==== 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 1FRW . 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) . 9019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 11.4 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 . 12 6.5 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 2 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 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 0 107 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 148.0 11.7 4.0 6.4 2 3 A L G >> + 0 0 52 1,-0.3 3,-1.9 2,-0.2 4,-1.1 0.833 360.0 74.5 -50.1 -34.4 10.8 7.3 8.2 3 4 A M G 34 S+ 0 0 87 1,-0.3 39,-3.0 2,-0.2 40,-0.5 0.787 102.5 36.0 -51.9 -35.4 14.1 8.5 6.9 4 5 A T G <4 S+ 0 0 101 -3,-1.8 -1,-0.3 37,-0.2 -2,-0.2 0.313 116.7 53.1-102.2 6.6 12.8 8.9 3.4 5 6 A T T <4 S+ 0 0 74 -3,-1.9 83,-0.7 -4,-0.3 2,-0.5 0.512 95.0 63.6-119.6 -6.4 9.3 10.1 4.3 6 7 A I E < S-a 88 0A 4 -4,-1.1 2,-0.6 81,-0.1 37,-0.5 -0.982 70.6-140.6-122.0 130.8 9.6 13.0 6.6 7 8 A T E -a 89 0A 13 81,-2.7 83,-2.8 -2,-0.5 2,-0.3 -0.810 18.3-137.8 -89.4 128.5 11.2 16.3 5.6 8 9 A G E -ab 90 44A 0 35,-2.5 37,-2.8 -2,-0.6 2,-0.4 -0.603 19.2-166.7 -86.6 145.1 13.3 17.9 8.3 9 10 A V E -ab 91 45A 0 81,-2.8 83,-2.0 -2,-0.3 2,-0.6 -0.959 14.4-154.7-136.5 120.1 13.1 21.6 8.8 10 11 A V E -ab 92 46A 0 35,-2.4 37,-3.0 -2,-0.4 2,-1.2 -0.814 16.3-145.7 -90.8 121.8 15.4 23.9 10.8 11 12 A L E +ab 93 47A 15 81,-2.6 83,-1.8 -2,-0.6 37,-0.1 -0.792 31.7 164.2 -86.9 92.2 13.4 27.0 11.9 12 13 A A + 0 0 9 35,-2.5 2,-0.3 -2,-1.2 36,-0.2 0.649 36.8 168.9 -90.5 -23.2 16.2 29.5 11.6 13 14 A G + 0 0 23 34,-1.1 -1,-0.2 -3,-0.2 52,-0.2 -0.468 23.8 98.3 111.3-151.4 13.8 32.3 11.7 14 15 A G 0 0 35 -2,-0.3 35,-0.3 -3,-0.1 4,-0.1 0.104 360.0 360.0 -49.7 143.2 12.9 35.9 12.0 15 16 A K 0 0 225 33,-0.1 -1,-0.1 35,-0.0 -2,-0.0 0.348 360.0 360.0 -2.2 360.0 12.0 38.8 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 0 134 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 152.4 22.9 38.1 14.0 18 24 A D > - 0 0 7 1,-0.2 3,-1.9 2,-0.1 4,-0.1 -0.351 360.0-139.5 -48.3 126.3 20.8 35.0 14.3 19 25 A K G > S+ 0 0 85 1,-0.3 3,-2.6 2,-0.2 10,-0.3 0.809 100.1 76.5 -64.4 -25.3 22.0 33.7 17.8 20 26 A G G 3 S+ 0 0 1 1,-0.3 10,-2.6 -8,-0.2 11,-0.3 0.613 81.6 66.8 -57.8 -15.1 21.8 30.3 16.0 21 27 A L G < S+ 0 0 35 -3,-1.9 -1,-0.3 7,-0.2 -2,-0.2 0.583 76.1 108.1 -82.3 -13.4 25.0 31.3 14.4 22 28 A L S < S- 0 0 54 -3,-2.6 7,-2.5 -4,-0.1 2,-0.3 -0.425 75.2-113.8 -66.1 140.8 26.9 31.2 17.7 23 29 A E E -G 28 0B 102 5,-0.3 2,-0.5 -2,-0.1 -1,-0.1 -0.548 24.4-167.5 -82.9 132.7 29.3 28.2 18.0 24 30 A L E > S-G 27 0B 0 3,-3.1 3,-1.8 -2,-0.3 158,-0.0 -0.993 84.5 -17.2-116.6 118.7 28.8 25.4 