==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-JUL-06 2HRY . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.E.EALICK,M.MORAR . 575 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 19.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.2 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 . 63 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 1 1 4 1 0 2 1 2 0 1 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 3 1 5 1 0 3 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 2 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 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 K > 0 0 108 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -11.4 38.0 -22.2 187.2 2 3 A L H > + 0 0 132 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.987 360.0 37.1 -66.9 -58.1 35.3 -19.5 186.7 3 4 A R H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 120.1 52.3 -57.0 -44.5 37.2 -16.7 188.3 4 5 A Y H > S+ 0 0 26 2,-0.2 4,-4.3 1,-0.2 5,-0.4 0.938 103.2 53.7 -57.2 -55.8 40.3 -18.2 186.7 5 6 A L H X S+ 0 0 65 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.909 111.9 47.9 -47.4 -46.6 39.0 -18.4 183.2 6 7 A N H X S+ 0 0 72 -4,-1.9 4,-3.2 2,-0.2 3,-0.4 0.989 114.2 45.6 -56.7 -60.6 38.2 -14.7 183.5 7 8 A I H X S+ 0 0 49 -4,-2.7 4,-2.7 1,-0.3 5,-0.2 0.909 113.1 49.3 -47.4 -53.5 41.7 -14.0 184.9 8 9 A L H X S+ 0 0 0 -4,-4.3 4,-1.6 1,-0.2 -1,-0.3 0.870 113.8 49.1 -55.3 -37.4 43.3 -16.1 182.2 9 10 A K H X>S+ 0 0 56 -4,-2.5 4,-1.6 -5,-0.4 5,-0.9 0.913 109.0 48.9 -69.4 -45.8 41.2 -14.2 179.7 10 11 A E H <5S+ 0 0 127 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 114.4 48.1 -61.3 -39.3 42.1 -10.8 181.0 11 12 A K H <5S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.831 112.6 47.5 -70.3 -32.4 45.7 -11.8 180.9 12 13 A L H <5S- 0 0 26 -4,-1.6 -1,-0.2 2,-0.3 -2,-0.2 0.696 97.6-142.7 -80.6 -18.1 45.3 -13.2 177.4 13 14 A G T <5S+ 0 0 70 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.568 78.5 45.5 66.8 6.2 43.6 -9.9 176.4 14 15 A R S - 0 0 55 1,-0.1 4,-2.9 0, 0.0 5,-0.4 -0.438 29.5-101.9 -87.8 167.4 42.3 -21.3 172.6 18 19 A F H > S+ 0 0 122 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.984 126.7 43.2 -51.7 -62.5 41.5 -24.9 173.0 19 20 A V H > S+ 0 0 18 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.835 112.2 55.4 -50.8 -39.5 45.1 -25.8 173.8 20 21 A E H > S+ 0 0 5 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.970 112.8 39.3 -60.1 -55.8 45.3 -22.7 176.1 21 22 A L H X S+ 0 0 41 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.913 116.9 53.2 -59.1 -43.3 42.3 -23.7 178.2 22 23 A Q H X S+ 0 0 46 -4,-3.4 4,-0.8 -5,-0.4 -2,-0.2 0.947 115.1 40.2 -55.0 -52.6 43.5 -27.3 178.0 23 24 A A H >X S+ 0 0 0 -4,-3.7 4,-2.1 1,-0.2 3,-1.5 0.965 116.9 45.2 -63.6 -58.6 46.9 -26.2 179.3 24 25 A F H 3X S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.3 5,-0.3 0.720 101.4 70.8 -61.5 -18.2 45.9 -23.7 