40,-0.3 4,-0.5 -2,-0.3 -43,-0.1 0.055 75.9 -97.0 -60.0-178.6 0.7 50.6 64.3 177 177 A Y S >> S+ 0 0 38 2,-0.2 3,-3.4 1,-0.2 4,-1.9 0.997 116.9 45.4 -68.5 -74.8 3.3 52.2 66.5 178 178 A K H 3> S+ 0 0 140 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.711 113.7 50.1 -38.6 -37.6 2.0 55.8 67.1 179 179 A D H 34 S+ 0 0 93 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.617 110.7 51.6 -81.8 -14.6 -1.6 54.5 67.8 180 180 A C H X> S+ 0 0 11 -3,-3.4 4,-1.9 -4,-0.5 3,-0.6 0.872 114.1 41.9 -82.6 -46.5 0.0 52.0 70.3 181 181 A L H 3X S+ 0 0 49 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.946 116.7 48.4 -64.1 -51.8 2.0 54.8 72.0 182 182 A S H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.463 111.3 52.9 -70.2 -4.1 -1.0 57.1 71.9 183 183 A Y H X> S+ 0 0 65 -3,-0.6 4,-1.3 3,-0.1 3,-0.5 0.823 113.3 37.2 -97.6 -45.5 -3.3 54.4 73.3 184 184 A V H >X S+ 0 0 22 -4,-1.9 4,-3.3 1,-0.2 2,-3.2 0.967 113.4 56.3 -70.3 -54.8 -1.5 53.3 76.4 185 185 A A H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -4,-0.1 -0.116 112.1 46.8 -73.3 46.0 -0.3 56.9 77.2 186 186 A N H <> S+ 0 0 99 -2,-3.2 4,-0.7 -3,-0.5 -1,-0.3 0.212 110.8 49.5-147.3 -43.8 -4.1 57.6 77.1 187 187 A L H <>S+ 0 0 1 -4,-3.3 3,-2.0 1,-0.3 5,-1.9 0.947 99.8 56.8 -44.5 -50.1 -2.3 55.5 81.8 189 189 A G H >45S+ 0 0 35 1,-0.3 3,-1.3 -5,-0.2 -1,-0.3 0.795 94.7 57.7 -44.8 -54.4 -4.8 58.4 82.3 190 190 A K H 3<5S+ 0 0 118 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.542 105.2 57.1 -61.3 -8.6 -7.9 56.3 83.1 191 191 A F T X<5S- 0 0 0 -3,-2.0 3,-3.5 -4,-0.6 -1,-0.3 -0.349 126.2-104.0-113.5 36.3 -5.7 55.0 85.9 192 192 A D T < 5 - 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0 0 150 -4,-1.0 2,-0.4 -3,-0.3 -1,-0.1 0.985 27.7-157.6 74.1 64.0 5.9 14.9 102.0 390 158 B P > - 0 0 24 0, 0.0 2,-3.9 0, 0.0 3,-0.7 -0.597 22.6-125.4 -79.4 129.4 9.6 15.1 103.1 391 159 B S T 3 S+ 0 0 125 -2,-0.4 -2,-0.0 1,-0.2 5,-0.0 -0.258 102.5 40.2 -67.5 56.5 11.5 11.8 103.1 392 160 B N T >> S+ 0 0 28 -2,-3.9 4,-3.0 3,-0.1 3,-2.9 0.399 74.5 89.0-173.0 -33.0 12.4 12.5 106.8 393 161 B F T <4 S+ 0 0 96 -3,-0.7 4,-0.2 1,-0.3 -2,-0.1 0.240 95.0 60.4 -69.7 24.7 9.8 13.9 109.3 394 162 B N T 34 S+ 0 0 165 2,-0.2 -1,-0.3 -2,-0.2 -3,-0.1 0.042 124.6 19.0-129.7 13.2 9.0 10.2 109.8 395 163 B G T <4 S- 0 0 66 -3,-2.9 2,-0.2 0, 0.0 -2,-0.2 0.258 135.7 -70.5-138.8 -76.1 12.6 10.0 110.9 396 164 B S < - 0 0 55 -4,-3.0 2,-0.6 -5,-0.0 3,-0.5 -0.849 27.1-114.8 174.4 155.6 13.3 13.7 111.7 397 165 B I S > S+ 0 0 2 -2,-0.2 4,-0.9 1,-0.2 -4,-0.1 -0.440 78.1 114.7-102.0 55.5 13.8 17.0 109.8 398 166 B D H > + 0 0 71 -2,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.623 68.7 57.4 -98.4 -19.2 17.4 17.3 110.9 399 167 B S H > S+ 0 0 27 -3,-0.5 4,-2.3 2,-0.2 -67,-0.3 0.933 107.6 47.3 -75.5 -49.3 18.8 16.9 107.4 400 168 B I H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.933 115.9 43.9 -55.3 -53.5 16.8 19.9 106.1 401 169 B I H < S+ 0 0 3 -4,-0.9 5,-0.3 1,-0.3 -1,-0.2 0.878 112.6 54.2 -59.8 -39.5 17.9 22.0 109.2 402 170 B Q H < S+ 0 0 121 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.820 108.9 49.0 -58.6 -38.8 21.4 20.6 108.6 403 171 B S H < S+ 0 0 6 -4,-2.3 -1,-0.2 -3,-0.2 -2,-0.2 0.823 109.4 59.8 -72.9 -34.7 21.2 21.9 105.1 404 172 B N S < S- 0 0 1 -4,-1.9 2,-0.6 -5,-0.1 -40,-0.2 0.065 99.8 -84.9 -83.2-168.1 20.0 25.4 106.0 405 173 B V B +o 364 0E 2 -42,-2.4 -40,-2.9 2,-0.0 2,-0.2 -0.844 58.0 145.5-117.9 97.8 21.7 28.0 108.3 406 174 B T + 0 0 23 -2,-0.6 2,-0.5 -5,-0.3 -40,-0.1 -0.692 37.6 58.2-114.3 162.0 21.2 27.7 112.0 407 175 B G S S- 0 0 10 -2,-0.2 -40,-1.0 -38,-0.1 2,-0.4 -0.963 92.4 -26.2 123.3-127.6 23.6 28.5 114.8 408 176 B S >> - 0 0 8 -2,-0.5 4,-2.0 -42,-0.2 3,-1.9 -0.999 55.7-111.6-138.3 134.8 25.4 31.8 115.5 409 177 B Y H 3> S+ 0 0 47 -2,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.733 114.7 46.1 -20.9 -90.7 26.3 34.7 113.2 410 178 B K H 3> S+ 0 0 170 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.709 123.6 39.7 -28.2 -41.9 30.1 34.4 113.2 411 179 B D H <> S+ 0 0 89 -3,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.985 111.0 53.3 -75.6 -73.1 29.6 30.7 112.7 412 180 B C H >X S+ 0 0 8 -4,-2.0 4,-1.6 1,-0.2 3,-1.1 0.779 108.5 54.3 -24.9 -63.8 26.7 30.7 110.2 413 181 B L H >X S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.3 3,-1.4 0.926 107.3 46.2 -34.1 -80.8 28.6 33.0 108.0 414 182 B S H 3X S+ 0 0 77 -4,-1.0 4,-0.9 1,-0.3 -1,-0.3 0.698 111.4 57.6 -38.4 -33.7 31.7 30.9 107.7 415 183 B Y H <>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.3 3,-1.4 0.772 94.7 62.8 -56.1 -32.2 29.7 27.8 98.2 421 189 B G G ><5S+ 0 0 43 -4,-0.8 3,-0.8 1,-0.3 -1,-0.3 0.735 88.3 68.3 -68.4 -24.8 32.8 25.7 97.8 422 190 B K G < 5S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.485 104.0 45.5 -75.9 -1.6 30.6 22.6 97.2 423 191 B F G X 5S- 0 0 5 -3,-1.4 3,-3.5 -4,-0.1 -1,-0.3 -0.492 126.4 -92.4-136.2 57.0 29.5 24.2 93.9 424 192 B D T < 5S- 0 0 146 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.744 73.7 -73.9 27.5 49.2 32.9 25.4 92.5 425 193 B N T 3 > - 0 0 88 1,-0.2 4,-1.6 2,-0.1 3,-1.1 -0.380 68.9-155.4 -50.5 103.2 12.7 38.3 117.6 439 207 B Q H 3> S+ 0 0 46 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.524 84.3 64.8 -63.2 -8.0 12.5 41.1 115.0 440 208 B N H 3> S+ 0 0 116 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.834 101.7 46.3 -82.0 -36.0 15.5 42.9 116.5 441 209 B K H <> S+ 0 0 38 -3,-1.1 4,-4.2 2,-0.2 5,-0.4 0.963 111.1 58.4 -65.9 -46.2 17.9 40.1 115.7 442 210 B K H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.3 5,-0.2 0.923 108.8 39.6 -42.7 -77.4 16.3 40.1 112.3 443 211 B K H X S+ 0 0 62 -4,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.761 121.3 49.0 -47.3 -29.4 17.1 43.8 111.5 444 212 B S H X S+ 0 0 57 -4,-1.5 4,-2.4 -3,-0.2 -2,-0.2 0.943 108.7 46.6 -80.1 -49.0 20.5 43.2 113.1 445 213 B V H X S+ 0 0 6 -4,-4.2 4,-3.9 2,-0.2 -2,-0.2 0.945 119.2 47.6 -51.2 -51.3 21.6 39.9 111.4 446 214 B M H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.4 -2,-0.2 0.948 116.6 36.6 -52.1 -69.4 20.5 41.7 108.2 447 215 B I H X S+ 0 0 41 -4,-2.2 4,-1.3 -5,-0.2 5,-0.3 0.755 115.9 60.4 -59.4 -26.7 22.2 45.1 108.6 448 216 B D H X S+ 0 0 86 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.3 0.992 109.8 39.3 -65.4 -58.2 25.0 43.1 110.2 449 217 B L H >X S+ 0 0 26 -4,-3.9 4,-2.0 2,-0.2 3,-0.8 0.968 113.1 56.8 -50.0 -73.6 25.5 41.1 106.9 450 218 B N H >X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.3 3,-1.4 0.754 110.8 38.8 -17.5 -86.6 24.9 44.1 104.6 451 219 B N H 3X S+ 0 0 95 -4,-1.3 4,-1.8 1,-0.3 -1,-0.3 0.836 115.1 56.0 -38.6 -50.7 27.6 46.5 105.9 452 220 B Q H