==== 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 METAL BINDING PROTEIN 07-SEP-00 1FR9 . COMPND 2 MOLECULE: MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS P . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.W.LAKE,C.A.TEMPLE,K.V.RAJAGOPALAN,H.SCHINDELIN . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.1 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 . 2 1.1 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 3 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 2 A N > 0 0 105 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 155.4 11.4 4.2 6.4 2 3 A L G >> + 0 0 51 1,-0.3 4,-1.7 2,-0.2 3,-1.7 0.846 360.0 73.5 -56.8 -32.5 10.7 7.5 8.2 3 4 A M G 34 S+ 0 0 88 1,-0.3 39,-3.0 2,-0.2 40,-0.5 0.797 104.8 34.7 -51.0 -36.8 14.0 8.6 6.9 4 5 A T G <4 S+ 0 0 101 -3,-1.5 -1,-0.3 37,-0.2 -2,-0.2 0.327 118.0 51.7-103.7 7.5 12.7 9.0 3.4 5 6 A T T <4 S+ 0 0 70 -3,-1.7 83,-0.8 -4,-0.4 2,-0.5 0.567 96.4 64.1-116.1 -17.4 9.1 10.1 4.2 6 7 A I E < -a 88 0A 4 -4,-1.7 2,-0.5 81,-0.1 37,-0.4 -0.955 69.4-142.5-115.2 131.2 9.6 13.1 6.6 7 8 A T E -a 89 0A 11 81,-2.8 83,-2.6 -2,-0.5 37,-0.2 -0.819 18.2-137.6 -89.3 127.5 11.2 16.4 5.6 8 9 A G E -ab 90 44A 0 35,-2.4 37,-2.7 -2,-0.5 2,-0.4 -0.583 19.5-165.9 -83.9 147.1 13.3 17.9 8.3 9 10 A V E -ab 91 45A 0 81,-2.5 83,-1.9 -2,-0.2 2,-0.6 -0.949 14.7-154.5-140.4 116.4 13.1 21.6 8.8 10 11 A V E -ab 92 46A 0 35,-2.5 37,-3.0 -2,-0.4 2,-1.1 -0.792 15.9-146.7 -85.4 119.7 15.3 23.9 10.8 11 12 A L E +ab 93 47A 17 81,-2.9 83,-1.4 -2,-0.6 37,-0.1 -0.785 27.2 170.8 -86.5 96.5 13.3 27.0 11.8 12 13 A A E - 0 0 4 35,-2.4 8,-0.2 -2,-1.1 36,-0.2 0.599 52.8 -64.5 -91.6 -11.5 16.1 29.5 11.6 13 14 A G E - b 0 48A 31 34,-0.5 36,-1.1 -3,-0.1 37,-0.3 -0.014 37.5-132.8 131.3 126.4 14.1 32.7 12.1 14 15 A G 0 0 44 34,-0.1 35,-0.1 35,-0.1 50,-0.0 -0.473 360.0 360.0 -92.6 167.4 11.5 34.8 10.4 15 16 A K 0 0 197 -2,-0.2 -1,-0.1 57,-0.1 34,-0.0 0.973 360.0 360.0 -58.4 360.0 11.7 38.5 9.9 16 ! 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 17 23 A V 0 0 93 0, 0.0 4,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 -90.5 22.2 38.1 14.2 18 24 A D > - 0 0 25 1,-0.2 3,-2.4 2,-0.1 4,-0.1 -0.186 360.0-147.0 -37.9 114.1 20.5 34.8 14.2 19 25 A K G > S+ 0 0 78 1,-0.3 3,-2.2 2,-0.2 10,-0.3 0.779 95.0 77.0 -60.9 -23.1 21.7 33.6 17.7 20 26 A G G 3 S+ 0 0 0 1,-0.3 10,-2.3 -8,-0.2 11,-0.3 0.609 80.3 70.1 -61.1 -12.0 21.6 30.2 16.1 21 27 A L G < S+ 0 0 39 -3,-2.4 -1,-0.3 7,-0.2 -2,-0.2 0.615 74.9 105.4 -80.5 -12.7 24.9 31.3 14.3 22 28 A L S < S- 0 0 63 -3,-2.2 7,-2.5 -4,-0.1 2,-0.3 -0.446 76.0-113.3 -70.3 145.1 26.9 31.2 17.6 23 29 A E E -G 28 0B 104 5,-0.3 2,-0.5 -2,-0.1 -1,-0.1 -0.577 24.1-168.3 -88.9 133.0 29.2 28.2 17.9 24 30 A L E > S-G 