==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-NOV-03 1V5X . COMPND 2 MOLECULE: PHOSPHORIBOSYLANTHRANILATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.TAKA,N.KUNISHIMA,K.YUTANI,RIKEN STRUCTURAL . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 1 2 1 0 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 84 0, 0.0 2,-0.2 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 133.0 19.5 8.5 103.6 2 2 A R E -a 170 0A 34 167,-0.7 169,-3.3 166,-0.2 2,-0.4 -0.514 360.0-165.4 -72.6 133.8 23.1 7.6 104.6 3 3 A V E -a 171 0A 0 18,-0.3 20,-2.2 -2,-0.2 21,-1.4 -0.969 13.0-166.1-127.2 136.4 24.2 9.1 107.9 4 4 A K E -ab 172 24A 0 167,-2.1 169,-2.7 -2,-0.4 2,-0.7 -0.963 10.6-152.1-117.4 134.2 27.6 9.4 109.4 5 5 A I E -ab 173 25A 0 19,-2.3 21,-2.7 -2,-0.4 3,-0.3 -0.938 22.9-165.7-107.5 113.9 28.0 10.3 113.1 6 6 A C + 0 0 14 167,-2.3 176,-0.1 -2,-0.7 21,-0.1 -0.429 55.6 42.7 -96.8 170.2 31.3 12.1 113.6 7 7 A G + 0 0 0 1,-0.2 2,-0.2 -2,-0.1 20,-0.2 0.791 67.2 178.7 68.2 32.3 33.3 13.0 116.7 8 8 A I + 0 0 0 18,-2.8 20,-0.3 -3,-0.3 -1,-0.2 -0.484 17.9 154.1 -70.2 131.0 32.9 9.6 118.5 9 9 A T + 0 0 44 173,-0.4 2,-0.4 -2,-0.2 -1,-0.2 0.423 56.8 55.8-132.6 -10.3 34.8 9.5 121.8 10 10 A R > - 0 0 79 1,-0.1 4,-2.0 172,-0.1 3,-0.5 -0.983 68.7-134.9-134.3 142.3 32.9 7.0 123.8 11 11 A L H > S+ 0 0 80 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.925 107.3 61.3 -52.0 -48.7 31.8 3.3 123.3 12 12 A E H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 107.5 42.2 -46.7 -47.6 28.3 4.3 124.5 13 13 A D H > S+ 0 0 4 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.883 112.0 53.9 -71.4 -39.8 27.8 6.7 121.6 14 14 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.939 109.9 47.8 -60.2 -47.4 29.3 4.5 119.0 15 15 A L H X S+ 0 0 64 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.877 112.8 47.0 -63.3 -40.8 27.0 1.6 119.9 16 16 A L H X S+ 0 0 30 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.947 112.4 49.3 -67.3 -47.8 23.8 3.7 119.9 17 17 A A H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.6 0.931 113.6 47.8 -55.5 -45.7 24.6 5.3 116.6 18 18 A E H ><5S+ 0 0 7 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.950 111.4 49.6 -60.3 -50.2 25.3 1.9 115.2 19 19 A A H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.9 55.9 -58.5 -36.7 22.1 0.5 116.6 20 20 A L H 3<5S- 0 0 36 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.610 