181.9 25 26 A S H 3< S+ 0 0 60 -4,-1.6 4,-0.5 -5,-0.4 -1,-0.3 0.902 111.0 31.7 -61.7 -38.6 43.3 -26.3 182.9 26 27 A V H << S+ 0 0 20 -3,-1.5 6,-0.6 -4,-0.8 3,-0.4 0.966 119.5 48.7 -80.1 -62.6 46.4 -28.2 184.2 27 28 A M H < S+ 0 0 5 -4,-2.1 -3,-0.2 1,-0.2 287,-0.2 0.745 121.6 35.9 -51.7 -33.3 48.8 -25.5 185.3 28 29 A W S < S+ 0 0 4 -4,-1.9 7,-0.3 -5,-0.3 -1,-0.2 0.633 88.2 113.1 -98.9 -16.4 46.1 -23.6 187.3 29 30 A S S >> S- 0 0 42 -4,-0.5 4,-3.5 -3,-0.4 3,-1.6 -0.251 86.8-109.0 -51.4 142.0 44.3 -26.7 188.5 30 31 A E H 3> S+ 0 0 33 1,-0.3 4,-2.3 3,-0.2 -1,-0.1 0.864 117.0 62.0 -44.1 -43.6 44.8 -26.8 192.3 31 32 A H H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 422,-0.2 0.797 121.9 19.2 -55.6 -36.8 47.2 -29.8 191.8 32 33 A C H <4 S+ 0 0 26 -3,-1.6 -1,-0.2 -6,-0.6 -2,-0.2 0.589 131.7 49.3-107.6 -17.3 49.7 -27.9 189.7 33 34 A G H < S- 0 0 2 -4,-3.5 281,-0.3 -7,-0.2 -3,-0.2 0.905 73.4-159.3 -89.5 -49.8 48.6 -24.5 190.8 34 35 A Y X + 0 0 48 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.888 27.0 162.2 67.8 40.3 48.4 -24.4 194.6 35 36 A S T 4 S+ 0 0 1 -7,-0.3 282,-2.2 1,-0.2 4,-0.3 0.828 74.2 38.7 -62.4 -33.3 46.1 -21.4 194.5 36 37 A H T 4 S+ 0 0 14 280,-0.2 4,-0.2 1,-0.1 -1,-0.2 0.718 127.2 33.9 -89.8 -22.1 44.9 -22.0 198.1 37 38 A T T > S+ 0 0 0 -7,-0.1 4,-2.6 2,-0.1 5,-0.2 0.633 91.4 87.6-108.3 -17.5 48.3 -23.0 199.6 38 39 A K H X S+ 0 0 47 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.904 96.7 40.6 -49.6 -53.2 50.9 -21.0 197.6 39 40 A K H > S+ 0 0 56 -4,-0.3 4,-0.8 278,-0.3 -1,-0.2 0.885 114.7 53.3 -66.7 -37.1 50.8 -18.0 199.9 40 41 A Y H > S+ 0 0 10 -4,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.849 111.9 46.4 -64.8 -33.2 50.6 -20.3 203.0 41 42 A I H >< S+ 0 0 54 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.840 103.5 59.7 -77.2 -36.7 53.7 -22.1 201.7 42 43 A R H 3< S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 103.8 56.1 -63.4 -20.2 55.6 -18.9 201.0 43 44 A R H 3< S+ 0 0 94 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.773 88.0 94.3 -82.3 -28.4 55.2 -18.2 204.7 44 45 A L S << S- 0 0 4 -3,-0.7 2,-0.1 -4,-0.6 394,-0.1 -0.328 85.7-108.1 -66.5 144.8 56.8 -21.5 205.8 45 46 A P + 0 0 43 0, 0.0 403,-2.1 0, 0.0 2,-0.2 -0.466 50.2 179.9 -69.7 145.4 60.5 -21.4 206.7 46 47 A K B a 448 0A 103 401,-0.2 403,-0.2 -2,-0.1 404,-0.0 -0.570 360.0 360.0-135.1-163.2 62.6 -23.3 204.1 47 48 A T 0 0 125 401,-0.6 402,-0.2 -2,-0.2 -1,-0.1 0.086 360.0 360.0-172.5 360.0 65.9 -24.5 202.8 48 ! 