==== 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 TRANSFERASE 24-JUL-02 1M8F . COMPND 2 MOLECULE: NICOTINAMIDE-NUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR V.SARIDAKIS,E.F.PAI . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 1 0.6 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 0 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A M 0 0 121 0, 0.0 27,-2.1 0, 0.0 28,-1.6 0.000 360.0 360.0 360.0 108.7 8.8 24.7 30.3 2 5 A R E -a 29 0A 58 26,-0.2 94,-2.5 25,-0.2 95,-1.5 -0.951 360.0-160.8-119.2 132.3 12.4 23.4 30.8 3 6 A G E -ab 30 97A 0 26,-2.9 28,-2.7 -2,-0.4 2,-0.4 -0.607 8.2-140.8-104.6 169.1 14.4 23.7 34.0 4 7 A L E +ab 31 98A 1 93,-1.7 95,-2.9 26,-0.2 2,-0.4 -0.996 17.2 177.6-135.4 129.4 18.1 23.5 34.6 5 8 A L E -ab 32 99A 17 26,-2.9 28,-3.3 -2,-0.4 2,-0.4 -0.993 7.7-167.4-129.7 137.4 20.0 21.8 37.5 6 9 A V E +a 33 0A 22 93,-0.5 2,-0.3 -2,-0.4 28,-0.2 -0.990 16.4 152.5-129.4 132.2 23.8 21.6 37.8 7 10 A G E -a 34 0A 16 26,-2.6 28,-2.0 -2,-0.4 -2,-0.0 -0.999 50.5-127.7-156.4 154.0 25.8 19.5 40.2 8 11 A A - 0 0 41 -2,-0.3 -1,-0.1 26,-0.2 4,-0.1 0.859 37.4-157.5 -66.6 -33.0 29.1 17.7 40.7 9 12 A M > - 0 0 2 2,-0.2 3,-0.6 1,-0.2 46,-0.1 0.933 15.8-178.0 53.1 51.7 27.1 14.6 41.5 10 13 A Q T 3 S- 0 0 3 1,-0.6 123,-0.2 34,-0.1 -1,-0.2 -0.644 85.3 -11.5-114.0 73.5 30.1 13.2 43.4 11 14 A P T 3 S- 0 0 0 0, 0.0 2,-0.6 0, 0.0 -1,-0.6 0.642 92.5-113.0 -99.0-175.9 28.3 10.8 43.9 12 15 A F < - 0 0 0 -3,-0.6 2,-0.2 -2,-0.1 138,-0.1 -0.607 48.1-176.4 -73.1 114.6 24.6 11.1 43.0 13 16 A H >> - 0 0 11 -2,-0.6 4,-2.0 133,-0.2 3,-0.6 -0.509 42.9 -92.2-111.0 178.8 22.8 10.9 46.4 14 17 A R H 3> S+ 0 0 67 131,-2.9 4,-2.8 1,-0.2 5,-0.2 0.801 121.1 63.4 -58.6 -29.4 19.2 10.8 47.8 15 18 A G H 3> S+ 0 0 10 130,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.925 105.5 44.7 -60.9 -44.3 19.4 14.6 48.1 16 19 A H H <> S+ 0 0 33 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.942 113.8 49.2 -63.6 -49.9 19.7 15.0 44.4 17 20 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.939 111.3 49.5 -55.6 -51.0 17.0 12.4 43.6 18 21 A Q H X S+ 0 0 64 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.928 114.1 44.2 -55.2 -50.9 14.5 14.0 46.0 19 22 A V H X S+ 0 0 22 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.837 111.3 54.9 -66.2 -32.8 15.1 17.5 44.6 20 23 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.918 107.9 47.6 -67.5 -42.9 14.9 16.3 41.1 21 24 A K H < S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.4 52.5 -64.0 -36.8 11.5 14.6 41.6 22 25 A S H >< S+ 0 0 32 -4,-1.8 3,-1.4 -5,-0.2 4,-0.3 0.911 108.8 46.9 -64.6 -46.2 10.3 17.8 43.2 23 26 A I H >X S+ 0 0 2 -4,-2.3 3,-2.2 1,-0.3 4,-1.0 0.864 101.6 67.2 -65.2 -35.6 11.4 20.1 40.3 24 27 A L T 3< S+ 0 0 13 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.511 89.8 66.4 -64.8 -1.9 9.8 17.7 37.9 25 28 A E T <4 S+ 0 0 165 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.632 111.0 31.5 -93.0 -15.9 6.4 18.7 39.4 26 29 A E T <4 S+ 0 0 114 -3,-2.2 2,-0.3 -4,-0.3 -2,-0.2 0.421 