20.4 25 31 A N T 3 S- 0 0 73 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.880 133.0 -50.7 51.7 37.4 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 0.541 122.7 96.1 85.0 2.9 33.0 24.8 17.4 27 33 A K E < S-G 24 0B 73 -3,-1.8 -3,-3.1 -5,-0.1 -1,-0.2 -0.998 81.8-107.0-128.6 129.4 29.8 24.2 15.5 28 34 A P E >> -G 23 0B 30 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.236 29.7-119.2 -53.5 137.7 27.2 26.8 15.0 29 35 A L H >> S+ 0 0 1 -7,-2.5 4,-1.6 -10,-0.3 3,-0.8 0.928 113.6 54.2 -46.0 -46.9 24.0 26.0 17.1 30 36 A W H 3> S+ 0 0 6 -10,-2.6 4,-2.4 1,-0.3 -1,-0.3 0.844 105.2 53.5 -62.9 -30.5 21.9 25.8 13.9 31 37 A Q H <> S+ 0 0 32 -3,-0.9 4,-2.9 -11,-0.3 -1,-0.3 0.783 100.8 60.0 -75.4 -29.3 24.2 23.2 12.4 32 38 A H H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.908 109.9 53.2 -63.7 -41.3 18.0 16.0 11.7 38 44 A M H 3< S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 101.4 59.1 -69.5 -20.9 20.1 14.8 8.8 39 45 A T H 3< S+ 0 0 103 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.842 118.4 31.6 -71.4 -32.4 21.2 11.7 10.7 40 46 A Q H << S+ 0 0 21 -4,-1.0 2,-0.4 -3,-0.6 -2,-0.2 0.682 122.6 44.2 -94.8 -23.6 17.5 10.7 11.0 41 47 A L < - 0 0 1 -4,-2.2 -37,-0.2 -5,-0.1 -1,-0.2 -0.976 61.0-147.3-134.5 135.2 16.1 12.1 7.7 42 48 A S S S+ 0 0 79 -39,-3.0 2,-0.5 -2,-0.4 -38,-0.1 0.880 88.9 44.3 -66.5 -44.5 17.3 12.1 4.1 43 49 A H + 0 0 82 -40,-0.5 -35,-2.5 -37,-0.5 2,-0.4 -0.945 67.7 167.2-116.2 117.5 15.9 15.5 3.0 44 50 A V E -b 8 0A 10 -2,-0.5 17,-0.5 -37,-0.2 2,-0.3 -0.996 7.7-177.2-135.0 132.2 16.3 18.5 5.3 45 51 A V E -bc 9 61A 0 -37,-2.8 -35,-2.4 -2,-0.4 2,-0.4 -0.797 20.1-126.0-126.7 167.8 15.8 22.2 4.6 46 52 A V E -bc 10 62A 0 15,-2.7 17,-3.3 -2,-0.3 2,-0.8 -0.984 6.0-148.3-120.9 129.6 16.2 25.5 6.5 47 53 A N E +bc 11 63A 6 -37,-3.0 -35,-2.5 -2,-0.4 -34,-1.1 -0.904 41.3 152.3 -91.8 111.2 13.5 28.2 6.9 48 54 A A - 0 0 0 15,-1.4 17,-0.1 -2,-0.8 -34,-0.1 -0.991 36.4-175.4-143.7 146.3 15.6 31.4 7.0 49 55 A N S S+ 0 0 35 -2,-0.3 2,-0.3 -35,-0.3 -35,-0.1 0.318 78.7 35.5-125.9 4.5 14.9 35.0 6.1 50 56 A R S S+ 0 0 112 1,-0.1 -1,-0.2 2,-0.0 -38,-0.0 -0.948 112.7 24.7-148.0 161.7 18.4 36.4 6.7 51 57 A H S >> S+ 0 0 58 -2,-0.3 4,-1.5 1,-0.1 3,-1.3 0.787 70.6 159.2 53.5 33.5 21.9 35.0 6.2 52 58 A Q H 3> + 0 0 55 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.867 66.6 57.3 -56.9 -38.5 20.4 32.8 3.5 53 59 A E H 3> S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.808 102.7 54.0 -61.8 -33.6 23.8 32.3 1.9 54 60 A I H <> S+ 0 0 76 -3,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.956 113.1 41.5 -67.2 -49.7 25.3 30.9 5.2 55 61 A Y H ><>S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.2 