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 49 55 A G 0 0 31 0, 0.0 12,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 80.4 64.0 -30.6 198.5 50 56 A V E -G 60 0B 41 10,-0.2 2,-0.5 399,-0.2 10,-0.2 -0.896 360.0-170.0-116.3 103.6 67.7 -31.4 199.0 51 57 A V E -G 59 0B 18 8,-1.9 8,-2.5 -2,-0.6 362,-0.1 -0.778 25.6-121.8 -91.7 129.9 69.0 -31.0 202.5 52 58 A N E -G 58 0B 59 -2,-0.5 6,-0.3 6,-0.3 7,-0.1 -0.126 27.3-175.1 -60.5 169.9 72.8 -31.2 202.8 53 59 A L S S- 0 0 7 4,-1.9 5,-0.2 5,-0.1 -1,-0.1 0.588 71.6 -5.5-138.6 -38.1 74.1 -33.9 205.2 54 60 A D S S- 0 0 46 3,-1.4 4,-0.1 318,-0.1 -2,-0.0 0.072 96.8 -93.9-153.5 28.1 77.8 -33.8 205.6 55 61 A D S S+ 0 0 144 2,-0.4 3,-0.1 1,-0.2 -3,-0.0 0.532 127.0 51.7 67.1 4.1 79.1 -31.1 203.2 56 62 A Y S S+ 0 0 102 1,-0.4 98,-2.3 98,-0.1 99,-0.4 0.489 108.7 42.8-135.2 -35.5 79.7 -33.9 200.8 57 63 A Y E - H 0 153B 63 96,-0.3 -4,-1.9 97,-0.1 -3,-1.4 -0.927 59.3-172.1-121.4 146.0 76.4 -35.8 200.7 58 64 A S E -GH 52 152B 3 94,-2.2 94,-2.3 -2,-0.4 2,-0.6 -0.967 19.5-134.0-131.8 146.0 72.9 -34.4 200.6 59 65 A V E -GH 51 151B 0 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.6 -0.924 13.1-157.4-106.4 122.6 69.6 -36.3 200.9 60 66 A A E +GH 50 150B 0 90,-1.6 90,-2.3 -2,-0.6 2,-0.3 -0.872 29.2 157.2 -95.5 123.1 67.0 -35.4 198.3 61 67 A F E + H 0 149B 0 -12,-2.3 2,-0.3 -2,-0.6 88,-0.2 -0.997 14.3 168.6-150.1 151.9 63.6 -36.3 199.7 62 68 A K E - H 0 148B 29 86,-1.8 86,-2.5 -2,-0.3 2,-0.3 -0.984 22.8-134.3-160.2 157.6 59.9 -35.4 199.2 63 69 A I E + H 0 147B 0 -2,-0.3 2,-0.3 84,-0.3 84,-0.3 -0.806 23.8 177.5-113.8 153.7 56.4 -36.5 200.1 64 70 A E E - H 0 146B 32 82,-1.2 82,-3.7 -2,-0.3 2,-0.3 -0.989 20.7-132.6-154.7 154.3 53.5 -36.8 197.7 65 71 A S E - H 0 145B 14 -2,-0.3 80,-0.3 80,-0.3 388,-0.1 -0.831 11.6-172.9-112.3 152.3 49.9 -37.9 197.9 66 72 A A > + 0 0 5 78,-2.4 4,-2.3 -2,-0.3 5,-0.2 -0.319 41.6 137.7-132.2 41.9 48.1 -40.2 195.4 67 73 A N H > + 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.978 67.5 32.6 -56.3 -77.5 44.7 -39.5 197.0 68 74 A H H > S+ 0 0 139 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.897 120.4 52.4 -52.5 -46.4 42.1 -39.1 194.3 69 75 A P H >> S+ 0 0 63 0, 0.0 4,-3.0 0, 0.0 3,-1.4 0.984 113.6 44.5 -51.6 -58.7 43.9 -41.5 192.0 70 76 A S H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.812 102.5 63.0 -53.3 -42.2 43.9 -44.1 194.7 71 77 A A H 3< S+ 0 0 46 -4,-2.7 -1,-0.3 71,-0.2 -3,-0.1 0.842 118.4 31.9 -54.0 -32.0 40.3 -43.6 195.8 72 78 A I H << S+ 0 0 114 -3,-1.4 -2,-0.2 -4,-1.3 -1,-0.2 0.934 140.2 16.0 -86.5 -61.1 39.6 -44.8 192.2 73 79 A E X - 0 0 92 -4,-3.0 4,-3.8 -5,-0.2 5,-0.5 -0.771 66.0-176.6-118.2 81.5 42.4 -47.2 191.6 74 80 A P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.903 86.3 41.8 -42.2 -52.6 44.0 -48.1 195.0 75 81 A Y H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.961 124.2 32.8 -62.4 -59.0 46.6 -50.2 193.3 76 82 A N H > S+ 0 0 36 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.921 117.5 55.4 -68.2 -44.5 47.5 -48.1 190.4 77 83 A G H X S+ 0 0 4 -4,-3.8 4,-2.4 -8,-0.3 -2,-0.2 0.965 113.0 40.8 -51.4 -60.3 46.9 -44.8 192.2 78 84 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.5 -1,-0.2 0.925 116.8 49.0 -54.5 -51.1 49.4 -45.7 194.9 79 85 A A H X S+ 0 0 9 -4,-2.2 4,-3.2 -5,-0.3 -1,-0.2 0.915 111.3 49.8 -56.8 -45.6 51.9 -47.2 192.6 