116.4 55.4-120.3 -0.3 6.7 22.3 38.1 27 30 A V < - 0 0 5 -4,-1.0 -25,-0.2 1,-0.1 3,-0.1 -0.946 67.5-139.4-130.2 152.5 8.7 21.8 34.8 28 31 A D S S+ 0 0 107 -27,-2.1 2,-0.3 -2,-0.3 -26,-0.2 0.880 91.0 10.9 -76.6 -39.4 8.0 19.7 31.8 29 32 A E E -a 2 0A 53 -28,-1.6 -26,-2.9 2,-0.0 2,-0.5 -0.983 66.4-148.4-139.9 150.7 11.7 18.7 31.4 30 33 A L E -ac 3 70A 0 39,-2.5 41,-1.8 -2,-0.3 2,-0.7 -0.983 7.9-149.1-123.6 125.2 14.8 19.1 33.5 31 34 A I E -ac 4 71A 0 -28,-2.7 -26,-2.9 -2,-0.5 2,-0.7 -0.857 16.8-161.2 -90.9 116.4 18.2 19.5 32.1 32 35 A I E -ac 5 72A 0 39,-3.8 41,-1.9 -2,-0.7 2,-0.5 -0.879 3.7-160.5-104.8 104.6 20.6 17.9 34.6 33 36 A C E -ac 6 73A 0 -28,-3.3 -26,-2.6 -2,-0.7 2,-1.1 -0.734 10.0-147.1 -89.2 125.5 24.2 19.1 34.1 34 37 A I E -ac 7 74A 0 39,-1.4 41,-2.7 -2,-0.5 3,-0.3 -0.783 26.5-152.8 -90.1 101.1 27.0 17.0 35.5 35 38 A G + 0 0 6 -28,-2.0 41,-0.2 -2,-1.1 42,-0.1 -0.095 68.8 31.8 -69.7 169.9 29.6 19.6 36.4 36 39 A S > + 0 0 18 39,-0.4 3,-1.1 1,-0.1 40,-0.2 0.877 68.1 167.3 50.2 42.7 33.3 19.1 36.7 37 40 A A T 3 S+ 0 0 18 38,-1.5 12,-0.6 -3,-0.3 39,-0.2 0.616 70.9 53.0 -62.9 -12.2 33.1 16.5 33.9 38 41 A Q T 3 S+ 0 0 81 37,-0.2 -1,-0.2 10,-0.1 2,-0.2 0.658 92.4 86.9 -97.8 -16.7 36.9 16.6 33.5 39 42 A L < + 0 0 65 -3,-1.1 2,-0.3 8,-0.1 10,-0.1 -0.580 47.2 141.8 -87.0 146.4 37.8 16.0 37.1 40 43 A S + 0 0 43 -2,-0.2 7,-0.2 8,-0.1 3,-0.1 -0.942 46.8 42.7-172.4 158.0 38.2 12.5 38.6 41 44 A H S S+ 0 0 92 5,-1.5 2,-0.3 -2,-0.3 6,-0.1 0.862 82.9 109.1 64.2 41.7 40.4 10.6 41.1 42 45 A S S S- 0 0 47 3,-0.8 -1,-0.3 1,-0.1 125,-0.1 -0.877 81.9-108.6-134.3 166.6 40.6 13.3 43.8 43 46 A I S S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.895 121.5 42.0 -65.9 -36.0 39.0 13.4 47.3 44 47 A R S S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 89,-0.1 0.911 130.2 24.3 -76.4 -44.4 36.6 16.1 46.1 45 48 A D S S+ 0 0 11 1,-0.1 -3,-0.8 -5,-0.1 -1,-0.3 -0.700 70.3 158.2-123.8 79.9 35.8 14.6 42.6 46 49 A P + 0 0 0 0, 0.0 -5,-1.5 0, 0.0 2,-0.3 0.858 55.2 63.4 -71.6 -35.4 36.4 10.8 42.9 47 50 A F S S- 0 0 0 -7,-0.2 -8,-0.1 -6,-0.1 -5,-0.0 -0.691 79.3-120.6-100.1 146.1 34.3 9.6 40.0 48 51 A T > - 0 0 43 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.179 29.9-109.8 -70.0 169.1 34.6 10.3 36.2 49 52 A A H > S+ 0 0 15 -12,-0.6 4,-1.8 2,-0.2 5,-0.2 0.901 119.9 56.0 -66.8 -40.0 31.8 12.0 34.3 50 53 A G H > S+ 0 0 49 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 108.7 46.5 -58.6 -42.4 31.2 8.7 32.5 51 54 A E H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.915 111.2 50.9 -67.5 -43.7 30.7 6.9 35.8 52 55 A R H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.761 104.7 58.8 -66.1 -24.2 28.4 9.6 37.2 53 56 A V H X S+ 0 0 40 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.872 105.6 49.3 -70.1 -36.9 26.3 9.4 33.9 54 57 A M H X S+ 0 0 83 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.847 109.2 52.8 -69.9 -34.1 25.7 5.7 34.8 55 58 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.945 111.9 43.2 -66.4 -50.2 24.7 6.6 38.3 56 