126.8 -95.2 -74.2 -11.4 20.1 3.4 115.2 21 21 A G T <<5 + 0 0 23 -3,-1.4 -18,-0.3 -4,-0.6 -3,-0.2 0.694 61.0 164.3 109.7 19.1 21.3 2.7 111.7 22 22 A A < - 0 0 1 -5,-2.1 -1,-0.2 1,-0.1 -18,-0.2 -0.454 28.1-153.8 -69.5 141.4 24.4 4.9 111.0 23 23 A F S S+ 0 0 22 -20,-2.2 31,-2.7 1,-0.2 2,-0.3 0.727 75.8 18.8 -85.7 -24.4 26.4 3.8 108.0 24 24 A A E -bc 4 54A 0 -21,-1.4 -19,-2.3 29,-0.2 2,-0.4 -0.984 59.4-151.8-147.9 157.0 29.6 5.4 109.3 25 25 A L E -bc 5 55A 0 29,-2.6 31,-3.2 -2,-0.3 2,-0.4 -0.997 18.2-138.9-131.7 133.0 31.3 6.7 112.5 26 26 A G E - c 0 56A 0 -21,-2.7 -18,-2.8 -2,-0.4 2,-0.5 -0.767 11.6-169.5 -97.8 137.4 33.9 9.4 112.7 27 27 A F E - c 0 57A 0 29,-2.8 31,-2.6 -2,-0.4 2,-0.4 -0.938 18.7-142.9-125.0 103.9 37.0 9.2 115.0 28 28 A V E +dc 36 58A 11 -2,-0.5 9,-2.0 7,-0.5 31,-0.2 -0.546 29.1 165.6 -73.6 122.4 38.9 12.5 115.1 29 29 A L + 0 0 7 29,-3.4 31,-0.2 -2,-0.4 30,-0.2 0.102 36.0 121.6-120.8 17.6 42.6 12.1 115.3 30 30 A A > - 0 0 9 28,-0.3 3,-1.5 29,-0.2 5,-0.2 -0.756 68.2-123.7 -88.2 106.7 43.5 15.7 114.4 31 31 A P T 3 S+ 0 0 80 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.290 96.2 34.7 -51.8 118.6 45.5 17.2 117.3 32 32 A G T 3 S+ 0 0 80 1,-0.3 2,-0.1 -2,-0.1 -3,-0.0 0.427 85.4 131.0 114.9 3.1 43.7 20.3 118.5 33 33 A S X - 0 0 48 -3,-1.5 3,-0.7 1,-0.1 -1,-0.3 -0.460 62.3-130.6 -88.7 160.2 40.1 19.3 118.0 34 34 A R T 3 S+ 0 0 150 1,-0.2 -1,-0.1 -2,-0.1 95,-0.0 0.497 112.4 40.5 -82.9 -3.8 37.2 19.6 120.5 35 35 A R T 3 S+ 0 0 17 -5,-0.2 -7,-0.5 2,-0.0 -1,-0.2 0.059 83.8 146.5-129.8 20.5 36.3 15.9 119.7 36 36 A R B < -d 28 0A 122 -3,-0.7 2,-0.3 -6,-0.1 -7,-0.2 -0.201 23.5-172.4 -62.0 150.6 39.8 14.4 119.5 37 37 A I - 0 0 16 -9,-2.0 -28,-0.0 -10,-0.0 -2,-0.0 -0.996 30.6 -98.4-146.4 148.2 40.4 10.8 120.7 38 38 A A >> - 0 0 44 -2,-0.3 4,-2.6 1,-0.1 3,-0.9 -0.467 29.2-130.4 -68.1 133.8 43.5 8.6 121.2 39 39 A P H 3> S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.885 109.7 52.6 -50.7 -44.7 44.2 6.2 118.3 40 40 A E H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.827 110.5 49.6 -60.3 -34.2 44.5 3.2 120.6 41 41 A A H <> S+ 0 0 38 -3,-0.9 4,-2.6 2,-0.2 5,-0.3 0.951 106.3 52.8 -69.6 -51.9 41.1 4.2 122.1 42 42 A A H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.837 110.7 51.0 -51.3 -33.1 39.4 4.5 118.7 43 43 A R H X S+ 0 0 83 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.917 105.9 52.7 -73.4 -41.8 40.7 1.0 118.0 44 44 A A H X S+ 0 0 49 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.949 110.8 47.8 -54.2 -49.4 39.3 -0.4 121.3 45 45 A I H >X S+ 0 0 14 -4,-2.6 3,-1.1 1,-0.2 4,-0.6 0.869 107.0 57.9 -58.3 -37.4 35.9 0.9 120.4 46 46 A G H >< S+ 0 0 4 -4,-1.5 3,-1.3 -5,-0.3 -1,-0.2 0.897 97.6 59.8 -62.9 -36.3 36.3 -0.5 117.0 47 47 A E H 3< S+ 0 0 130 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.723 105.3 52.5 -60.9 -19.1 36.8 -4.0 118.5 48 48 A A H << S+ 0 0 33 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.606 95.2 86.8 -95.2 -12.1 33.3 -3.6 120.0 49 49 A L S << S- 0 0 0 -3,-1.3 -34,-0.1 -4,-0.6 4,-0.0 -0.425 80.8-107.1 -88.6 162.0 31.5 -2.6 116.8 50 50 A G - 0 0 0 -2,-0.1 3,-0.4 1,-0.1 271,-0.1 -0.372 33.1-110.0 -78.6 166.1 29.9 -4.9 114.2 51 51 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.670 104.6 71.7 -72.9 -15.7 31.5 -5.4 110.8 52 52 A F S S+ 0 0 1 2,-0.1 2,-0.3 173,-0.1 152,-0.1 -0.259 78.8 81.0 -99.5 47.0 28.9 -3.5 108.8 53 53 A V S S- 0 0 2 -3,-0.4 2,-0.4 -2,-0.4 -29,-0.2 -0.972 78.6-121.9-144.9 132.7 29.6 0.1 109.9 54 54 A V E -c 24 0A 1 -31,-2.7 -29,-2.6 -2,-0.3 2,-0.7 -0.656 16.1-144.0 -82.9 133.1 32.4 2.1 108.3 55 55 A R E -c 25 0A 8 -2,-0.4 22,-2.6 -31,-0.2 23,-2.0 -0.855 18.5-164.2 -97.4 111.4 35.1 3.5 110.6 56 56 A V E -ce 26 78A 0 -31,-3.2 -29,-2.8 -2,-0.7 2,-0.5 -0.832 7.5-151.9-102.0 131.4 36.3 6.9 109.5 57 57 A G E -ce 27 79A 0 21,-3.5 23,-3.8 -2,-0.5 2,-0.5 -0.850 10.9-151.2 -99.4 132.0 39.5 8.5 110.7 58 58 A V E +ce 28 80A 9 -31,-2.6 -29,-3.4 -2,-0.5 -28,-0.3 -0.908 22.0 168.0-109.1 127.1 39.5 12.3 110.7 59 59 A F E - e 0 81A 0 21,-2.9 23,-2.4 -2,-0.5 2,-0.3 -0.754 21.7-150.2-127.4 172.7 42.8 14.2 110.2 60 60 A R S S- 0 0 103 -2,-0.2 21,-0.1 22,-0.2 -2,-0.0 -0.857 71.6 -27.5-154.3 115.7 44.0 17.7 109.6 61 61 A D S S+ 0 0 92 -2,-0.3 20,-0.0 1,-0.2 -31,-0.0 0.822 88.6 145.7 50.4 40.9 47.2 18.8 107.8 62 62 A Q - 0 0 15 1,-0.0 -1,-0.2 2,-0.0 5,-0.1 -0.899 53.9-108.0-109.2 132.7 49.0 15.6 108.7 63 63 A P >> - 0 0 38 0, 0.0 4,-1.9 0, 0.0 3,-1.6 -0.215 29.1-114.3 -55.9 145.9 51.6 14.1 106.2 64 64 A P H 3> S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.860 119.7 60.5 -48.2 -41.2 50.5 10.8 104.5 65 65 A E H 3> S+ 0 0 157 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.881 110.2 43.1 -55.0 -37.8 53.2 9.0 106.5 66 66 A E H X> S+ 0 0 76 -3,-1.6 4,-2.4 2,-0.2 3,-0.7 