==== 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 21-JUL-06 2HS4 . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.E.EALICK,M.MORAR . 602 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 18.6 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 . 2 0.3 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 . 51 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 25.4 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 4 2 2 0 1 0 2 1 0 1 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 0 1 2 3 1 4 2 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 1 2 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 K > 0 0 158 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -72.8 11.2 -22.5 125.9 2 3 A L H > + 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.808 360.0 59.3 -67.1 -30.5 8.9 -20.1 124.1 3 4 A R H > S+ 0 0 154 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.874 109.3 47.0 -63.3 -33.1 10.3 -17.2 126.3 4 5 A Y H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.843 101.3 62.6 -76.2 -36.2 13.6 -18.3 124.7 5 6 A L H X S+ 0 0 41 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.867 103.6 50.4 -57.9 -38.1 12.3 -18.5 121.1 6 7 A N H X S+ 0 0 78 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.942 108.8 50.8 -64.9 -48.3 11.6 -14.7 121.3 7 8 A I H X S+ 0 0 47 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.902 111.4 49.5 -56.4 -41.2 15.1 -14.0 122.6 8 9 A L H X S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 6,-0.3 0.932 110.0 50.1 -64.7 -44.0 16.4 -16.1 119.7 9 10 A K H X>S+ 0 0 68 -4,-2.6 4,-1.2 1,-0.2 5,-0.8 0.893 110.8 49.5 -61.9 -38.5 14.3 -14.2 117.2 10 11 A E H <5S+ 0 0 156 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.945 115.4 42.9 -65.0 -47.3 15.5 -10.8 118.5 11 12 A K H <5S+ 0 0 153 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.7 47.9 -64.8 -44.4 19.1 -11.8 118.4 12 13 A L H <5S- 0 0 25 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.690 102.3-133.2 -71.8 -18.4 18.9 -13.5 115.0 13 14 A G T <5S+ 0 0 66 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.637 78.8 25.8 74.6 12.5 17.0 -10.5 113.6 14 15 A R S - 0 0 67 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.299 39.2 -91.9 -82.1 173.1 15.4 -22.0 109.7 18 19 A F H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 128.6 42.0 -52.2 -48.5 14.5 -25.6 110.4 19 20 A V H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.783 109.8 57.4 -71.6 -29.9 18.1 -26.5 111.3 20 21 A E H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.925 109.3 47.0 -66.8 -41.1 18.6 -23.4 113.3 21 22 A L H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.961 112.0 48.6 -61.7 -54.7 15.6 -24.4 115.4 22 23 A Q H X S+ 0 0 33 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.921 113.0 49.4 -50.8 -49.9 16.8 -28.0 115.9 23 24 A A H >X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 3,-0.9 0.909 114.6 40.6 -58.7 -52.0 20.3 -26.8 116.8 24 25 A F H 