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.4 0.895 114.9 51.6 -63.2 -39.2 22.1 9.2 37.2 57 60 A T H X S+ 0 0 47 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.949 114.4 41.0 -62.8 -50.8 20.8 6.8 34.5 58 61 A K H X S+ 0 0 74 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.973 118.0 46.6 -61.8 -55.6 20.4 3.9 36.9 59 62 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.914 116.4 41.5 -54.0 -53.9 18.9 5.9 39.7 60 63 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.3 -1,-0.2 0.884 116.9 49.9 -64.8 -37.8 16.4 7.9 37.7 61 64 A S H ><5S+ 0 0 79 -4,-1.8 3,-1.8 -5,-0.4 -2,-0.2 0.944 108.6 51.4 -65.2 -48.0 15.4 4.9 35.7 62 65 A E H 3<5S+ 0 0 137 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 105.7 58.2 -61.0 -24.2 14.9 2.7 38.8 63 66 A N T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.230 115.4-113.1 -92.8 13.8 12.6 5.5 40.2 64 67 A G T < 5 + 0 0 59 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.491 64.6 147.9 71.8 3.4 10.2 5.3 37.2 65 68 A I < - 0 0 19 -5,-1.6 -1,-0.2 1,-0.1 -2,-0.1 -0.617 55.2-116.0 -73.9 115.4 11.1 8.8 35.9 66 69 A P > - 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.263 15.8-130.8 -53.0 134.1 10.6 8.6 32.1 67 70 A A G > S+ 0 0 68 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.709 103.2 66.9 -60.5 -22.2 14.0 9.2 30.4 68 71 A S G 3 S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.528 86.4 70.7 -78.6 -4.8 12.4 11.7 28.1 69 72 A R G < S+ 0 0 72 -3,-1.9 -39,-2.5 -40,-0.1 2,-0.3 0.454 103.7 33.2 -90.4 -0.4 11.7 14.1 30.9 70 73 A Y E < -c 30 0A 28 -3,-1.0 2,-0.4 -41,-0.2 -39,-0.2 -0.957 61.4-137.3-151.0 168.3 15.4 15.0 31.4 71 74 A Y E -c 31 0A 72 -41,-1.8 -39,-3.8 -2,-0.3 2,-0.8 -0.998 9.4-157.3-130.0 128.3 18.8 15.6 29.9 72 75 A I E +c 32 0A 38 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.921 25.7 169.5-105.5 105.3 22.1 14.3 31.4 73 76 A I E -c 33 0A 35 -41,-1.9 -39,-1.4 -2,-0.8 2,-0.2 -0.942 27.0-141.9-124.6 112.7 24.8 16.6 30.0 74 77 A P E -c 34 0A 57 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.497 19.4-168.2 -70.5 134.8 28.4 16.5 31.3 75 78 A V - 0 0 1 -41,-2.7 -38,-1.5 -2,-0.2 -39,-0.4 -0.972 14.0-138.8-130.3 119.8 29.9 20.0 31.4 76 79 A Q - 0 0 118 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.366 28.6-111.8 -69.6 151.9 33.6 20.6 32.0 77 80 A D - 0 0 64 -42,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.393 31.3-150.0 -78.5 165.0 34.5 23.5 34.3 78 81 A I - 0 0 58 -2,-0.1 6,-0.1 1,-0.1 5,-0.0 -0.969 22.0-120.7-137.0 153.7 36.2 26.5 32.9 79 82 A E S S+ 0 0 194 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 0.798 95.1 70.5 -61.1 -33.9 38.6 29.1 34.3 80 83 A C >> - 0 0 56 1,-0.2 3,-1.7 2,-0.0 4,-0.7 -0.774 55.2-171.8 -97.1 106.0 36.3 32.1 33.7 81 84 A N H >> S+ 0 0 86 -2,-0.8 3,-0.6 1,-0.3 4,-0.5 0.796 88.4 64.8 -60.3 -26.7 33.3 32.3 36.0 82 85 A A H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.699 108.0 38.9 -70.0 -19.8 32.1 35.2 33.7 83 86 A L H <> S+ 0 0 110 -3,-1.7 4,-2.2 2,-0.1 -1,-0.2 0.411 91.4 92.7-107.4 -1.0 31.8 32.8 30.8 84 87 A W H