0.995 114.9 45.8 -69.4 -69.3 51.4 10.2 109.6 67 67 A V H 3X S+ 0 0 0 -4,-1.9 4,-3.7 1,-0.3 3,-0.4 0.897 112.8 49.5 -40.3 -61.4 47.8 9.5 108.5 68 68 A L H 3X S+ 0 0 38 -4,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.858 112.9 48.5 -51.4 -38.1 48.5 6.0 107.2 69 69 A R H S+ 0 0 0 -4,-3.7 5,-2.6 1,-0.2 4,-0.5 0.906 113.8 42.9 -53.2 -45.6 44.8 4.8 110.3 72 72 A E H ><5S+ 0 0 113 -4,-1.8 3,-0.7 -5,-0.3 -1,-0.2 0.916 111.9 54.7 -67.6 -44.1 46.6 1.5 110.9 73 73 A E H 3<5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.918 118.0 34.0 -55.3 -49.2 47.1 2.4 114.6 74 74 A A T 3<5S- 0 0 1 -4,-3.1 -1,-0.3 -31,-0.1 -2,-0.2 0.422 108.1-124.8 -87.6 -1.2 43.4 2.9 115.2 75 75 A R T < 5 + 0 0 60 -3,-0.7 -3,-0.2 -4,-0.5 2,-0.2 0.928 51.7 164.3 55.8 49.4 42.4 0.3 112.7 76 76 A L < - 0 0 6 -5,-2.6 -20,-0.2 -6,-0.2 -1,-0.1 -0.498 34.0-153.9 -94.6 167.1 40.2 2.7 110.7 77 77 A Q S S+ 0 0 13 -22,-2.6 2,-0.4 1,-0.3 -21,-0.2 0.694 72.7 38.0-115.7 -28.7 38.9 2.1 107.1 78 78 A V E -e 56 0A 0 -23,-2.0 -21,-3.5 19,-0.2 2,-0.5 -0.975 68.2-141.4-128.0 143.6 38.3 5.6 105.5 79 79 A A E -ef 57 99A 0 19,-2.4 21,-2.1 -2,-0.4 2,-0.7 -0.910 8.3-161.1-109.7 123.0 40.5 8.7 105.9 80 80 A Q E -ef 58 100A 2 -23,-3.8 -21,-2.9 -2,-0.5 2,-1.0 -0.906 6.4-156.2-104.1 112.7 38.8 12.1 106.1 81 81 A L E +ef 59 101A 2 19,-2.5 21,-2.6 -2,-0.7 -21,-0.2 -0.804 22.8 165.6 -91.4 103.8 41.2 14.9 105.3 82 82 A H + 0 0 32 -23,-2.4 -22,-0.2 -2,-1.0 -1,-0.2 0.496 55.3 67.4 -98.1 -6.7 39.8 17.9 107.0 83 83 A G S S- 0 0 11 -24,-0.2 -23,-0.1 -21,-0.1 -2,-0.1 0.647 107.7 -83.6 -81.1-120.0 42.8 20.3 106.8 84 84 A E + 0 0 119 19,-0.1 -24,-0.1 2,-0.0 -2,-0.1 -0.103 62.4 170.3-145.1 33.8 44.0 21.6 103.5 85 85 A E - 0 0 4 1,-0.1 -4,-0.0 2,-0.1 0, 0.0 -0.081 38.2-104.2 -50.2 145.5 46.1 18.7 102.5 86 86 A P >> - 0 0 42 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.439 23.2-117.3 -74.1 146.9 47.5 18.7 98.9 87 87 A P H 3> S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.835 117.9 65.6 -53.3 -27.1 45.9 16.4 96.3 88 88 A E H 3> S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.924 105.9 40.5 -58.9 -44.7 49.3 14.8 96.2 89 89 A W H <> S+ 0 0 91 -3,-1.3 4,-2.7 2,-0.2 5,-0.4 0.909 111.9 54.4 -69.7 -45.2 48.7 13.7 99.8 90 90 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.891 110.7 49.3 -55.7 -37.5 45.1 12.8 99.2 91 91 A E H < S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.908 