27 0B 0 3,-3.0 3,-2.0 -2,-0.3 158,-0.0 -0.994 85.1 -17.1-115.4 117.9 28.8 25.5 20.5 25 31 A N T 3 S- 0 0 69 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.874 132.9 -50.0 50.6 39.8 31.9 23.3 20.7 26 32 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.362 123.0 93.5 87.0 -2.8 33.0 24.7 17.3 27 33 A K E < S-G 24 0B 75 -3,-2.0 -3,-3.0 -5,-0.1 -1,-0.2 -0.969 81.5-107.4-126.4 129.4 29.8 24.2 15.4 28 34 A P E >> -G 23 0B 29 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.274 28.9-119.1 -54.9 137.7 27.0 26.7 15.0 29 35 A L H >> S+ 0 0 0 -7,-2.5 4,-1.6 -10,-0.3 3,-0.7 0.912 113.5 53.1 -45.9 -44.4 23.9 26.0 17.0 30 36 A W H 3> S+ 0 0 4 -10,-2.3 4,-2.5 1,-0.3 -1,-0.3 0.800 106.1 53.2 -67.3 -29.9 21.7 25.8 13.9 31 37 A Q H <> S+ 0 0 32 -3,-0.8 4,-2.9 -11,-0.3 -1,-0.3 0.805 102.0 58.8 -77.1 -28.4 24.1 23.2 12.4 32 38 A H H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.6 0.919 110.3 54.6 -64.2 -37.5 17.9 16.0 11.6 38 44 A M H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 100.5 58.6 -71.2 -21.4 20.1 14.8 8.8 39 45 A T H 3< S+ 0 0 105 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.819 118.7 31.6 -70.7 -32.0 21.2 11.7 10.7 40 46 A Q H << S+ 0 0 22 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.706 122.5 44.0 -98.0 -21.4 17.5 10.7 10.9 41 47 A L < - 0 0 1 -4,-2.2 -37,-0.2 -5,-0.1 -1,-0.2 -0.974 60.4-146.9-135.7 139.3 16.1 12.1 7.7 42 48 A S S S+ 0 0 80 -39,-3.0 2,-0.5 -2,-0.3 -38,-0.1 0.887 88.7 45.1 -70.0 -44.5 17.2 12.2 4.1 43 49 A H + 0 0 85 -40,-0.5 -35,-2.4 -37,-0.4 2,-0.4 -0.934 67.1 166.9-115.5 120.0 15.8 15.5 3.0 44 50 A V E -b 8 0A 9 -2,-0.5 17,-0.6 -37,-0.2 2,-0.3 -0.998 7.1-178.8-137.8 132.2 16.3 18.5 5.3 45 51 A V E -bc 9 61A 0 -37,-2.7 -35,-2.5 -2,-0.4 2,-0.4 -0.799 20.3-127.9-125.3 167.4 15.7 22.2 4.6 46 52 A V E -bc 10 62A 0 15,-2.7 17,-3.0 -2,-0.3 2,-0.7 -0.985 6.6-146.6-123.6 132.0 16.1 25.5 6.5 47 53 A N E +bc 11 63A 5 -37,-3.0 -35,-2.4 -2,-0.4 -34,-0.5 -0.890 41.5 152.3 -92.3 112.6 13.4 28.2 6.9 48 54 A A E -b 13 0A 0 15,-1.5 -34,-0.1 -2,-0.7 17,-0.1 -0.994 36.8-177.5-145.7 147.8 15.5 31.4 7.0 49 55 A N S S+ 0 0 14 -36,-1.1 2,-0.3 -2,-0.3 -35,-0.1 0.320 79.1 42.5-127.1 2.3 14.8 35.1 6.0 50 56 A R S S+ 0 0 141 -37,-0.3 -1,-0.1 1,-0.1 -38,-0.0 -0.956 112.8 18.5-141.5 156.3 18.4 36.4 6.9 51 57 A H S >> S+ 0 0 60 -2,-0.3 4,-1.5 1,-0.1 3,-1.3 0.797 70.3 160.3 54.8 30.3 21.9 35.0 6.2 52 58 A Q H 3> + 0 0 53 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.882 67.2 58.3 -53.0 -41.5 20.4 32.8 3.6 53 59 A E H 3> S+ 0 0 166 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.816 103.2 53.3 -58.6 -34.8 23.8 32.3 1.9 54 60 A I H <> S+ 0 0 74 -3,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.944 112.8 41.3 -67.0 -47.1 25.2 