5,-0.8 0.927 114.9 51.9 -64.0 -44.0 22.6 28.3 5.6 56 62 A Q H ><5S+ 0 0 119 -4,-2.7 3,-2.2 1,-0.3 4,-0.3 0.857 98.3 66.5 -62.1 -34.7 22.7 27.4 1.9 57 63 A A H 3<5S+ 0 0 83 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 89.3 64.2 -64.2 -17.6 26.4 27.0 1.9 58 64 A S T <<5S- 0 0 52 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.356 127.3 -95.5 -82.3 1.7 26.2 23.9 4.2 59 65 A G T < 5S+ 0 0 67 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.657 84.7 129.1 95.0 16.4 24.3 22.1 1.4 60 66 A L < - 0 0 8 -5,-0.8 -1,-0.3 -4,-0.3 2,-0.2 -0.875 59.3-120.5-111.9 137.3 20.8 22.9 2.6 61 67 A K E -c 45 0A 102 -17,-0.5 -15,-2.7 -2,-0.4 2,-0.5 -0.495 28.9-139.5 -69.4 134.7 18.0 24.4 0.6 62 68 A V E -c 46 0A 22 -2,-0.2 2,-0.6 -17,-0.2 -15,-0.2 -0.862 11.9-162.8-104.2 129.1 16.6 27.6 2.1 63 69 A I E -c 47 0A 0 -17,-3.3 -15,-1.4 -2,-0.5 2,-0.2 -0.961 9.3-154.1-110.5 122.2 13.0 28.4 2.2 64 70 A E - 0 0 93 -2,-0.6 -15,-0.2 -17,-0.2 3,-0.1 -0.590 30.0 -90.0 -92.2 154.2 12.0 32.0 2.8 65 71 A D - 0 0 38 -2,-0.2 -1,-0.1 -52,-0.2 11,-0.1 -0.218 48.4 -92.2 -62.0 150.2 8.8 33.1 4.3 66 72 A S > - 0 0 30 9,-0.4 3,-1.2 1,-0.1 4,-0.1 -0.127 31.1-118.9 -51.0 157.6 5.8 33.8 2.3 67 73 A L T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.493 102.2 89.4 -81.8 0.1 5.3 37.3 1.2 68 74 A A T 3 S- 0 0 50 7,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.803 92.0-139.5 -65.1 -25.0 2.0 37.4 3.2 69 75 A D < + 0 0 138 -3,-1.2 -2,-0.1 1,-0.1 -1,-0.1 0.881 33.5 176.6 72.4 36.8 4.3 38.5 6.0 70 76 A Y - 0 0 54 -4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.363 27.8-105.4 -72.0 157.0 2.7 36.4 8.7 71 77 A P > - 0 0 30 0, 0.0 4,-0.6 0, 0.0 3,-0.3 -0.585 61.3 -13.7 -88.6 146.1 4.2 36.4 12.2 72 78 A G H >> S- 0 0 44 -2,-0.3 3,-0.9 1,-0.2 4,-0.9 0.040 100.0 -36.1 72.8-173.9 6.2 33.9 14.1 73 79 A P H 3> S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.820 127.9 63.2 -59.8 -31.2 7.1 30.3 13.8 74 80 A L H 3> S+ 0 0 1 75,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.875 99.0 58.0 -62.3 -33.8 3.7 29.3 12.4 75 81 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 3,-0.5 0.930 111.2 49.4 -68.7 -43.2 7.7 25.5 4.2 81 87 A M H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.6 50.8 -64.5 -32.3 4.4 23.5 3.5 82 88 A Q H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.734 119.5 35.9 -73.9 -22.0 3.6 25.9 0.6 83 89 A Q H << S+ 0 0 89 -4,-1.2 2,-0.4 -3,-0.5 -2,-0.2 0.431 110.0 63.5-113.4 -2.7 7.1 25.4 -0.9 84 90 A E < - 0 0 20 -4,-1.3 -1,-0.1 -3,-0.2 -77,-0.0 -0.981 66.4-146.0-125.8 142.0 7.9 21.8 -0.2 85 91 A A + 0 0 94 -2,-0.4 -1,-0.1 -3,-0.0 -4,-0.1 0.528 56.8 115.5 -85.3 -13.4 6.0 18.8 -1.6 86 92 A