80 86 A T H X S+ 0 0 47 -4,-3.5 4,-3.0 1,-0.2 -1,-0.2 0.873 108.5 53.3 -61.4 -38.2 51.7 -44.2 190.3 81 87 A G H X S+ 0 0 6 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.921 111.1 47.2 -62.5 -42.7 52.2 -42.0 193.3 82 88 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.979 112.1 48.7 -60.3 -58.7 55.3 -44.0 194.1 83 89 A G H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.919 115.0 45.5 -47.2 -52.6 56.6 -43.9 190.6 84 90 A G H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.925 111.6 49.5 -59.5 -49.5 56.1 -40.1 190.4 85 91 A I H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.822 108.4 55.1 -61.5 -31.7 57.6 -39.3 193.8 86 92 A I H X S+ 0 0 0 -4,-2.5 4,-3.7 2,-0.2 -1,-0.2 0.897 106.7 50.5 -67.7 -41.2 60.7 -41.4 193.0 87 93 A R H X S+ 0 0 6 -4,-1.7 4,-3.8 -5,-0.3 5,-0.2 0.903 104.3 57.9 -63.8 -39.3 61.2 -39.3 189.8 88 94 A D H X S+ 0 0 25 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.897 115.3 37.6 -57.0 -39.0 60.9 -36.1 191.8 89 95 A V H ><>S+ 0 0 0 -4,-1.5 5,-1.3 2,-0.2 3,-1.0 0.920 115.5 52.0 -77.5 -46.0 63.8 -37.4 193.9 90 96 A L H ><5S+ 0 0 0 -4,-3.7 3,-2.1 1,-0.3 -2,-0.2 0.902 105.2 57.4 -55.5 -43.8 65.6 -39.0 191.0 91 97 A A H 3<5S+ 0 0 4 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 92.6 67.5 -59.6 -27.4 65.3 -35.6 189.1 92 98 A M T <<5S- 0 0 24 -3,-1.0 66,-1.4 -4,-0.5 -1,-0.3 0.472 122.8-110.6 -73.0 3.3 67.1 -34.0 192.0 93 99 A G T < 5S+ 0 0 4 -3,-2.1 2,-0.3 1,-0.3 60,-0.2 0.428 78.9 132.1 82.4 -0.5 70.0 -36.1 190.7 94 100 A A < - 0 0 0 -5,-1.3 -1,-0.3 58,-0.1 58,-0.2 -0.631 64.6-119.7 -87.3 140.4 69.8 -38.3 193.8 95 101 A R E -I 151 0B 149 56,-2.2 56,-1.5 -2,-0.3 2,-0.2 -0.706 37.7-116.1 -77.4 118.3 69.8 -42.1 193.6 96 102 A P E +I 150 0B 8 0, 0.0 54,-0.3 0, 0.0 3,-0.1 -0.403 45.1 167.8 -57.4 119.8 66.4 -43.0 195.1 97 103 A T E + 0 0 22 52,-3.1 2,-0.3 1,-0.3 53,-0.2 0.609 55.1 19.0-114.4 -14.8 67.4 -45.0 198.2 98 104 A A E -I 149 0B 0 51,-2.2 51,-2.3 27,-0.1 -1,-0.3 -0.874 53.7-153.3-165.5 129.5 64.2 -45.4 200.2 99 105 A I E -I 148 0B 0 27,-2.8 30,-0.6 -2,-0.3 29,-0.4 -0.679 15.4-173.6 -95.3 149.2 60.5 -45.1 199.9 100 106 A F E -Ij 147 129B 2 47,-3.5 47,-4.4 -2,-0.3 2,-0.4 -0.993 5.2-160.3-142.2 138.3 58.2 -44.2 202.8 101 107 A D E -Ij 146 130B 0 28,-1.0 30,-0.8 -2,-0.3 2,-0.5 -0.942 14.9-162.3-127.2 151.5 54.5 -44.2 202.8 102 108 A S E -Ij 145 131B 0 43,-3.5 43,-1.7 -2,-0.4 2,-0.4 -0.835 22.2-172.3-127.7 89.3 51.8 -42.6 205.0 103 109 A L E -Ij 144 132B 0 28,-2.4 30,-2.9 -2,-0.5 2,-0.4 -0.695 11.0-176.1 -91.9 136.5 48.6 -44.5 204.4 104 110 A H E +Ij 143 133B 0 39,-1.9 39,-2.9 -2,-0.4 2,-0.3 -0.955 24.0 147.2-131.3 107.8 45.3 -43.3 205.9 105 111 A M E - j 0 134B 0 28,-2.2 30,-2.5 -2,-0.4 34,-0.2 -0.926 58.4-121.5-141.7 165.1 42.4 -45.6 205.2 106 112 A S S S- 0 0 26 32,-0.5 2,-0.3 -2,-0.3 30,-0.1 0.489 100.7 -4.9 -82.4 -4.2 39.1 -46.8 206.7 107 113 A R S S- 0 0 137 26,-0.1 2,-1.4 28,-0.1 