30.9 5.2 55 61 A Y H ><>S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 5,-0.8 0.949 116.0 50.7 -65.6 -45.5 22.6 28.2 5.6 56 62 A Q H ><5S+ 0 0 118 -4,-2.9 3,-2.3 1,-0.3 4,-0.3 0.864 98.9 67.2 -62.6 -33.4 22.6 27.4 1.9 57 63 A A H 3<5S+ 0 0 83 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.726 89.5 63.7 -63.7 -17.7 26.3 27.1 2.0 58 64 A S T <<5S- 0 0 52 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.325 127.2 -93.9 -84.1 2.8 26.1 24.0 4.1 59 65 A G T < 5S+ 0 0 70 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.661 86.3 129.0 95.3 16.9 24.3 22.1 1.3 60 66 A L < - 0 0 8 -5,-0.8 -1,-0.3 -4,-0.3 2,-0.2 -0.882 59.0-123.1-112.3 138.2 20.8 22.9 2.6 61 67 A K E -c 45 0A 104 -17,-0.6 -15,-2.7 -2,-0.4 2,-0.5 -0.558 27.4-140.1 -72.8 136.6 17.9 24.4 0.6 62 68 A V E -c 46 0A 21 -2,-0.2 2,-0.6 -17,-0.2 -15,-0.2 -0.874 10.8-161.7-106.9 127.4 16.5 27.6 2.1 63 69 A I E -c 47 0A 1 -17,-3.0 -15,-1.5 -2,-0.5 2,-0.2 -0.949 10.7-153.4-106.2 118.8 12.9 28.4 2.2 64 70 A E - 0 0 95 -2,-0.6 -15,-0.2 -17,-0.2 -50,-0.1 -0.596 26.4 -96.7 -91.2 153.8 12.0 32.0 2.7 65 71 A D - 0 0 29 -2,-0.2 2,-0.6 -17,-0.1 -1,-0.2 0.040 56.6 -8.9 -63.6 165.2 8.8 33.0 4.3 66 72 A S - 0 0 33 9,-0.4 2,-1.1 4,-0.1 -1,-0.1 -0.733 26.5-143.6 120.0-109.6 5.5 34.1 3.4 67 73 A L S S+ 0 0 140 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 -0.652 112.1 29.4 82.3 -54.5 3.4 35.1 0.7 68 74 A A S S- 0 0 49 -2,-1.1 -1,-0.1 7,-0.1 -2,-0.0 0.377 104.0-107.8-115.1 3.5 1.9 37.5 3.3 69 75 A D + 0 0 140 1,-0.1 6,-0.0 6,-0.1 -2,-0.0 0.914 52.5 177.7 73.5 37.6 4.2 38.6 6.0 70 76 A Y - 0 0 49 5,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.432 26.2-110.7 -72.8 155.9 2.6 36.5 8.8 71 77 A P > - 0 0 31 0, 0.0 4,-0.6 0, 0.0 3,-0.3 -0.605 60.4 -5.5 -90.5 148.4 4.1 36.5 12.2 72 78 A G H >> S- 0 0 47 -2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.058 98.9 -40.0 76.9-175.5 6.0 33.9 14.2 73 79 A P H 3> S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.784 126.9 62.7 -59.0 -33.2 6.9 30.2 13.8 74 80 A L H 3> S+ 0 0 1 75,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.890 99.3 56.7 -61.9 -38.1 3.5 29.2 12.3 75 81 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.8 0.944 110.8 49.1 -65.7 -44.3 7.6 25.5 4.2 81 87 A M H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.1 51.5 -64.3 -35.1 4.4 23.5 3.5 82 88 A Q H 3< S+ 0 0 55 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.723 119.2 35.9 -70.1 -20.9 3.6 25.9 0.6 83 89 A Q H << S+ 0 0 86 -4,-1.1 2,-0.4 -3,-0.8 -2,-0.2 0.428 110.7 61.8-116.7 -0.2 7.0 25.4 -0.9 84 90 A E < - 0 0 20 -4,-1.3 -1,-0.1 -3,-0.1 -77,-0.0 -0.977 66.2-144.4-130.7 142.3 7.9 21.8 -0.3 85 91 A A + 0 0 93 -2,-0.4 -4,-0.1 -3,-0.0 -1,-0.1 0.511 55.1 115.1 -87.5 -10.3 