G - 0 0 22 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.099 61.0-138.4 -58.4 165.1 6.3 16.3 1.3 87 93 A E S S+ 0 0 113 -82,-0.3 47,-3.2 1,-0.2 2,-0.4 0.846 87.2 40.6 -81.3 -40.0 3.4 14.9 3.4 88 94 A W E -aD 6 133A 27 -83,-0.7 -81,-2.7 45,-0.2 2,-0.4 -0.910 62.6-172.6-119.6 143.5 5.2 15.1 6.7 89 95 A F E -aD 7 132A 0 43,-2.2 43,-3.0 -2,-0.4 2,-0.6 -0.989 12.4-156.8-132.8 135.7 7.6 17.7 8.2 90 96 A L E -aD 8 131A 0 -83,-2.8 -81,-2.8 -2,-0.4 2,-0.3 -0.944 21.2-166.1-113.1 107.8 9.7 17.7 11.4 91 97 A F E +aD 9 130A 0 39,-2.7 39,-1.1 -2,-0.6 -81,-0.2 -0.661 12.3 171.4 -94.1 146.9 10.3 21.2 12.5 92 98 A C E -a 10 0A 0 -83,-2.0 -81,-2.6 -2,-0.3 37,-0.2 -0.934 31.3-117.0-153.4 132.0 12.9 22.2 15.1 93 99 A P E > -a 11 0A 23 0, 0.0 3,-1.0 0, 0.0 -81,-0.2 -0.285 29.8-113.2 -64.2 158.0 14.2 25.6 16.1 94 100 A C T 3 S+ 0 0 11 -83,-1.8 -61,-0.3 1,-0.2 -62,-0.2 0.549 105.7 60.5 -72.4 -5.9 17.8 26.5 15.6 95 101 A D T 3 S+ 0 0 21 1,-0.1 80,-2.8 -63,-0.1 -1,-0.2 0.067 76.4 84.9-116.4 24.8 18.7 26.7 19.3 96 102 A T X + 0 0 2 -3,-1.0 3,-1.4 78,-0.2 78,-0.2 -0.703 50.9 167.7-120.1 72.8 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 0.671 64.0 61.6 -67.2 -15.4 21.3 21.6 19.8 98 104 A Y T 3 + 0 0 69 75,-0.4 74,-0.1 73,-0.3 76,-0.1 0.239 66.4 150.8-100.0 16.8 20.9 18.4 21.8 99 105 A I < - 0 0 9 -3,-1.4 73,-0.1 74,-0.1 -7,-0.0 -0.148 49.7-106.3 -52.8 139.7 17.8 17.0 20.1 100 106 A P > - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.175 11.5-118.6 -78.9 161.6 17.9 13.3 20.3 101 107 A P T 3 S+ 0 0 112 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.556 113.2 50.2 -72.6 -10.2 18.6 10.7 17.7 102 108 A D T 3> S+ 0 0 53 1,-0.1 4,-2.5 2,-0.1 5,-0.3 0.066 74.2 116.9-116.5 20.9 15.1 9.1 18.0 103 109 A L H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 5,-0.3 0.940 79.3 40.6 -55.3 -56.2 13.2 12.4 17.7 104 110 A A H > S+ 0 0 3 -4,-0.2 4,-2.9 1,-0.2 5,-0.2 0.923 116.5 49.5 -62.9 -45.8 11.4 11.5 14.5 105 111 A A H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 112.8 44.9 -62.7 -44.4 10.6 7.9 15.4 106 112 A R H X S+ 0 0 59 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.934 115.6 46.7 -71.1 -41.7 9.2 8.7 18.9 107 113 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.934 115.8 47.4 -61.3 -47.0 7.1 11.6 17.6 108 114 A N H >< S+ 0 0 45 -4,-2.9 3,-1.4 -5,-0.3 4,-0.3 0.920 112.0 48.8 -58.9 -46.9 5.9 9.4 14.7 109 115 A H H 3< S+ 0 0 144 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.834 113.3 47.5 -64.5 -30.4 5.2 6.4 16.9 110 116 A Q T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.224 78.9 103.3 -94.9 11.3 3.2 8.6 19.4 111 117 A R X - 0 0 46 -3,-1.4 3,-2.0 1,-0.1 -1,-0.2 0.872 61.3-161.6 -64.6 -36.0 1.1 10.4 16.8 112 118 A K T 3 S- 0 0 158 -3,-0.5 -1,-0.1 -4,-0.3 -2,-0.1 0.897 73.0 -57.3 50.8 45.6 -2.0 8.2 17.6 113 119 A D T 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.461 102.3 139.9 65.4 7.1 -3.3 9.3 14.2 114 120 A A < - 0 0 9 -3,-2.0 -1,-0.2 1,-0.1 46,-0.1 -0.470 56.7-132.9 -74.7 150.5 -3.2 13.0 15.0 115 121 A P S S+ 0 0 34 0, 0.0 18,-3.1 0, 0.0 2,-0.3 0.512 89.2 30.5 -83.4 -6.1 -2.0 15.3 12.1 116 122 A V E +E 132 0A 0 16,-0.2 45,-1.2 -5,-0.2 2,-0.3 -0.966 60.4 173.4-153.0 138.9 0.4 17.1 14.5 117 123 A V E -Ef 131 161A 0 14,-2.0 14,-2.3 -2,-0.3 2,-0.3 -0.978 8.9-169.2-139.9 152.9 2.5 16.3 17.6 118 124 A W E -Ef 130 162A 0 43,-1.4 45,-2.6 -2,-0.3 2,-0.3 -0.881 29.1 -90.2-137.8 167.2 5.0 18.3 19.5 119 125 A V E -Ef 126 163A 0 10,-1.7 7,-3.0 7,-1.0 2,-0.4 -0.617 24.3-172.0 -84.5 133.1 7.5 17.6 22.3 120 126 A H E -Ef 125 164A 52 43,-2.5 45,-2.7 -2,-0.3 5,-0.2 -0.995 10.2-161.6-113.7 123.0 6.9 17.9 26.0 121 127 A D - 0 0 28 3,-2.4 49,-0.2 -2,-0.4 4,-0.1 0.400 52.4 -91.3 -90.0 8.6 10.2 17.5 27.8 122 128 A G S S+ 0 0 41 2,-0.2 3,-0.1 45,-0.1 44,-0.1 -0.160 123.6 43.6 104.9 -36.1 8.8 16.8 31.2 123 129 A E S S+ 0 0 147 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.693 120.2 3.2-110.4 -31.9 8.8 20.4 32.4 124 130 A R - 0 0 142 2,-0.0 -3,-2.4 0, 0.0 -1,-0.3 -0.990 69.2 -99.4-152.4 163.0 7.4 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 -0.577 16.2-164.2 -77.2 148.3 6.1 22.2 25.9 126 132 A H E > + E 0 119A 15 -7,-3.0 3,-1.9 -2,-0.2 -7,-1.0 -0.799 15.1 175.8-127.7 77.0 8.3 22.8 22.9 127 133 A P E 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.667 74.4 59.5 -66.1 -18.2 5.5 23.4 20.3 128 134 A T E 3 S+ 0 0 29 1,-0.1 2,-0.9 -3,-0.1 -117,-0.1 0.390 86.4 77.8 -89.4 -1.6 7.9 24.3 17.6 129 135 A I E < S+ 0 0 0 -3,-1.9 -10,-1.7 -10,-0.2 2,-0.4 -0.876 80.7 146.8 -99.7 91.2 9.6 20.9 17.8 130 136 A A E -DE 91 118A 0 -39,-1.1 -39,-2.7 -2,-0.9 2,-0.6 -0.987 55.9-141.2-141.6 146.0 6.8 19.3 15.9 131 137 A L E -DE 90 117A 0 -14,-2.3 -14,-2.0 -2,-0.4 2,-0.4 -0.904 37.3-175.0-105.9 120.0 5.9 16.6 13.5 132 138 A V E -DE 89 116A 6 -43,-3.0 -43,-2.2 -2,-0.6 2,-0.4 -0.959 23.7-142.9-131.4 129.8 3.3 18.0 11.2 133 139 A N E > -D 88 0A 15 -18,-3.1 3,-2.0 -2,-0.4 -45,-0.2 -0.740 24.5-128.2 -87.1 137.9 1.2 16.6 8.3 134 140 A R G > S+ 0 0 64 -47,-3.2 3,-2.3 -2,-0.4 -1,-0.1 0.635 95.6 87.1 -62.0 -12.4 0.6 18.9 5.4 135 141 A A G 3 S+ 0 0 69 1,-0.3 4,-0.3 -48,-0.3 -1,-0.3 0.705 82.0 61.0 -60.3 -19.6 -3.2 18.3 5.7 136 142 A I G <> S+ 0 0 12 -3,-2.0 4,-2.5 -21,-0.2 -1,-0.3 0.429 73.9 99.7 -89.6 7.6 -3.3 21.1 8.2 137 143 A E H <> S+ 0 0 44 -3,-2.3 4,-2.8 1,-0.2 5,-0.2 0.930 83.1 47.5 -52.4 -50.4 -2.0 