S+ 0 0 40 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 107.9 56.8 -61.7 -37.6 27.5 31.0 28.4 87 90 A H H X S+ 0 0 30 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.921 108.9 46.0 -58.5 -46.9 29.4 27.8 28.6 88 91 A I H >X S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.7 0.951 112.1 49.7 -61.0 -54.2 26.3 26.0 29.9 89 92 A K H >< S+ 0 0 89 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.859 105.7 58.3 -55.0 -38.9 23.9 27.5 27.4 90 93 A M H 3< S+ 0 0 136 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.787 112.9 39.0 -62.5 -28.7 26.3 26.5 24.5 91 94 A L H << S+ 0 0 69 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.399 111.9 64.5-103.6 1.2 26.0 22.9 25.5 92 95 A T S << S- 0 0 20 -3,-0.8 3,-0.1 -4,-0.7 -61,-0.0 -0.809 80.5-103.6-129.3 165.5 22.3 22.7 26.4 93 96 A P - 0 0 31 0, 0.0 -2,-0.1 0, 0.0 -62,-0.1 -0.371 65.4 -75.5 -73.6 163.9 18.8 22.9 25.0 94 97 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -91,-0.0 -0.227 54.9-168.2 -60.8 154.4 17.1 26.2 25.9 95 98 A F - 0 0 12 -3,-0.1 -92,-0.2 1,-0.1 3,-0.1 -0.996 23.5-162.3-146.6 148.2 15.8 26.6 29.5 96 99 A D S S+ 0 0 92 -94,-2.5 19,-0.5 -2,-0.3 2,-0.4 0.688 74.9 37.9-102.7 -24.5 13.5 29.0 31.4 97 100 A R E -bd 3 115A 58 -95,-1.5 -93,-1.7 17,-0.1 2,-0.5 -0.990 61.0-149.8-137.3 141.8 14.3 28.4 35.0 98 101 A V E -bd 4 116A 1 17,-2.4 19,-2.7 -2,-0.4 2,-0.6 -0.928 9.2-162.6-111.0 126.0 17.5 27.6 37.0 99 102 A Y E +bd 5 117A 2 -95,-2.9 -93,-0.5 -2,-0.5 2,-0.3 -0.933 28.6 144.2-109.8 114.7 17.3 25.5 40.2 100 103 A S - 0 0 7 17,-1.8 -93,-0.1 -2,-0.6 -2,-0.1 -0.993 42.4-171.1-154.9 146.6 20.3 25.8 42.5 101 104 A G + 0 0 53 -2,-0.3 17,-0.1 17,-0.1 -1,-0.1 0.295 66.9 105.1-111.3 3.2 21.3 25.8 46.1 102 105 A N > - 0 0 81 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.791 65.7-145.9 -91.7 113.9 24.9 26.8 45.2 103 106 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.848 97.7 45.3 -42.8 -52.4 25.7 30.5 45.9 104 107 A L H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 114.6 47.9 -62.3 -47.8 28.1 31.0 42.9 105 108 A V H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.952 112.6 49.5 -58.5 -49.4 25.7 29.2 40.5 106 109 A Q H X S+ 0 0 54 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.907 113.7 45.9 -55.9 -45.9 22.8 31.2 41.7 107 110 A R H X S+ 0 0 151 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.852 109.5 52.3 -68.9 -38.8 24.7 34.5 41.4 108 111 A L H X S+ 0 0 27 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.860 116.9 39.2 -68.6 -35.4 26.1 33.9 37.9 109 112 A F H X>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.2 4,-0.8 0.842 113.3 56.2 -80.1 -34.1 22.7 33.1 36.4 110 113 A S H ><5S+ 0 0 60 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.919 109.4 46.2 -61.4 -44.8 21.0 35.8 38.4 111 114 A E H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 107.3 57.2 -69.5 -30.0 23.4 38.4 37.0 112 115 A D H 3<5S- 0 0 82 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.670 125.5 -99.6 -75.7 -14.4 22.9 37.0 33.4 113 116 A G T <<5S+ 0 0 65 