6.1 18.7 -1.5 86 92 A G - 0 0 20 1,-0.1 -2,-0.1 2,-0.1 -80,-0.1 -0.136 61.5-135.8 -59.9 166.5 6.3 16.1 1.3 87 93 A E S S+ 0 0 113 -82,-0.4 47,-3.1 1,-0.2 2,-0.4 0.815 89.3 41.0 -78.2 -35.8 3.4 14.7 3.3 88 94 A W E -aD 6 133A 28 -83,-0.8 -81,-2.8 45,-0.2 2,-0.4 -0.940 61.8-172.1-125.5 141.2 5.3 15.1 6.6 89 95 A F E -aD 7 132A 0 43,-2.3 43,-3.2 -2,-0.4 2,-0.6 -0.987 11.9-157.7-129.5 138.4 7.5 17.7 8.2 90 96 A L E -aD 8 131A 0 -83,-2.6 -81,-2.5 -2,-0.4 2,-0.3 -0.957 21.9-166.5-114.1 105.2 9.6 17.6 11.4 91 97 A F E +aD 9 130A 0 39,-2.6 39,-1.1 -2,-0.6 -81,-0.2 -0.673 12.5 170.0 -89.1 147.0 10.3 21.2 12.4 92 98 A C E -a 10 0A 0 -83,-1.9 -81,-2.9 -2,-0.3 37,-0.2 -0.935 30.5-117.9-153.7 137.3 12.8 22.2 15.0 93 99 A P E > -a 11 0A 21 0, 0.0 3,-0.8 0, 0.0 -81,-0.2 -0.217 29.8-111.0 -68.7 165.8 14.1 25.6 16.0 94 100 A C T 3 S+ 0 0 12 -83,-1.4 -61,-0.3 1,-0.2 -62,-0.2 0.513 105.4 59.7 -74.6 -8.6 17.8 26.6 15.7 95 101 A D T 3 S+ 0 0 18 1,-0.1 80,-2.7 -65,-0.1 -1,-0.2 0.081 77.2 84.0-118.0 20.9 18.7 26.7 19.4 96 102 A T X + 0 0 1 -3,-0.8 3,-1.2 78,-0.2 78,-0.2 -0.724 50.7 168.2-119.3 74.7 18.0 23.2 20.7 97 103 A P T 3 + 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.635 64.3 60.1 -71.3 -14.4 21.2 21.6 19.8 98 104 A Y T 3 + 0 0 71 75,-0.4 74,-0.1 73,-0.3 76,-0.1 0.199 66.2 152.0-101.6 17.5 20.9 18.4 21.7 99 105 A I < - 0 0 9 -3,-1.2 73,-0.1 1,-0.1 -7,-0.0 -0.167 50.9-102.4 -52.4 141.6 17.7 17.0 20.1 100 106 A P > - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.166 12.8-120.5 -77.8 159.0 17.7 13.2 20.3 101 107 A P T 3 S+ 0 0 112 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.580 113.6 50.4 -71.0 -13.8 18.5 10.7 17.6 102 108 A D T 3> S+ 0 0 54 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.050 73.8 117.9-110.5 21.8 15.0 9.1 17.9 103 109 A L H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.919 79.5 39.8 -53.9 -57.1 13.1 12.4 17.7 104 110 A A H > S+ 0 0 3 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 116.9 49.6 -63.4 -44.6 11.2 11.5 14.5 105 111 A A H > S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.934 113.8 44.2 -63.5 -45.5 10.6 7.9 15.4 106 112 A R H X S+ 0 0 57 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.940 113.9 49.1 -69.1 -43.8 9.2 8.7 18.9 107 113 A L H < S+ 0 0 0 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.926 116.1 44.7 -57.9 -48.3 7.0 11.6 17.7 108 114 A N H >< S+ 0 0 42 -4,-2.8 3,-1.3 -5,-0.2 4,-0.3 0.921 111.5 51.2 -64.6 -40.5 5.7 9.4 14.9 109 115 A H H >< S+ 0 0 147 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.869 114.3 44.9 -64.1 -32.9 5.1 6.4 17.2 110 116 A Q T 3< S+ 0 0 66 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.283 81.8 101.6 -95.8 9.9 3.2 8.5 19.7 111 117 A R T X - 0 0 40 -3,-1.3 