23.6 5.7 138 144 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.930 112.3 49.1 -60.3 -44.8 -5.5 25.0 5.0 139 145 A L H > S+ 0 0 57 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.893 112.5 48.9 -59.1 -43.0 -6.3 25.3 8.7 140 146 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.897 109.1 51.6 -64.1 -43.4 -3.0 27.1 9.3 141 147 A L H X S+ 0 0 53 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.945 111.7 47.0 -59.9 -45.2 -3.5 29.5 6.4 142 148 A E H X S+ 0 0 123 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 111.6 52.3 -63.2 -40.0 -7.0 30.4 7.8 143 149 A Y H <>S+ 0 0 23 -4,-2.2 5,-2.2 2,-0.2 -1,-0.2 0.907 113.4 41.4 -61.8 -47.4 -5.6 30.8 11.3 144 150 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.887 112.2 55.7 -72.3 -40.0 -2.8 33.2 10.2 145 151 A Q H 3<5S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.4 57.7 -59.5 -34.4 -5.2 35.0 7.9 146 152 A A T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.499 124.1-107.6 -72.7 -4.9 -7.5 35.6 10.8 147 153 A G T < 5S+ 0 0 51 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.593 72.3 141.3 89.5 12.6 -4.6 37.3 12.6 148 154 A E < + 0 0 80 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.0 -0.519 20.3 167.8 -90.4 155.0 -3.8 34.5 15.1 149 155 A R + 0 0 164 -2,-0.2 -75,-0.3 -79,-0.1 2,-0.1 0.498 30.1 120.4-139.5 -18.5 -0.3 33.6 16.1 150 156 A R > - 0 0 161 1,-0.1 4,-1.5 2,-0.1 5,-0.1 -0.351 46.0-155.7 -62.7 126.6 -0.2 31.3 19.2 151 157 A V H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 86.3 42.6 -69.2 -56.4 1.5 28.0 18.3 152 158 A M H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 111.4 56.0 -64.4 -37.1 0.2 25.6 20.8 153 159 A V H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 110.1 47.0 -56.3 -43.5 -3.3 26.9 20.5 154 160 A F H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.946 110.4 51.2 -62.9 -47.7 -3.1 26.2 16.7 155 161 A M H <>S+ 0 0 2 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.896 111.7 47.6 -63.7 -33.6 -1.7 22.8 17.2 156 162 A R H ><5S+ 0 0 132 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.929 108.2 54.5 -68.1 -40.2 -4.5 21.8 19.6 157 163 A L H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 104.8 55.3 -65.1 -27.0 -7.2 23.2 17.3 158 164 A A T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.556 127.6-100.0 -78.9 -8.5 -5.8 20.9 14.6 159 165 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.610 74.6 145.7 98.0 18.1 -6.2 17.9 16.8 160 166 A G < - 0 0 11 -5,-2.5 2,-0.3 -6,-0.2 -43,-0.2 -0.196 27.8-164.4 -82.7 170.0 -2.6 17.6 18.0 161 167 A H E -f 117 0A 51 -45,-1.2 -43,-1.4 -50,-0.0 2,-0.2 -0.986 24.4 -99.4-150.8 161.0 -1.1 16.5 21.3 162 168 A A E -f 118 0A 34 