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.615 75.8 136.7 107.5 15.9 19.2 37.6 33.8 114 117 A Y < - 0 0 47 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.3 -0.708 57.8-117.4 -97.1 148.1 17.8 34.2 34.6 115 118 A E E -d 97 0A 129 -19,-0.5 -17,-2.4 -2,-0.3 2,-0.4 -0.722 38.3-170.5 -80.7 122.1 15.2 33.4 37.2 116 119 A V E -d 98 0A 38 -2,-0.6 2,-0.4 -19,-0.2 -17,-0.2 -0.946 6.8-168.9-119.0 140.1 16.9 31.2 39.8 117 120 A T E -d 99 0A 34 -19,-2.7 -17,-1.8 -2,-0.4 -2,-0.0 -0.992 16.5-143.7-132.0 137.1 15.2 29.4 42.6 118 121 A A - 0 0 62 -2,-0.4 -17,-0.1 -19,-0.2 3,-0.1 -0.862 24.5-146.6-102.2 102.3 16.6 27.5 45.6 119 122 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -100,-0.1 -0.130 33.2 -82.4 -62.1 159.0 14.5 24.4 46.4 120 123 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -19,-0.0 -0.423 50.7-120.8 -65.0 136.9 14.0 23.2 50.0 121 124 A L - 0 0 119 -3,-0.1 2,-0.6 -2,-0.1 3,-0.2 -0.540 14.4-138.4 -81.9 146.3 17.0 21.0 51.1 122 125 A F S S- 0 0 62 1,-0.2 5,-0.3 -2,-0.2 4,-0.1 -0.917 76.9 -32.1-107.2 113.1 16.4 17.4 52.2 123 126 A Y S >> S- 0 0 147 -2,-0.6 4,-3.4 1,-0.2 3,-2.1 0.925 71.8-170.3 41.8 63.7 18.5 16.4 55.2 124 127 A R T 34 S+ 0 0 157 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.619 79.4 58.6 -59.4 -14.4 21.3 18.8 54.3 125 128 A D T 34 S+ 0 0 117 1,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.598 120.8 24.4 -91.5 -10.4 23.5 17.4 57.0 126 129 A R T <4 S+ 0 0 86 -3,-2.1 2,-1.4 -4,-0.1 -2,-0.2 0.700 112.2 65.4-118.0 -42.0 23.3 13.8 55.5 127 130 A Y S < S+ 0 0 28 -4,-3.4 2,-0.3 -5,-0.3 -5,-0.2 -0.591 76.8 104.7 -89.7 78.1 22.5 14.3 51.8 128 131 A S S > S- 0 0 35 -2,-1.4 4,-2.3 -3,-0.1 5,-0.2 -0.982 74.5-122.7-151.0 145.4 25.7 16.0 50.5 129 132 A G H > S+ 0 0 14 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.899 111.8 58.4 -56.5 -40.9 28.6 14.7 48.5 130 133 A T H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 108.7 42.8 -55.4 -50.9 30.9 15.8 51.2 131 134 A E H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 114.3 51.0 -63.6 -45.5 29.3 13.7 53.9 132 135 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.954 111.9 46.6 -56.4 -52.3 28.9 10.7 51.6 133 136 A R H X S+ 0 0 23 -4,-3.0 4,-1.4 -123,-0.2 -1,-0.2 0.826 111.2 53.1 -60.9 -32.9 32.6 10.8 50.6 134 137 A R H X S+ 0 0 111 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.876 109.4 47.8 -70.0 -38.6 33.6 11.2 54.2 135 138 A R H <>S+ 0 0 50 -4,-2.2 5,-2.6 2,-0.2 4,-0.3 0.860 108.1 55.0 -70.0 -35.5 31.6 8.1 55.2 136 139 A M H <5S+ 0 0 1 -4,-2.2 3,-0.3 3,-0.2 -1,-0.2 0.867 114.4 41.8 -64.0 -36.2 33.1 6.1 52.4 137 140 A L H <5S+ 0 0 40 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 120.6 38.9 -76.7 -46.4 36.6 6.9 53.6 138 141 A D T <5S- 0 0 118 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.120 113.2-109.1 -95.5 21.7 36.0 6.5 57.4 139 142 A D T 5 + 0 0 118 -4,-0.3 -3,-0.2 -3,-0.3 -4,-0.1 0.815 67.7 147.6 56.8 37.1 33.8 3.4 57.1 140 143 A G < - 0 0 34 -5,-2.6 2,-1.4 -6,-0.2 3,-0.3 -0.175 65.2 -75.4 -86.6-172.4 30.5 5.2 58.1 141 144 