==== 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 25-JUL-02 1M8J . 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) . 8670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 70.1 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 . 0 0.0 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 . 11 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 34.1 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 2 3 1 0 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 0 118 0, 0.0 27,-1.5 0, 0.0 28,-1.4 0.000 360.0 360.0 360.0 111.0 10.4 25.3 30.0 2 5 A R E -a 29 0A 63 26,-0.2 94,-2.9 25,-0.2 95,-1.1 -0.970 360.0-164.4-122.7 125.2 13.9 24.0 30.4 3 6 A G E -ab 30 97A 0 26,-2.5 28,-2.6 -2,-0.5 2,-0.4 -0.536 10.4-136.9-100.6 170.5 16.0 24.4 33.6 4 7 A L E -ab 31 98A 0 93,-1.9 95,-3.0 26,-0.2 2,-0.5 -0.989 13.5-172.7-133.8 127.4 19.7 24.1 34.1 5 8 A L E -ab 32 99A 14 26,-3.4 28,-3.0 -2,-0.4 2,-0.5 -0.973 7.1-163.5-118.9 128.8 21.5 22.3 37.0 6 9 A V E +a 33 0A 23 93,-0.9 2,-0.3 -2,-0.5 28,-0.2 -0.955 23.8 144.2-115.4 125.9 25.3 22.6 37.4 7 10 A G E -a 34 0A 14 26,-2.5 28,-1.8 -2,-0.5 -2,-0.0 -0.995 51.0-135.7-158.3 151.8 27.3 20.2 39.6 8 11 A R - 0 0 69 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.829 33.0-156.1 -74.8 -31.8 30.5 18.3 39.9 9 12 A M > - 0 0 1 2,-0.2 3,-0.6 1,-0.2 46,-0.1 0.929 14.3-174.9 54.1 50.3 28.7 15.1 41.0 10 13 A Q T 3 S- 0 0 9 1,-0.6 123,-0.2 34,-0.1 -1,-0.2 -0.678 87.7 -9.6-110.7 75.8 31.8 13.8 42.8 11 14 A P T 3 S- 0 0 4 0, 0.0 2,-0.7 0, 0.0 -1,-0.6 0.667 92.7-115.2-101.2-175.6 30.0 11.5 43.2 12 15 A F < + 0 0 0 -3,-0.6 2,-0.2 -4,-0.1 138,-0.1 -0.628 49.6 178.4 -74.8 114.9 26.3 11.7 42.3 13 16 A H > - 0 0 10 -2,-0.7 4,-2.0 133,-0.2 3,-0.5 -0.618 45.9 -89.8-117.0 176.1 24.5 11.3 45.7 14 17 A R H > S+ 0 0 76 131,-2.3 4,-2.3 1,-0.3 5,-0.2 0.762 123.2 58.7 -53.5 -29.6 21.1 11.2 47.2 15 18 A G H > S+ 0 0 12 130,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.959 107.6 45.4 -65.7 -48.1 21.3 15.0 47.8 16 19 A H H > S+ 0 0 43 -3,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.861 113.7 51.8 -61.0 -37.5 21.8 15.6 44.0 17 20 A L H X S+ 0 0 6 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.916 107.2 48.6 -69.3 -45.4 19.0 13.1 43.2 18 21 A Q H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.936 113.1 48.6 -62.2 -44.7 16.3 14.6 45.5 19 22 A V H X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.889 107.7 53.9 -63.8 -38.0 17.0 18.1 44.1 20 23 A I H X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.851 109.9 50.6 -63.6 -30.5 16.9 16.9 40.5 21 24 A K H < S+ 0 0 86 -4,-1.6 4,-0.5 -3,-0.2 -2,-0.2 0.904 107.8 50.4 -72.8 -42.3 13.5 15.5 41.5 22 25 A S H >< S+ 0 0 37 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.918 111.1 50.3 -60.5 -43.7 12.2 18.8 42.9 23 26 A I H >X S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.3 4,-0.6 0.844 101.8 60.1 -64.3 -36.3 13.3 20.6 39.8 24 27 A L T 3< S+ 0 0 17 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.611 95.6 66.2 -69.7 -8.5 11.5 