3X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.779 104.3 67.8 -71.1 -24.9 19.3 -24.2 119.4 25 26 A S H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.771 111.1 36.9 -63.5 -22.5 16.6 -26.6 120.7 26 27 A V H X< S+ 0 0 0 -3,-0.9 3,-1.4 -4,-0.7 6,-0.5 0.914 119.5 43.8 -90.7 -58.1 19.6 -28.6 121.9 27 28 A M H 3< S+ 0 0 5 -4,-2.3 312,-0.2 1,-0.3 -2,-0.2 0.745 119.5 42.7 -61.3 -29.5 22.1 -25.9 122.9 28 29 A W T 3< S+ 0 0 20 -4,-2.6 -1,-0.3 -5,-0.2 7,-0.1 0.305 88.1 113.3-101.6 7.6 19.6 -23.9 124.8 29 30 A S S X> S- 0 0 13 -3,-1.4 4,-4.1 -5,-0.1 3,-0.8 -0.492 84.0-111.3 -74.1 151.0 17.9 -26.9 126.4 30 31 A E H 3> S+ 0 0 19 1,-0.3 4,-1.7 3,-0.2 7,-0.1 0.871 117.3 59.4 -52.9 -37.3 18.4 -27.0 130.2 31 32 A H H 34 S+ 0 0 58 158,-0.5 -1,-0.3 1,-0.2 447,-0.2 0.888 122.4 20.7 -60.2 -41.0 20.6 -30.0 129.8 32 33 A C H <4 S+ 0 0 26 -3,-0.8 -2,-0.2 -6,-0.5 -1,-0.2 0.772 131.3 43.0 -98.1 -30.9 23.1 -28.2 127.5 33 34 A G H < S- 0 0 3 -4,-4.1 306,-0.4 -7,-0.3 -3,-0.2 0.804 77.7-154.8 -86.7 -33.8 22.4 -24.5 128.4 34 35 A Y X + 0 0 51 -4,-1.7 4,-2.2 -5,-0.5 3,-0.4 0.858 27.2 165.4 59.1 39.2 22.0 -24.6 132.3 35 36 A S T 4 S+ 0 0 1 1,-0.2 307,-2.1 2,-0.2 4,-0.3 0.871 72.2 41.8 -52.3 -44.3 19.7 -21.5 132.3 36 37 A H T 4 S+ 0 0 24 305,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.727 122.1 36.3 -80.4 -23.4 18.5 -22.1 135.8 37 38 A T T > S+ 0 0 1 -3,-0.4 4,-2.7 -7,-0.1 5,-0.3 0.615 86.9 93.8-105.8 -15.1 21.8 -23.1 137.5 38 39 A K H X S+ 0 0 43 -4,-2.2 4,-1.3 1,-0.2 -2,-0.1 0.868 91.1 42.7 -46.1 -51.0 24.5 -20.9 135.7 39 40 A K H > S+ 0 0 48 -4,-0.3 4,-1.3 303,-0.3 -1,-0.2 0.897 114.6 50.2 -67.3 -39.9 24.4 -18.1 138.3 40 41 A Y H >4 S+ 0 0 15 -4,-0.2 3,-0.8 1,-0.2 4,-0.4 0.953 108.8 51.3 -61.6 -51.6 24.4 -20.5 141.3 41 42 A I H >< S+ 0 0 56 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.816 105.8 57.3 -54.4 -34.5 27.3 -22.5 140.1 42 43 A R H 3< S+ 0 0 143 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.864 99.9 57.6 -66.4 -37.1 29.2 -19.3 139.6 43 44 A R T << S+ 0 0 117 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.533 90.0 98.5 -70.1 -7.7 28.8 -18.5 143.2 44 45 A L S < S- 0 0 10 -3,-1.1 2,-0.3 -4,-0.4 419,-0.1 -0.575 83.3-111.3 -84.7 144.5 30.4 -21.8 144.2 45 46 A P - 0 0 44 0, 0.0 428,-3.1 0, 0.0 2,-0.2 -0.595 41.8-163.1 -74.4 131.7 34.2 -21.9 145.2 46 47 A K B +a 473 0A 68 -2,-0.3 2,-0.3 426,-0.2 428,-0.2 -0.537 17.0 169.6-111.2 179.5 36.2 -23.7 142.5 47 48 A T + 0 0 55 426,-0.7 8,-0.1 1,-0.4 391,-0.0 -0.948 40.5 41.5-175.4 166.4 39.7 -25.4 142.1 48 49 A G S S- 0 0 36 -2,-0.3 -1,-0.4 6,-0.1 8,-0.2 0.615 99.4 -55.4 57.5 141.3 41.7 -27.5 139.8 49 50 A F - 0 0 82 6,-0.3 6,-2.3 5,-0.1 2,-0.9 -0.239 59.2-151.5 -48.2 112.8 41.8 -27.2 136.0 50 51 A E + 0 0 108 4,-0.2 2,-0.3 3,-0.1 -1,-0.1 -0.808 37.0 144.8 -98.6 102.0 38.1 -27.4 135.1 51 52 A G S S- 0 0 3 -2,-0.9 3,-0.2 113,-0.1 112,-0.1 -0.763 86.3 -58.7-138.1 88.0 37.8 -28.9 131.6 52 53 A N S S+ 0 0 35 -2,-0.3 44,-0.1 1,-0.2 