108.5 51.5 -68.6 -43.8 46.4 10.6 96.4 92 92 A A H >< S+ 0 0 32 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.915 119.3 35.7 -60.8 -45.6 49.1 9.0 98.6 93 93 A V H >X S+ 0 0 1 -4,-2.7 3,-3.1 1,-0.2 4,-2.2 0.897 108.8 65.0 -74.3 -40.2 46.6 8.0 101.3 94 94 A G T 3< S+ 0 0 40 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.520 89.6 71.5 -60.1 -1.9 43.9 7.3 98.7 95 95 A R T <4 S+ 0 0 122 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.531 113.4 22.2 -90.2 -8.7 46.2 4.5 97.6 96 96 A F T <4 S+ 0 0 94 -3,-3.1 -2,-0.2 1,-0.4 -3,-0.1 0.578 130.0 25.9-127.6 -28.2 45.4 2.6 100.8 97 97 A Y S < S- 0 0 51 -4,-2.2 -1,-0.4 -18,-0.0 -19,-0.2 -0.978 83.1 -98.3-141.9 152.1 42.0 4.0 101.9 98 98 A P - 0 0 15 0, 0.0 -19,-2.4 0, 0.0 2,-0.4 -0.413 47.7-141.6 -64.2 150.2 39.0 5.7 100.4 99 99 A V E -f 79 0A 4 -21,-0.2 20,-1.6 -5,-0.1 21,-1.4 -0.945 19.0-166.4-123.9 138.2 39.3 9.4 101.0 100 100 A I E -fg 80 120A 0 -21,-2.1 -19,-2.5 -2,-0.4 2,-0.5 -0.979 16.5-151.2-116.9 128.8 36.8 12.1 101.9 101 101 A K E -fg 81 121A 0 19,-2.4 21,-2.9 -2,-0.5 2,-0.3 -0.900 7.1-141.3-106.8 131.1 37.9 15.7 101.5 102 102 A A E - g 0 122A 3 -21,-2.6 21,-0.2 -2,-0.5 19,-0.0 -0.635 18.9-176.6 -87.5 145.5 36.5 18.4 103.6 103 103 A F E - g 0 123A 8 19,-2.0 21,-1.4 -2,-0.3 -19,-0.1 -0.915 20.6-131.9-147.6 117.3 35.8 21.9 102.2 104 104 A P E - g 0 124A 63 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.293 14.9-142.5 -65.6 149.6 34.5 25.0 104.0 105 105 A L + 0 0 2 19,-1.4 21,-0.4 1,-0.1 4,-0.1 -0.697 31.6 161.9-119.9 81.8 31.6 26.9 102.5 106 106 A E S S- 0 0 152 -2,-0.5 -1,-0.1 19,-0.2 19,-0.1 0.177 84.2 -42.7 -81.1 21.5 31.9 30.7 102.9 107 107 A G S S+ 0 0 7 31,-0.1 2,-0.1 28,-0.1 19,-0.0 -0.936 116.3 11.0 156.0-131.4 29.3 30.9 100.2 108 108 A P S S- 0 0 93 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 -0.485 74.3-116.2 -78.7 152.3 28.9 29.0 96.9 109 109 A A - 0 0 2 29,-0.9 -4,-0.1 -2,-0.1 14,-0.0 -0.754 22.8-120.4 -92.3 129.7 31.1 25.9 96.3 110 110 A R > - 0 0 158 -2,-0.5 3,-3.0 1,-0.2 4,-0.3 -0.548 15.2-144.0 -69.5 112.1 33.6 26.0 93.4 111 111 A P G > S+ 0 0 65 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.683 94.5 79.8 -50.1 -18.1 32.6 23.1 91.1 112 112 A E G > S+ 0 0 147 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.618 77.7 71.2 -67.2 -10.7 36.3 22.6 90.6 113 113 A W G X S+ 0 0 49 -3,-3.0 3,-3.0 1,-0.3 -1,-0.3 0.814 81.0 