28,-0.1 -0.957 99.0 -64.8-171.3 175.1 40.5 -50.3 206.4 108 114 A I - 0 0 23 -2,-0.3 2,-1.3 -3,-0.1 3,-0.1 -0.646 49.7-165.7 -79.9 92.9 43.6 -52.2 205.1 109 115 A I >> - 0 0 13 -2,-1.4 4,-1.4 1,-0.2 3,-1.3 -0.679 4.8-165.3 -85.1 92.1 43.2 -51.6 201.4 110 116 A D H 3> S+ 0 0 55 -2,-1.3 4,-3.3 1,-0.3 5,-0.5 0.831 82.4 68.5 -44.5 -42.3 45.6 -54.2 200.0 111 117 A G H 3> S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.900 104.2 41.9 -46.0 -50.0 45.4 -52.4 196.6 112 118 A I H <> S+ 0 0 0 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.919 115.6 48.4 -64.8 -48.5 47.3 -49.5 198.0 113 119 A I H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.947 118.5 39.7 -59.1 -52.3 49.8 -51.5 200.1 114 120 A E H X S+ 0 0 58 -4,-3.3 4,-4.0 2,-0.2 5,-0.4 0.949 112.3 56.1 -64.6 -49.9 50.7 -53.8 197.2 115 121 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.5 5,-0.2 0.933 114.9 39.5 -46.7 -52.1 50.6 -51.0 194.6 116 122 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.951 119.9 47.2 -61.8 -50.3 53.2 -49.2 196.7 117 123 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.918 111.7 46.8 -58.6 -54.1 55.1 -52.4 197.5 118 124 A D H X S+ 0 0 42 -4,-4.0 4,-4.0 2,-0.2 5,-0.2 0.961 112.6 49.8 -55.7 -55.3 55.3 -53.9 194.0 119 125 A Y H X S+ 0 0 5 -4,-1.7 4,-2.4 -5,-0.4 5,-0.3 0.950 112.2 46.5 -48.1 -62.7 56.4 -50.7 192.3 120 126 A G H X>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-0.6 0.921 115.8 45.7 -48.2 -50.6 59.2 -50.1 194.8 121 127 A N H ><5S+ 0 0 59 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.958 110.0 54.9 -60.2 -47.9 60.4 -53.6 194.6 122 128 A S H 3<5S+ 0 0 41 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 113.9 40.3 -54.7 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39.0 -31.1 202.3 422 448 A D > - 0 0 45 39,-0.3 4,-2.3 34,-0.2 -1,-0.2 -0.671 53.0-168.5 -81.8 120.4 37.4 -28.2 200.4 423 449 A P T 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.800 85.4 61.3 -74.6 -33.8 39.3 -24.9 201.2 424 450 A D T 4 S+ 0 0 93 1,-0.2 -2,-0.1 2,-0.2 0, 0.0 0.818 113.2 38.1 -64.5 -29.5 36.6 -22.7 199.6 425 451 A V T 4 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.1 3,-0.2 0.934 133.3 23.2 -83.4 -57.0 34.2 -24.0 202.3 426 452 A D X + 0 0 66 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 -0.753 63.3 158.4-114.6 82.3 36.7 -24.2 205.2 427 453 A P H > S+ 0 0 56 0, 0.0 4,-1.7 0, 0.0 -107,-0.3 0.699 73.6 65.8 -74.0 -16.9 39.5 -21.8 204.4 428 454 A V H > S+ 0 0 73 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.951 95.9 48.4 -69.3 -55.1 40.1 -21.8 208.2 429 455 A G H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 111.7 53.2 -55.2 -37.4 41.2 -25.4 208.7 430 456 A L H X S+ 0 0 3 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.938 113.6 42.3 -63.2 -45.8 43.6 -24.9 205.8 431 457 A S H X S+ 0 0 2 -4,-1.7 4,-3.5 2,-0.2 5,-0.3 0.950 113.8 50.6 -64.9 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