183,-0.1 0.737 142.6 36.5 42.1 31.5 34.7 -31.1 131.4 53 54 A A S S- 0 0 2 421,-0.2 13,-0.3 -4,-0.1 -1,-0.2 0.185 95.4-130.4-166.7 -52.6 36.2 -33.2 134.2 54 55 A G - 0 0 0 -5,-0.3 12,-1.9 -3,-0.2 2,-0.4 0.736 19.5-148.2 83.5 107.2 38.1 -31.1 136.7 55 56 A V E -F 65 0B 5 -6,-2.3 2,-0.4 10,-0.2 -6,-0.3 -0.866 7.8-161.7-112.0 145.7 41.6 -32.3 137.6 56 57 A V E -F 64 0B 17 8,-2.4 8,-2.7 -2,-0.4 2,-0.1 -0.992 21.2-122.1-130.3 127.6 43.4 -31.9 141.0 57 58 A N E +F 63 0B 64 -2,-0.4 6,-0.3 6,-0.3 -9,-0.0 -0.378 28.6 175.2 -66.2 139.2 47.1 -32.2 141.6 58 59 A L S S- 0 0 10 4,-2.8 5,-0.2 -2,-0.1 -1,-0.1 0.782 78.4 -4.4-111.4 -48.9 48.2 -34.9 144.0 59 60 A D S S- 0 0 54 3,-1.4 4,-0.1 338,-0.1 -2,-0.1 0.147 94.7-104.4-135.1 16.3 52.0 -35.0 144.1 60 61 A D S S+ 0 0 113 2,-0.6 3,-0.1 1,-0.1 99,-0.1 0.113 119.7 64.0 78.8 -22.4 53.0 -32.4 141.4 61 62 A Y S S+ 0 0 161 1,-0.2 98,-1.3 97,-0.1 99,-0.4 0.698 110.8 28.1-100.2 -25.6 53.8 -35.4 139.1 62 63 A Y E - G 0 158B 68 96,-0.3 -4,-2.8 97,-0.1 -3,-1.4 -0.967 61.8-170.5-137.3 151.1 50.3 -36.7 138.9 63 64 A S E -FG 57 157B 4 94,-2.7 94,-2.6 -2,-0.3 2,-0.5 -0.965 22.2-124.9-137.2 153.6 46.8 -35.4 139.2 64 65 A V E -FG 56 156B 0 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.6 -0.876 14.2-155.3-103.6 131.1 43.4 -37.1 139.5 65 66 A A E +FG 55 155B 0 90,-2.8 90,-2.6 -2,-0.5 2,-0.4 -0.925 26.1 165.3-104.2 116.4 40.7 -36.2 137.0 66 67 A F E + G 0 154B 0 -12,-1.9 2,-0.3 -2,-0.6 88,-0.2 -0.996 6.2 160.6-136.7 143.4 37.3 -36.9 138.5 67 68 A K E - G 0 153B 17 86,-1.4 86,-1.7 -2,-0.4 2,-0.4 -0.989 24.2-142.5-157.6 149.1 33.7 -35.9 137.5 68 69 A I E + G 0 152B 1 -2,-0.3 2,-0.2 84,-0.2 84,-0.2 -0.976 24.4 163.5-123.3 130.2 30.1 -37.0 138.2 69 70 A E E - G 0 151B 48 82,-1.6 82,-2.0 -2,-0.4 2,-0.3 -0.688 21.0-138.4-127.4-177.5 27.4 -37.0 135.6 70 71 A S E - G 0 150B 20 -2,-0.2 80,-0.2 80,-0.2 408,-0.1 -0.941 16.5-159.7-145.0 164.8 24.0 -38.6 135.5 71 72 A H > + 0 0 34 78,-2.1 4,-1.1 -2,-0.3 15,-0.1 -0.490 40.3 141.7-143.8 62.7 21.7 -40.4 133.1 72 73 A N H > + 0 0 4 2,-0.2 4,-1.2 3,-0.1 3,-0.2 0.986 67.5 42.9 -73.1 -64.1 18.3 -40.1 134.8 73 74 A H H >> S+ 0 0 2 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.906 115.6 50.6 -54.2 -43.9 15.7 -39.5 132.0 74 75 A P H >> S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.910 109.0 52.1 -60.9 -41.3 17.2 -42.2 129.8 75 76 A S H 3< S+ 0 0 2 -4,-1.1 -2,-0.2 7,-0.3 -3,-0.1 0.677 98.8 62.5 -70.7 -20.1 17.2 -44.8 132.6 76 77 A A H << S+ 0 0 37 -4,-1.2 -1,-0.2 -3,-0.6 -3,-0.1 0.813 116.5 31.8 -74.3 -27.5 13.6 -44.3 133.5 77 78 A I H << S+ 0 0 40 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.773 137.5 18.1 -99.0 -32.3 12.6 -45.5 130.0 78 79 A E X - 0 0 44 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 -0.581 66.8-177.7-141.1 76.2 15.5 -48.0 129.2 79 80 A P H > S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.832 79.9 46.9 -41.2 -50.7 17.2 -49.1 132.4 80 81 A Y H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.989 