3,-2.0 -4,-0.2 -1,-0.2 0.783 66.1-154.7 -69.0 -31.0 1.1 10.4 17.2 112 118 A K T < S- 0 0 156 -3,-0.5 -2,-0.1 -4,-0.3 -1,-0.1 0.915 71.3 -56.9 56.3 41.2 -2.0 8.3 17.8 113 119 A D T 3 S+ 0 0 149 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.492 101.6 141.9 64.8 11.0 -3.2 9.1 14.4 114 120 A A < - 0 0 10 -3,-2.0 -1,-0.2 1,-0.1 46,-0.1 -0.417 56.6-131.8 -76.8 151.6 -3.1 12.8 15.0 115 121 A P S S+ 0 0 36 0, 0.0 18,-3.0 0, 0.0 2,-0.3 0.544 89.8 28.6 -83.6 -7.1 -2.0 15.2 12.1 116 122 A V E +E 132 0A 0 16,-0.2 45,-1.0 -5,-0.2 2,-0.3 -0.977 60.5 172.2-153.6 143.4 0.4 17.0 14.4 117 123 A V E -Ef 131 161A 0 14,-1.8 14,-2.3 -2,-0.3 2,-0.3 -0.971 8.7-168.3-145.6 151.9 2.4 16.3 17.6 118 124 A W E -Ef 130 162A 0 43,-1.3 45,-2.5 -2,-0.3 2,-0.3 -0.885 29.1 -89.8-138.4 166.8 5.0 18.3 19.5 119 125 A V E -Ef 126 163A 0 10,-1.7 7,-3.1 7,-1.0 2,-0.4 -0.616 24.2-171.4 -83.5 136.0 7.5 17.6 22.3 120 126 A H E -Ef 125 164A 51 43,-2.6 45,-2.8 -2,-0.3 5,-0.2 -0.999 10.1-160.3-115.7 125.7 6.8 18.0 26.0 121 127 A D - 0 0 35 3,-2.4 49,-0.2 -2,-0.4 4,-0.1 0.409 52.0 -92.6 -90.6 6.3 10.2 17.6 27.8 122 128 A G S S+ 0 0 44 2,-0.2 3,-0.1 45,-0.1 44,-0.1 -0.093 123.7 46.6 105.6 -29.8 8.7 16.8 31.2 123 129 A E S S- 0 0 177 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.716 120.0 -3.7-109.7 -39.7 8.7 20.4 32.3 124 130 A R - 0 0 112 2,-0.0 -3,-2.4 0, 0.0 -1,-0.4 -0.987 69.5 -93.8-152.3 165.7 7.3 22.3 29.4 125 131 A D E - E 0 120A 51 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.518 17.2-164.5 -77.7 147.6 6.0 22.2 25.8 126 132 A H E > + E 0 119A 13 -7,-3.1 3,-1.8 -2,-0.2 -7,-1.0 -0.794 14.8 175.2-127.3 77.5 8.2 22.8 22.8 127 133 A P E 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.638 74.0 60.9 -67.5 -16.8 5.4 23.4 20.2 128 134 A T E 3 S+ 0 0 28 1,-0.1 2,-0.9 -3,-0.1 -117,-0.1 0.350 87.0 76.6 -89.3 1.7 7.9 24.3 17.5 129 135 A I E < S+ 0 0 0 -3,-1.8 -10,-1.7 -37,-0.2 2,-0.4 -0.880 80.6 147.1-104.2 89.8 9.5 20.9 17.8 130 136 A A E -DE 91 118A 0 -39,-1.1 -39,-2.6 -2,-0.9 2,-0.6 -0.989 55.3-141.0-139.8 144.9 6.7 19.3 15.9 131 137 A L E -DE 90 117A 0 -14,-2.3 -14,-1.8 -2,-0.4 2,-0.4 -0.908 36.5-173.6-103.6 118.8 5.8 16.5 13.5 132 138 A V E -DE 89 116A 4 -43,-3.2 -43,-2.3 -2,-0.6 2,-0.4 -0.957 22.5-145.2-126.7 128.7 3.3 17.9 11.1 133 139 A N E > -D 88 0A 16 -18,-3.0 3,-1.9 -2,-0.4 -45,-0.2 -0.727 25.7-127.4 -86.0 140.2 1.2 16.4 8.3 134 140 A R G > S+ 0 0 61 -47,-3.1 3,-2.3 -2,-0.4 -1,-0.1 0.646 96.0 87.6 -67.8 -8.2 0.6 18.7 5.4 135 141 A A G 3 S+ 0 0 68 -48,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.685 82.4 60.5 -58.0 -21.3 -3.2 18.1 5.7 136 142 A I G <> S+ 0 0 12 -3,-1.9 4,-2.5 -21,-0.2 -1,-0.3 0.467 73.8 99.6 -91.2 9.2 -3.3 21.0 8.2 137 143 A E H <> S+ 0 0 51 