A D + 0 0 93 1,-0.2 -5,-0.1 2,-0.1 -6,-0.1 -0.692 66.8 148.8 -89.9 90.3 27.1 4.3 56.7 142 145 A W >> + 0 0 11 -2,-1.4 3,-1.7 -7,-0.2 4,-0.5 0.741 59.2 71.4 -91.4 -27.5 27.3 5.8 53.2 143 146 A R G >4 S+ 0 0 117 1,-0.3 3,-1.0 -3,-0.3 -1,-0.1 0.821 91.4 60.6 -59.2 -31.3 25.0 3.3 51.6 144 147 A S G 34 S+ 0 0 40 1,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.635 99.8 56.8 -72.0 -13.0 22.0 4.8 53.4 145 148 A L G <4 S+ 0 0 0 -3,-1.7 -131,-2.9 2,-0.1 -130,-0.3 0.568 103.2 63.6 -92.9 -11.1 22.6 8.1 51.7 146 149 A L S << S- 0 0 0 -3,-1.0 -133,-0.2 -4,-0.5 2,-0.0 -0.849 88.9-103.1-120.8 152.1 22.4 6.8 48.2 147 150 A P >> - 0 0 4 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.407 42.0-112.8 -64.4 146.3 19.8 5.2 46.0 148 151 A E H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.814 116.4 57.3 -51.2 -35.4 20.3 1.4 45.8 149 152 A S H 3> S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.837 104.8 50.6 -67.2 -32.2 21.2 1.7 42.1 150 153 A V H <> S+ 0 0 0 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.888 107.3 53.9 -72.4 -37.9 24.0 4.1 42.8 151 154 A V H X S+ 0 0 9 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.909 107.5 52.2 -60.7 -40.9 25.4 1.8 45.5 152 155 A E H X S+ 0 0 103 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 110.5 46.5 -62.3 -44.1 25.5 -0.9 42.8 153 156 A V H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 6,-0.2 0.918 109.0 55.3 -64.1 -44.0 27.4 1.3 40.4 154 157 A I H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 6,-0.4 0.846 111.0 45.7 -58.0 -34.1 29.8 2.3 43.1 155 158 A D H ><5S+ 0 0 80 -4,-1.7 3,-0.6 3,-0.2 -1,-0.2 0.858 110.2 53.0 -77.7 -36.2 30.6 -1.4 43.7 156 159 A E H 3<5S+ 0 0 145 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.4 40.0 -68.2 -32.7 30.9 -2.2 40.1 157 160 A I T 3<5S- 0 0 40 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.392 109.4-121.7 -96.4 3.0 33.5 0.5 39.5 158 161 A N T <>5 + 0 0 85 -3,-0.6 4,-2.3 -4,-0.2 -3,-0.2 0.852 51.3 163.0 60.3 37.6 35.3 -0.1 42.8 159 162 A G H >< + 0 0 0 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 0.872 69.9 47.3 -54.3 -46.7 34.6 3.4 43.9 160 163 A V H > S+ 0 0 27 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.902 111.2 53.1 -65.0 -39.3 35.3 2.9 47.6 161 164 A E H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 113.1 44.1 -60.4 -43.7 38.5 1.0 46.8 162 165 A R H X S+ 0 0 46 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.947 113.4 48.3 -66.7 -52.0 39.7 3.9 44.7 163 166 A I H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.881 113.6 48.2 -58.9 -40.2 38.8 6.7 47.1 164 167 A K H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 111.1 50.1 -69.2 -39.5 40.4 4.9 50.0 165 168 A H H < S+ 0 0 161 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.959 108.6 51.9 -63.0 -50.8 43.6 4.2 48.0 166 169 A L H < 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 360.0 360.0 -55.7 -30.9 44.0 7.8 46.9 167 170 A A < 0 0 88 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.741 360.0 360.0 -76.7 360.0 43.6 9.0 50.6