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.474 29.0-145.1 -78.4 147.6 2.2 16.6 23.2 163 169 A V E -f 119 0A 2 -45,-2.6 -43,-2.5 -2,-0.2 2,-0.3 -0.979 21.4-115.3-119.2 130.9 4.5 13.7 23.3 164 170 A D E +f 120 0A 89 -2,-0.5 -43,-0.2 -45,-0.2 3,-0.1 -0.458 40.1 160.6 -74.4 118.7 6.5 12.8 26.4 165 171 A F > + 0 0 0 -45,-2.7 3,-2.2 -2,-0.3 6,-0.2 -0.100 33.4 127.0-116.2 25.8 10.3 13.1 26.1 166 172 A S T 3 + 0 0 66 1,-0.3 4,-0.1 -46,-0.1 -45,-0.1 0.728 69.1 59.7 -61.6 -21.7 10.8 13.3 29.9 167 173 A D T 3 S+ 0 0 98 1,-0.2 2,-1.1 -3,-0.1 -1,-0.3 0.511 82.4 89.4 -84.1 -2.4 13.3 10.4 29.7 168 174 A H S X S- 0 0 32 -3,-2.2 3,-1.9 -47,-0.1 4,-0.4 -0.754 82.1-135.6-105.5 87.4 15.6 12.3 27.3 169 175 A K T 3 S- 0 0 181 -2,-1.1 -2,-0.1 1,-0.3 -3,-0.1 -0.192 70.7 -27.9 -47.2 107.5 17.9 14.1 29.7 170 176 A D T > S+ 0 0 92 -49,-0.2 3,-0.9 -2,-0.1 -1,-0.3 0.663 94.2 132.0 57.7 24.3 18.6 17.7 28.8 171 177 A A T < S+ 0 0 10 -3,-1.9 -73,-0.3 1,-0.2 -2,-0.1 0.745 72.2 48.2 -76.1 -18.3 18.0 16.9 25.1 172 178 A F T 3 S+ 0 0 7 -4,-0.4 -1,-0.2 -7,-0.1 -51,-0.1 0.126 73.9 142.3-113.0 20.3 15.7 19.9 24.8 173 179 A V < - 0 0 20 -3,-0.9 2,-0.5 -77,-0.1 -75,-0.4 -0.378 41.8-145.3 -52.5 130.4 17.8 22.6 26.4 174 180 A N - 0 0 45 -78,-0.2 2,-1.2 -77,-0.1 -78,-0.2 -0.939 5.1-139.7-108.3 130.2 17.3 25.8 24.5 175 181 A V + 0 0 1 -80,-2.8 -146,-0.0 -2,-0.5 -156,-0.0 -0.750 30.3 168.9 -87.9 95.5 20.3 28.1 24.2 176 182 A N + 0 0 91 -2,-1.2 -1,-0.2 1,-0.1 -157,-0.1 0.813 59.2 5.2 -76.4 -38.0 18.6 31.4 24.7 177 183 A T S > S- 0 0 50 -3,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.921 76.8 -96.3-141.5 168.6 21.7 33.5 25.1 178 184 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.888 122.4 54.2 -52.8 -38.3 25.5 33.7 25.0 179 185 A E H > S+ 0 0 138 2,-0.2 4,-1.1 1,-0.2 -4,-0.0 0.900 107.5 46.6 -66.8 -45.1 25.6 33.2 28.7 180 186 A E H >> S+ 0 0 49 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.942 108.5 59.1 -63.8 -40.2 23.4 30.0 28.7 181 187 A L H >X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.3 3,-1.5 0.919 100.5 55.2 -53.9 -40.6 25.7 28.8 25.9 182 188 A A H 3< S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.828 98.4 60.8 -66.1 -27.7 28.7 29.1 28.2 183 189 A R H << S+ 0 0 176 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.718 114.7 37.9 -66.8 -19.2 26.9 26.8 30.7 184 190 A W H << S+ 0 0 61 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.2 0.625 82.7 119.9-104.1 -22.2 27.0 24.2 28.0 185 191 A Q < 0 0 86 -4,-1.6 -161,-0.1 1,-0.2 -3,-0.0 -0.205 360.0 360.0 -50.4 139.7 30.3 24.7 26.2 186 192 A E 0 0 205 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.080 360.0 360.0 -40.3 360.0 32.5 21.6 26.4