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.918 83.7 47.2 -54.4 -50.0 -1.9 23.4 5.6 138 144 A P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.918 112.0 49.6 -61.8 -42.4 -5.4 24.8 4.9 139 145 A L H > S+ 0 0 59 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.903 111.6 49.8 -61.3 -41.9 -6.3 25.1 8.6 140 146 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.900 109.9 49.8 -63.5 -44.2 -3.0 27.0 9.2 141 147 A L H X S+ 0 0 51 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.940 112.5 47.7 -58.3 -49.1 -3.6 29.4 6.4 142 148 A E H X S+ 0 0 126 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.913 111.4 51.6 -60.6 -41.0 -7.1 30.1 7.7 143 149 A Y H <>S+ 0 0 17 -4,-2.4 5,-2.0 1,-0.2 -1,-0.2 0.912 113.3 42.7 -61.0 -44.9 -5.8 30.6 11.2 144 150 A L H ><5S+ 0 0 5 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.865 110.8 55.4 -73.2 -37.9 -3.1 33.0 10.2 145 151 A Q H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 102.1 58.8 -63.7 -30.8 -5.4 34.9 7.8 146 152 A A T 3<5S- 0 0 73 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.498 123.2-107.1 -74.4 -3.8 -7.8 35.4 10.8 147 153 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.533 73.1 140.9 88.6 8.6 -5.0 37.2 12.6 148 154 A E < + 0 0 81 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.557 20.0 167.4 -86.4 149.4 -4.2 34.4 15.1 149 155 A R + 0 0 166 -2,-0.2 -75,-0.3 -79,-0.1 2,-0.2 0.512 29.8 120.8-136.8 -17.6 -0.6 33.5 16.1 150 156 A R > - 0 0 157 1,-0.1 4,-1.6 2,-0.1 5,-0.1 -0.429 45.6-156.4 -66.1 123.7 -0.5 31.2 19.2 151 157 A V H > S+ 0 0 21 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.954 87.2 41.5 -65.8 -62.8 1.4 28.0 18.2 152 158 A M H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 112.5 56.0 -58.7 -38.2 0.0 25.5 20.7 153 159 A V H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 110.7 45.7 -57.0 -48.0 -3.5 26.8 20.4 154 160 A F H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.953 111.8 50.6 -58.9 -50.8 -3.3 26.1 16.7 155 161 A M H <>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 4,-0.3 0.903 112.3 47.1 -60.3 -36.3 -1.8 22.7 17.1 156 162 A R H ><5S+ 0 0 134 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.919 109.3 54.3 -66.1 -40.5 -4.6 21.7 19.6 157 163 A L H 3<5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.800 104.4 55.9 -65.1 -29.1 -7.3 23.1 17.2 158 164 A A T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.563 128.0 -99.4 -78.6 -8.2 -5.8 20.8 14.5 159 165 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.599 76.4 140.8 99.5 13.9 -6.3 17.8 16.7 160 166 A G < - 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 -43,-0.2 -0.179 29.1-167.5 -86.3 173.9 -2.7 17.5 18.0 161 167 A H E -f 117 0A 47 -45,-1.0 -43,-1.3 -50,-0.0 2,-0.2 -0.979 