18.2 37.5 25 28 A E T <4 S+ 0 0 168 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.725 112.7 28.8 -82.0 -24.6 8.3 19.1 39.2 26 29 A E T <4 S+ 0 0 106 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.266 118.1 57.1-119.8 9.4 8.4 22.7 37.9 27 30 A V < - 0 0 6 -4,-0.6 -25,-0.2 1,-0.1 3,-0.1 -0.996 66.7-139.6-142.5 145.9 10.3 22.3 34.6 28 31 A D S S+ 0 0 103 -27,-1.5 2,-0.3 -2,-0.3 -26,-0.2 0.892 89.7 7.8 -69.4 -43.4 9.7 20.2 31.5 29 32 A E E -a 2 0A 49 -28,-1.4 -26,-2.5 -6,-0.1 2,-0.4 -0.968 65.9-145.5-139.4 155.7 13.3 19.2 31.1 30 33 A L E -ac 3 70A 0 39,-2.4 41,-1.7 -2,-0.3 2,-0.7 -0.985 7.1-147.7-127.9 128.4 16.5 19.6 33.0 31 34 A I E -ac 4 71A 0 -28,-2.6 -26,-3.4 -2,-0.4 2,-0.8 -0.841 16.9-160.4 -91.4 118.6 20.0 20.2 31.6 32 35 A I E -ac 5 72A 0 39,-3.6 41,-2.1 -2,-0.7 2,-0.6 -0.874 3.8-163.8-106.0 106.3 22.4 18.6 33.9 33 36 A C E -ac 6 73A 0 -28,-3.0 -26,-2.5 -2,-0.8 2,-1.2 -0.799 11.7-148.3 -92.4 118.3 25.9 19.9 33.5 34 37 A I E -ac 7 74A 0 39,-1.3 41,-2.9 -2,-0.6 3,-0.3 -0.739 28.0-155.1 -83.8 100.2 28.7 17.8 35.0 35 38 A G + 0 0 8 -28,-1.8 41,-0.2 -2,-1.2 4,-0.1 -0.151 67.0 30.8 -72.0 171.2 31.2 20.6 35.8 36 39 A S > + 0 0 10 39,-0.3 3,-1.5 1,-0.1 40,-0.2 0.884 70.0 166.2 45.6 46.0 34.9 20.3 36.2 37 40 A A T 3 + 0 0 17 38,-1.8 12,-0.7 -3,-0.3 39,-0.2 0.638 67.1 59.9 -64.9 -15.0 34.8 17.6 33.6 38 41 A Q T 3 S+ 0 0 85 37,-0.2 2,-0.3 10,-0.1 -1,-0.3 0.570 90.1 88.7 -90.8 -8.8 38.6 17.7 33.2 39 42 A L < + 0 0 60 -3,-1.5 2,-0.3 -4,-0.1 10,-0.1 -0.685 47.0 135.7 -93.5 143.2 39.3 16.9 36.8 40 43 A S + 0 0 46 -2,-0.3 7,-0.2 8,-0.1 3,-0.1 -0.953 45.9 47.0-170.0 168.5 39.7 13.3 38.2 41 44 A H S S+ 0 0 91 5,-1.7 2,-0.3 -2,-0.3 6,-0.1 0.891 81.5 109.6 53.9 48.2 41.8 11.3 40.5 42 45 A S S S- 0 0 42 3,-0.5 -1,-0.2 1,-0.1 125,-0.1 -0.958 80.0-114.5-142.5 153.0 41.9 13.7 43.4 43 46 A I S S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.2 90,-0.1 0.865 120.2 44.3 -58.6 -35.1 40.2 13.3 46.8 44 47 A R S S+ 0 0 153 1,-0.3 -1,-0.2 -4,-0.1 -34,-0.1 0.869 132.8 18.6 -77.2 -36.7 37.9 16.3 45.9 45 48 A D S S+ 0 0 3 1,-0.1 -3,-0.5 -5,-0.1 -1,-0.3 -0.711 73.3 155.3-136.4 80.8 37.2 15.1 42.3 46 49 A P + 0 0 3 0, 0.0 -5,-1.7 0, 0.0 2,-0.3 0.779 51.0 69.8 -81.2 -28.3 38.0 11.4 42.0 47 50 A F S S- 0 0 1 -7,-0.2 -8,-0.1 -6,-0.1 2,-0.0 -0.682 76.5-121.4 -99.5 148.8 35.9 10.3 39.1 48 51 A T > - 0 0 43 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.313 31.3-106.6 -75.7 165.1 36.2 11.1 35.4 49 52 A A H > S+ 0 0 17 -12,-0.7 4,-2.1 1,-0.2 5,-0.1 0.910 121.4 52.5 -57.5 -45.7 33.4 12.8 33.5 50 53 A G H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 108.7 48.3 -58.7 -44.6 32.6 9.6 31.7 51 54 A E H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 111.9 50.2 -63.8 -41.1 32.3 7.7 35.0 52 55 A R H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.837 104.0 59.5 -65.8 -32.1 30.1 10.4 36.3 53 56 A V H X S+ 0 0 40 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.928 106.9 47.1 -60.7 -43.2 28.0 10.1 33.1 54 57 A M H X S+ 0 0 82 