69.4 -73.3 -29.8 36.3 20.8 93.9 114 114 A A G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.528 94.1 62.3 -63.4 -1.6 34.5 18.0 92.2 115 115 A D G < S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.547 77.0 107.8 -98.1 -14.2 37.9 17.7 90.6 116 116 A Y S < S- 0 0 25 -3,-3.0 2,-1.6 1,-0.1 -15,-0.1 -0.472 82.6-113.2 -68.0 135.8 39.6 17.0 93.9 117 117 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 -0.524 73.3 112.7 -74.7 82.5 40.7 13.3 94.1 118 118 A A - 0 0 13 -2,-1.6 -18,-0.2 -4,-0.1 3,-0.1 -0.985 69.7-127.4-149.7 147.0 38.5 11.9 96.9 119 119 A Q S S+ 0 0 41 -20,-1.6 2,-0.3 -2,-0.3 29,-0.3 0.715 98.5 22.5 -69.8 -19.7 35.7 9.4 96.8 120 120 A A E -g 100 0A 0 -21,-1.4 -19,-2.4 131,-0.1 2,-0.5 -0.997 67.8-147.1-149.0 144.9 33.5 11.9 98.6 121 121 A L E -gh 101 149A 0 27,-2.0 29,-2.6 -2,-0.3 2,-0.6 -0.954 15.5-150.5-114.3 123.2 33.4 15.7 99.0 122 122 A L E -gh 102 150A 1 -21,-2.9 -19,-2.0 -2,-0.5 2,-1.1 -0.840 0.3-154.8-101.5 121.2 32.1 17.1 102.3 123 123 A L E +gh 103 151A 0 27,-2.2 29,-1.6 -2,-0.6 2,-0.3 -0.748 25.2 172.5 -93.6 93.2 30.5 20.5 102.3 124 124 A D E -g 104 0A 17 -21,-1.4 -19,-1.4 -2,-1.1 9,-0.1 -0.710 30.4-106.4-103.9 154.4 30.9 22.0 105.8 125 125 A G - 0 0 1 -2,-0.3 -19,-0.2 7,-0.3 -1,-0.2 0.160 54.1 -67.6 -64.2-174.2 30.1 25.5 107.0 126 126 A K S S+ 0 0 119 -21,-0.4 -20,-0.1 7,-0.4 -2,-0.1 0.918 119.4 33.7 -41.5 -73.0 32.5 28.3 107.8 127 127 A R S > S- 0 0 105 -22,-0.1 3,-0.9 -23,-0.1 2,-0.6 -0.690 90.5-113.9 -92.9 144.5 34.2 26.8 110.9 128 128 A P T 3 S- 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.651 95.9 -5.9 -79.2 118.0 34.8 23.0 111.3 129 129 A G T 3 S+ 0 0 29 -2,-0.6 -95,-0.1 3,-0.1 -5,-0.0 0.882 94.6 122.6 67.4 38.4 32.8 21.6 114.1 130 130 A S S < S- 0 0 27 -3,-0.9 3,-0.1 2,-0.2 -1,-0.1 0.087 78.5-121.3-114.2 17.2 31.5 24.9 115.3 131 131 A G + 0 0 34 1,-0.2 2,-0.6 -4,-0.1 43,-0.0 0.630 63.5 146.0 52.4 15.7 27.8 23.9 114.9 132 132 A E - 0 0 107 -5,-0.3 -7,-0.3 1,-0.1 -1,-0.2 -0.757 30.3-163.1 -90.2 121.0 27.3 26.8 112.4 133 133 A A - 0 0 48 -2,-0.6 -7,-0.4 21,-0.2 21,-0.2 0.181 3.3-160.6 -80.7-159.0 24.9 26.0 109.6 134 134 A Y - 0 0 24 19,-0.3 2,-0.3 20,-0.1 -28,-0.0 -0.973 36.1 -57.2-174.7 171.2 24.3 27.8 106.3 135 135 A P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.505 44.8-130.5 -69.9 126.4 21.8 28.3 103.4 136 136 A R G > S+ 0 0 34 -2,-0.3 3,-1.0 1,-0.3 4,-0.2 0.738 101.0 64.4 -43.7 -35.4 20.8 25.0 101.8 137 137 A A G > S+ 0 0 51 1,-0.2 3,-2.6 2,-0.2 -1,-0.3 0.791 75.0 85.5 -65.4 -31.6 21.5 26.3 98.3 138 138 A W G < S+ 0 0 88 -3,-1.8 -29,-0.9 1,-0.3 -1,-0.2 0.558 87.2 58.5 -49.7 -7.1 25.3 26.8 98.8 139 139 A A G X> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.2 3,-1.1 0.687 77.9 90.6 -96.8 -22.4 25.7 23.1 97.8 140 140 A K H <> S+ 0 0 111 -3,-2.6 4,-3.1 1,-0.2 5,-0.2 0.877 81.6 55.3 -39.5 -60.0 24.0 23.3 94.3 141 141 A P H 3> S+ 0 0 37 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.835 116.8 36.3 -47.7 -39.1 27.2 24.1 92.4 142 142 A L H X4>S+ 0 0 0 -3,-1.1 3,-1.0 -4,-0.2 5,-0.5 0.900 114.3 53.6 -83.0 -42.7 29.0 21.0 93.8 143 143 A L H ><5S+ 0 0 39 -4,-2.8 3,-2.0 1,-0.3 -3,-0.2 0.893 101.7 63.9 -56.4 -37.7 26.0 18.7 93.8 144 144 A A H 3<5S+ 0 0 86 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.832 88.0 68.4 -54.9 -36.3 25.6 19.6 90.2 145 145 A T T <<5S- 0 0 54 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.646 104.8-127.4 -61.1 -15.1 28.9 18.0 89.3 146 146 A G T < 5 + 0 0 66 -3,-2.0 -1,-0.1 -4,-0.3 -3,-0.1 0.365 62.8 137.5 84.4 -8.0 27.4 14.6 90.1 147 147 A R S S+ 0 0 7 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.713 115.6 62.7 -58.8 -19.1 16.6 16.4 113.0 158 158 A E T 3 S+ 0 0 140 1,-0.2 2,-0.5 18,-0.1 3,-0.4 0.995 109.4 32.5 -68.6 -63.3 14.6 19.7 112.9 159 159 A N T 3> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.1 3,-0.3 -0.193 81.6 119.0 -89.6 41.1 15.7 21.1 109.5 160 160 A L H <> + 0 0 0 -3,-0.6 4,-3.3 -2,-0.5 5,-0.4 0.954 61.6 68.2 -70.0 -50.5 16.1 17.7 107.7 161 161 A E H > S+ 0 0 121 -3,-0.4 4,-1.1 -4,-0.2 -1,-0.2 0.764 100.0 54.7 -38.4 -35.2 13.5 18.3 105.0 162 162 A E H >> S+ 0 0 95 -3,-0.3 3,-1.2 2,-0.2 4,-1.1 0.999 116.0 30.4 -65.0 -75.0 15.8 21.0 103.6 163 163 A V H 3X S+ 0 0 0 -4,-0.9 4,-0.5 1,-0.3 3,-0.3 0.858 117.6 59.4 -53.1 -39.9 19.1 19.0 103.2 164 164 A L H >< S+ 0 0 33 -4,-3.3 3,-0.9 1,-0.2 -1,-0.3 0.818 97.6 61.9 -60.8 -31.2 17.1 15.8 102.5 165 165 A A H << S+ 0 0 70 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.928 94.1 59.2 -61.5 -47.4 15.4 17.5 99.6 166 166 A L H 3< S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.700 100.3-142.5 -55.4 -18.7 18.7 18.0 97.7 167 167 A R << + 0 0 193 -3,-0.9 -3,-0.1 -4,-0.5 -2,-0.1 0.927 31.0 179.0 53.3 55.1 19.0 14.2 97.9 168 168 A P - 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