26.8 -94.5-153.5 166.4 -1.2 16.6 21.3 162 168 A A E -f 118 0A 32 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.465 30.1-142.6 -83.1 150.2 2.1 16.7 23.1 163 169 A V E -f 119 0A 3 -45,-2.5 -43,-2.6 -2,-0.2 2,-0.5 -0.972 22.1-116.1-119.2 129.8 4.4 13.7 23.3 164 170 A D E +f 120 0A 96 -2,-0.4 -43,-0.2 -45,-0.2 3,-0.1 -0.521 41.7 159.4 -71.6 116.9 6.3 12.8 26.5 165 171 A F > + 0 0 0 -45,-2.8 3,-2.2 -2,-0.5 6,-0.2 -0.052 31.6 128.0-117.8 27.5 10.1 13.1 26.1 166 172 A S T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -46,-0.2 -45,-0.1 0.731 70.2 58.3 -59.4 -23.5 10.7 13.4 29.9 167 173 A D T 3 S+ 0 0 102 1,-0.1 2,-1.2 -3,-0.1 -1,-0.3 0.542 82.4 88.8 -83.3 -4.7 13.2 10.5 29.7 168 174 A H S X S- 0 0 31 -3,-2.2 3,-1.9 -47,-0.1 4,-0.4 -0.720 82.9-137.7-102.4 85.7 15.5 12.3 27.2 169 175 A K T 3 - 0 0 183 -2,-1.2 -2,-0.1 1,-0.3 -3,-0.1 -0.199 68.6 -24.5 -55.1 113.5 17.7 14.2 29.6 170 176 A D T > S+ 0 0 85 -49,-0.2 3,-1.1 -2,-0.1 -1,-0.3 0.598 95.6 129.4 62.0 17.6 18.6 17.7 28.7 171 177 A A T < S+ 0 0 10 -3,-1.9 -73,-0.3 1,-0.2 -2,-0.1 0.738 73.7 45.7 -71.3 -19.5 17.9 16.9 25.0 172 178 A F T 3 S+ 0 0 4 -4,-0.4 -1,-0.2 -51,-0.1 -51,-0.1 0.113 76.0 139.5-114.6 17.7 15.6 19.9 24.7 173 179 A V < - 0 0 21 -3,-1.1 2,-0.5 -77,-0.1 -75,-0.4 -0.389 42.2-147.6 -55.7 135.9 17.7 22.5 26.4 174 180 A N - 0 0 23 -78,-0.2 2,-1.0 -77,-0.1 -78,-0.2 -0.925 8.4-136.4-114.3 139.0 17.4 25.7 24.5 175 181 A V + 0 0 1 -80,-2.7 -146,-0.0 -2,-0.5 -2,-0.0 -0.813 28.6 172.6 -91.4 98.4 20.3 28.1 24.3 176 182 A N + 0 0 91 -2,-1.0 -1,-0.2 1,-0.1 -157,-0.1 0.862 60.8 2.8 -73.5 -39.7 18.5 31.4 24.9 177 183 A T S > S- 0 0 55 1,-0.1 4,-2.4 -158,-0.0 3,-0.2 -0.889 78.2 -94.8-141.0 167.4 21.6 33.7 25.1 178 184 A P H > S+ 0 0 82 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.865 123.1 57.0 -51.8 -39.9 25.4 33.7 24.8 179 185 A E H > S+ 0 0 140 2,-0.2 4,-0.9 1,-0.2 -4,-0.0 0.911 106.7 45.6 -60.5 -44.2 25.5 33.4 28.6 180 186 A E H >> S+ 0 0 43 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.927 107.3 60.8 -65.0 -39.4 23.5 30.1 28.5 181 187 A L H >X S+ 0 0 6 -4,-2.4 4,-1.3 1,-0.3 3,-1.2 0.902 99.8 55.6 -56.8 -37.9 25.7 29.0 25.7 182 188 A A H 3< S+ 0 0 68 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.813 98.1 60.6 -65.0 -28.0 28.6 29.3 28.1 183 189 A R H << S+ 0 0 179 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.718 113.2 40.4 -67.6 -19.4 26.9 26.9 30.6 184 190 A W H << S+ 0 0 58 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.635 79.8 119.7-103.7 -19.4 27.0 24.3 27.9 185 191 A Q < 0 0 94 -4,-1.3 -161,-0.0 1,-0.2 -3,-0.0 -0.184 360.0 360.0 -50.7 142.0 30.5 24.8 26.2 186 192 A E 0 0 203 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.683 360.0 360.0 -85.4 360.0 32.4 21.5 26.6