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.916 108.6 55.0 -64.1 -43.8 27.3 6.5 34.0 55 58 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.953 113.1 40.5 -55.3 -53.9 26.4 7.3 37.6 56 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.905 114.4 54.0 -62.9 -40.9 23.7 9.8 36.6 57 60 A T H X S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.940 114.3 38.8 -59.9 -50.8 22.5 7.6 33.8 58 61 A K H X S+ 0 0 85 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.938 118.7 48.8 -66.7 -46.2 21.9 4.6 36.0 59 62 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 6,-0.2 0.976 115.3 41.2 -57.3 -62.1 20.6 6.5 38.9 60 63 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -1,-0.2 0.889 119.2 47.4 -53.3 -44.0 18.1 8.7 37.0 61 64 A S H ><5S+ 0 0 78 -4,-1.9 3,-1.6 -5,-0.4 -1,-0.2 0.905 110.4 49.9 -66.2 -44.3 17.0 5.7 34.9 62 65 A E H 3<5S+ 0 0 113 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 106.8 59.2 -67.0 -22.0 16.7 3.3 37.9 63 66 A N T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.237 117.9-112.2 -91.3 13.0 14.6 6.1 39.5 64 67 A G T < 5 + 0 0 62 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.601 67.2 146.8 69.2 12.1 12.1 6.0 36.7 65 68 A I < - 0 0 19 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.742 53.5-118.1 -83.4 114.7 13.0 9.5 35.4 66 69 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.206 10.4-130.8 -53.8 138.4 12.5 9.3 31.6 67 70 A A G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.809 104.0 65.8 -60.3 -33.4 15.7 9.9 29.5 68 71 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -39,-0.0 3,-0.0 0.532 90.4 67.5 -68.6 -6.7 13.8 12.5 27.4 69 72 A R G < S+ 0 0 75 -3,-1.7 -39,-2.4 -40,-0.1 2,-0.3 0.419 103.9 32.9 -96.0 3.4 13.5 14.8 30.4 70 73 A Y E < -c 30 0A 31 -3,-1.4 2,-0.4 -41,-0.2 -39,-0.2 -0.977 58.8-144.1-153.0 164.0 17.2 15.6 30.8 71 74 A Y E -c 31 0A 76 -41,-1.7 -39,-3.6 -2,-0.3 2,-0.7 -0.995 12.3-151.9-129.8 135.6 20.5 16.2 29.1 72 75 A I E +c 32 0A 36 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.922 23.0 173.1-111.4 107.8 23.8 15.2 30.6 73 76 A I E -c 33 0A 35 -41,-2.1 -39,-1.3 -2,-0.7 2,-0.1 -0.943 24.7-141.7-122.2 114.4 26.5 17.5 29.3 74 77 A P E -c 34 0A 56 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.461 20.7-168.0 -69.2 140.0 30.1 17.4 30.6 75 78 A V - 0 0 2 -41,-2.9 -38,-1.8 -2,-0.1 -39,-0.3 -0.958 10.8-146.9-138.1 117.5 31.7 20.8 30.9 76 79 A Q - 0 0 121 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.405 29.3-108.5 -75.6 156.2 35.4 21.5 31.5 77 80 A D - 0 0 66 -2,-0.1 2,-0.3 -42,-0.1 -1,-0.1 -0.430 29.3-152.0 -82.7 162.4 36.3 24.6 33.6 78 81 A I - 0 0 59 -2,-0.1 6,-0.1 1,-0.0 -42,-0.0 -0.902 23.8-115.7-130.4 162.3 37.9 27.7 32.1 79 82 A E S S+ 0 0 195 -2,-0.3 2,-0.7 1,-0.1 3,-0.1 0.743 94.8 70.0 -70.4 -26.4 40.2 30.3 33.5 80 83 A C >> - 0 0 65 1,-0.2 3,-1.6 2,-0.0 4,-0.9 -0.824 55.1-169.0-103.4 108.4 37.8 33.3 33.2 81 84 A N G >4 S+ 0 0 90 -2,-0.7 3,-0.7 1,-0.3 4,-0.5 0.844 88.5 68.1 -57.6 -30.2 34.8 33.3 35.5 82 85 A A G 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.756 106.7 35.7 -61.8 -27.9 33.6 36.2 33.3 83 86 A L G <> S+ 0 0 111 -3,-1.6 4,-2.4 1,-0.1 -1,-0.2 0.471 90.1 97.8-104.3 -4.9 33.1 34.0 30.3 84 87 A W H S+ 0 0 3 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.933 112.4 47.3 -65.5 -43.4 28.2 31.5 31.6 86 89 A G H > S+ 0 0 37 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.872 108.0 57.3 -62.8 -35.3 28.8 32.0 27.9 87 90 A H H X S+ 0 0 31 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.927 109.0 44.9 -60.6 -45.1 30.8 28.8 28.0 88 91 A I H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.947 112.3 51.6 -64.1 -48.1 27.8 26.9 29.3 89 92 A K H 3< S+ 0 0 84 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.861 105.9 55.3 -57.1 -37.9 25.4 28.5 26.9 90 93 A M H 3< S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.4 39.8 -64.8 -33.9 27.7 27.6 24.0 91 94 A L H << S+ 0 0 74 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.545 112.5 59.3 -95.0 -8.0 27.6 23.9 25.0 92 95 A T S < S- 0 0 18 -4,-1.3 3,-0.1 -3,-0.3 -61,-0.0 -0.643 82.4-101.5-120.2 173.0 24.0 23.5 26.0 93 96 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.403 63.2 -72.6 -81.5 170.3 20.4 23.9 24.6 94 97 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.274 56.7-173.3 -63.4 152.8 18.5 27.0 25.6 95 98 A F - 0 0 13 1,-0.1 -92,-0.2 -3,-0.1 3,-0.1 -0.997 26.5-161.5-149.8 151.5 17.2 27.3 29.2 96 99 A D S S+ 0 0 81 -94,-2.9 19,-0.6 -2,-0.3 2,-0.4 0.738 74.9 38.7-103.9 -30.6 15.1 29.6 31.2 97 100 A R E -bd 3 115A 65 -95,-1.1 -93,-1.9 17,-0.1 2,-0.5 -0.952 61.0-151.3-129.0 147.2 16.0 28.9 34.9 98 101 A V E -bd 4 116A 0 17,-2.1 19,-3.6 -2,-0.4 2,-0.5 -0.959 7.9-161.1-118.2 130.0 19.2 28.1 36.7 99 102 A Y E +bd 5 117A 2 -95,-3.0 -93,-0.9 -2,-0.5 2,-0.3 -0.940 30.2 131.4-113.8 123.2 19.3 26.0 39.9 100 103 A S - 0 0 5 17,-2.2 -93,-0.1 -2,-0.5 -2,-0.1 -0.970 45.1-159.1-166.4 150.1 22.3 26.1 42.1 101 104 A G + 0 0 54 -2,-0.3 17,-0.1 17,-0.2 -1,-0.1 0.300 69.0 108.3-110.2 2.6 23.4 26.5 45.8 102 105 A N > - 0 0 80 1,-0.1 4,-3.1 2,-0.0 5,-0.2 -0.739 63.5-148.6 -85.9 117.6 26.9 27.7 44.7 103 106 A P H > S+ 0 0 92 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.871 96.9 47.4 -51.9 -46.6 27.4 31.4 45.3 104 107 A L H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.950 113.5 48.0 -63.8 -48.6 29.7 31.9 42.3 105 108 A V H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.948 114.5 46.7 -57.1 -48.6 27.4 30.1 40.0 106 109 A Q H X S+ 0 0 50 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.934 114.3 46.5 -59.6 -48.7 24.4 32.0 41.2 107 110 A R H X S+ 0 0 154 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.930 111.4 50.8 -60.9 -48.5 26.1 35.4 41.0 108 111 A L H X S+ 0 0 21 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.903 113.9 43.9 -58.0 -44.6 27.6 34.8 37.5 109 112 A F H <>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.3 -1,-0.2 0.825 112.6 53.5 -72.1 -28.8 24.2 33.8 36.1 110 113 A S H ><5S+ 0 0 56 -4,-2.0 3,-3.4 -5,-0.2 -2,-0.2 0.977 106.1 51.0 -66.8 -54.6 22.5 36.7 37.9 111 114 A E H 3<5S+ 0 0 131 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.7 56.8 -50.9 -29.3 24.9 39.2 36.4 112 115 A D T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.401 123.7-105.3 -85.3 2.6 24.0 37.6 33.1 113 116 A G T < 5S+ 0 0 61 -3,-3.4 2,-0.3 1,-0.3 -3,-0.2 0.611 73.7 136.6 86.9 11.3 20.3 38.2 33.6 114 117 A Y < - 0 0 50 -5,-2.7 2,-0.4 -8,-0.1 -1,-0.3 -0.743 58.9-117.8 -95.9 142.8 19.2 34.7 34.4 115 118 A E E -d 97 0A 120 -19,-0.6 -17,-2.1 -2,-0.3 2,-0.5 -0.629 35.2-157.6 -74.2 125.6 16.7 33.9 37.2 116 119 A V E -d 98 0A 39 -2,-0.4 2,-0.5 -19,-0.2 -17,-0.2 -0.937 8.7-164.5-114.7 130.3 18.6 31.8 39.7 117 120 A T E -d 99 0A 38 -19,-3.6 -17,-2.2 -2,-0.5 -2,-0.0 -0.944 11.7-150.5-114.7 128.0 16.9 29.4 42.2 118 121 A A - 0 0 60 -2,-0.5 -17,-0.2 -19,-0.2 3,-0.1 -0.839 26.9-138.1 -95.7 101.1 18.8 28.0 45.1 119 122 A P - 0 0 23 0, 0.0 -100,-0.1 0, 0.0 2,-0.0 -0.165 29.0 -89.6 -57.5 152.9 17.0 24.6 45.7 120 123 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -98,-0.1 -0.358 45.9-108.4 -65.0 143.0 16.2 23.6 49.3 121 124 A L - 0 0 127 -3,-0.1 2,-0.7 1,-0.1 -106,-0.0 -0.532 23.3-155.6 -76.7 135.4 18.9 21.6 51.0 122 125 A F S S- 0 0 84 -2,-0.3 5,-0.2 1,-0.2 -104,-0.1 -0.839 75.1 -39.0-113.6 91.6 18.2 17.9 51.6 123 126 A Y >> - 0 0 127 -2,-0.7 4,-3.0 1,-0.1 3,-1.0 0.953 68.6-179.7 56.0 55.6 20.4 16.8 54.5 124 127 A R T 34 S+ 0 0 159 1,-0.2 -1,-0.1 2,-0.2 -109,-0.0 0.763 73.6 73.1 -55.5 -23.4 23.4 18.8 53.5 125 128 A D T 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.916 118.2 8.2 -57.8 -50.7 24.9 17.3 56.6 126 129 A R T <4 S+ 0 0 96 -3,-1.0 2,-1.7 1,-0.1 -2,-0.2 0.731 116.3 76.3-104.7 -30.3 25.4 13.8 55.2 127 130 A Y S < S+ 0 0 39 -4,-3.0 2,-0.3 -5,-0.2 -5,-0.1 -0.436 72.3 107.8 -84.8 65.3 24.5 14.3 51.6 128 131 A S S > S- 0 0 35 -2,-1.7 4,-2.5 -3,-0.1 3,-0.2 -0.993 74.1-125.8-140.2 145.7 27.8 16.0 50.4 129 132 A G H > S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.850 112.8 59.1 -57.6 -34.8 30.7 14.9 48.3 130 133 A T H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 108.8 43.6 -58.2 -49.5 33.0 15.9 51.1 131 134 A E H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 110.4 54.7 -64.3 -44.7 31.2 13.5 53.5 132 135 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.935 114.3 40.8 -55.4 -47.9 31.0 10.6 50.9 133 136 A A H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.911 111.5 57.4 -66.6 -42.0 34.8 10.8 50.4 134 137 A R H X S+ 0 0 139 -4,-2.5 4,-1.5 -5,-0.3 6,-0.2 0.877 111.0 43.1 -56.3 -39.9 35.3 11.3 54.1 135 138 A R H <>S+ 0 0 47 -4,-2.6 5,-2.9 2,-0.2 -1,-0.2 0.862 109.5 55.7 -77.1 -36.2 33.5 8.0 54.8 136 139 A M H ><5S+ 0 0 2 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.923 112.0 44.2 -61.5 -42.7 35.1 6.0 52.0 137 140 A L H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 118.0 43.1 -69.4 -38.2 38.5 6.9 53.4 138 141 A D T 3<5S- 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.065 114.1-110.7 -98.9 26.3 37.6 6.2 57.0 139 142 A D T < 5 + 0 0 128 -3,-0.9 -3,-0.2 1,-0.1 -4,-0.1 0.735 68.8 151.1 52.4 27.5 35.7 3.0 56.3 140 143 A G < - 0 0 31 -5,-2.9 2,-1.3 -6,-0.2 3,-0.3 -0.013 62.1 -79.8 -74.6-173.9 32.5 4.8 57.2 141 144 A D + 0 0 88 1,-0.2 3,-0.3 2,-0.1 4,-0.2 -0.663 64.9 149.4 -92.6 81.6 29.0 4.0 55.8 142 145 A W >> + 0 0 13 -2,-1.3 3,-2.1 1,-0.2 4,-0.5 0.838 58.2 74.0 -81.7 -34.9 29.2 5.8 52.5 143 146 A R G >4 S+ 0 0 114 1,-0.3 3,-0.7 -3,-0.3 -1,-0.2 0.757 90.5 61.1 -50.2 -27.6 26.8 3.4 50.6 144 147 A S G 34 S+ 0 0 58 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.750 98.7 55.3 -73.1 -25.3 23.9 5.0 52.5 145 148 A L G <4 S+ 0 0 4 -3,-2.1 -131,-2.3 -4,-0.2 -130,-0.4 0.520 104.5 66.1 -85.2 -5.8 24.5 8.5 51.1 146 149 A L S << S- 0 0 0 -3,-0.7 -133,-0.2 -4,-0.5 5,-0.1 -0.879 88.7-103.1-123.2 150.6 24.4 7.2 47.5 147 150 A P >> - 0 0 3 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.341 40.8-115.2 -61.7 150.5 21.8 5.8 45.1 148 151 A E H 3> S+ 0 0 102 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.889 115.8 53.5 -56.0 -44.0 22.2 2.0 44.8 149 152 A S H 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.827 107.3 53.0 -62.7 -29.6 23.1 2.2 41.1 150 153 A V H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.868 107.7 50.4 -72.9 -35.6 25.8 4.8 41.9 151 154 A V H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.924 107.5 54.9 -65.6 -43.2 27.3 2.4 44.5 152 155 A E H X S+ 0 0 113 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.898 109.4 46.2 -56.9 -43.8 27.3 -0.4 41.9 153 156 A V H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.934 109.3 53.2 -65.9 -46.8 29.3 1.8 39.5 154 157 A I H <>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 4,-0.5 0.849 111.6 48.9 -57.7 -31.1 31.8 2.9 42.1 155 158 A D H ><5S+ 0 0 72 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.936 109.7 50.4 -72.3 -46.5 32.2 -0.9 42.8 156 159 A E H 3<5S+ 0 0 156 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.724 116.7 40.3 -65.5 -22.6 32.7 -1.7 39.1 157 160 A I T 3<5S- 0 0 42 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.430 110.1-118.7-104.6 -0.7 35.4 1.0 38.7 158 161 A N T <>5 + 0 0 92 -3,-0.9 4,-2.2 -4,-0.5 -3,-0.2 0.900 50.1 166.2 64.9 43.8 37.1 0.4 42.0 159 162 A G H > S+ 0 0 31 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 109.7 52.5 -58.8 -42.2 37.2 3.2 46.9 161 164 A E H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 112.2 46.7 -59.9 -47.0 40.5 1.5 46.0 162 165 A R H X S+ 0 0 44 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.968 112.7 47.8 -58.9 -57.5 41.5 4.6 43.9 163 166 A I H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.881 112.2 49.1 -53.7 -45.1 40.5 7.2 46.5 164 167 A K H < S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.912 108.2 53.5 -63.8 -41.5 42.3 5.4 49.3 165 168 A H H < S+ 0 0 169 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.850 109.7 50.2 -62.0 -31.4 45.5 5.0 47.2 166 169 A L H < 0 0 73 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.811 360.0 360.0 -76.5 -31.2 45.3 8.8 46.7 167 170 A A < 0 0 82 -4,-1.6 -3,-0.0 -3,-0.2 0, 0.0 -0.098 360.0 360.0 -81.4 360.0 44.9 9.7 50.3