121.8 32.0 -61.0 -63.3 19.9 -51.3 130.8 81 82 A N H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.728 116.3 58.8 -67.5 -25.1 21.0 -49.0 127.9 82 83 A G H X S+ 0 0 0 -4,-3.0 4,-1.0 -8,-0.2 -7,-0.3 0.870 111.0 40.1 -72.9 -37.6 20.4 -45.9 129.9 83 84 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.951 115.6 49.8 -74.9 -51.8 22.8 -46.9 132.7 84 85 A A H >X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.3 3,-0.8 0.962 112.0 47.8 -48.9 -61.1 25.5 -48.4 130.5 85 86 A T H 3X S+ 0 0 1 -4,-1.6 4,-3.0 123,-0.3 -1,-0.3 0.819 105.6 60.1 -51.7 -35.3 25.6 -45.4 128.2 86 87 A G H 3X S+ 0 0 10 -4,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.927 108.6 44.0 -59.6 -43.6 25.8 -43.2 131.3 87 88 A V H <>S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 5,-1.1 0.878 115.6 51.0 -69.4 -38.0 37.6 -38.2 132.2 95 96 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.845 97.8 69.2 -66.6 -32.7 39.5 -39.6 129.3 96 97 A A T 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.389 92.2 60.5 -68.4 4.2 39.1 -36.3 127.4 97 98 A M T < 5S- 0 0 0 -3,-1.2 66,-2.0 2,-0.1 -1,-0.3 0.399 125.1 -98.8-109.3 -1.8 41.5 -34.7 129.9 98 99 A G T < 5S+ 0 0 4 -3,-2.2 60,-0.3 1,-0.3 2,-0.2 0.471 81.3 141.1 94.3 6.6 44.3 -37.0 129.0 99 100 A A < - 0 0 0 -5,-1.1 -1,-0.3 58,-0.1 58,-0.2 -0.497 55.5-126.7 -86.2 151.9 43.5 -39.2 132.0 100 101 A R E -H 156 0B 141 56,-2.5 56,-1.5 -2,-0.2 2,-0.2 -0.866 33.6-118.5 -96.3 111.9 43.6 -43.0 132.2 101 102 A P E +H 155 0B 13 0, 0.0 54,-0.3 0, 0.0 3,-0.1 -0.340 47.5 160.0 -54.3 115.4 40.2 -44.2 133.5 102 103 A T E + 0 0 27 52,-2.5 2,-0.3 1,-0.3 53,-0.2 0.515 53.3 24.7-118.7 -10.0 41.0 -46.0 136.8 103 104 A A E -H 154 0B 1 51,-1.6 51,-2.9 27,-0.1 2,-0.4 -0.921 48.5-163.3-164.6 137.1 37.8 -46.1 138.8 104 105 A I E -Hi 153 132B 1 27,-2.4 29,-2.4 -2,-0.3 30,-0.5 -0.906 11.3-172.2-116.5 144.4 34.0 -46.1 138.5 105 106 A F E -H 152 0B 8 47,-2.6 47,-3.4 -2,-0.4 2,-0.3 -0.996 10.3-151.3-139.6 127.2 31.7 -45.3 141.4 106 107 A D E -Hi 151 135B 1 28,-1.8 30,-0.8 -2,-0.4 2,-0.3 -0.723 11.8-170.2-104.8 154.5 27.9 -45.7 141.2 107 108 A S E -Hi 150 136B 1 43,-2.1 43,-1.7 -2,-0.3 2,-0.3 -0.761 16.6-174.9-142.0 92.8 25.1 -43.9 143.1 108 109 A L E -Hi 149 137B 2 28,-2.4 30,-2.9 -2,-0.3 2,-0.4 -0.706 15.2-175.6 -99.1 142.8 21.7 -45.5 142.6 109 110 A H E +Hi 148 138B 0 39,-1.5 39,-1.9 -2,-0.3 2,-0.3 -0.881 28.0 146.0-134.9 98.5 18.3 -44.2 143.8 110 111 A M E - i 0 139B 1 28,-1.4 30,-2.1 -2,-0.4 34,-0.2 -0.833 55.2-128.7-132.0 168.4 15.5 -46.6 143.0 111 112 A S S S- 0 0 45 32,-0.3 2,-0.3 -2,-0.3 30,-0.1 0.431 98.8 -0.9 -94.4 -3.5 12.1 -47.9 144.4 112 113 A R S S- 0 0 144 28,-0.1 2,-1.2 249,-0.0 -1,-0.1 -0.920 99.0 -73.0-167.6 174.4 13.3 -51.5 143.9 113 114 A I - 0 0 25 -2,-0.3 2,-1.0 -3,-0.1 3,-0.1 -0.712 44.9-159.9 -87.4 97.8 16.4 -53.2 142.6 114 115 A I >> - 0 0 26 -2,-1.2 4,-1.5 1,-0.2 3,-0.7 -0.677 1.9-159.8 -79.0 105.7 16.2 -52.7 138.9 115 116 A D H 3> S+ 0 0 62 -2,-1.0 4,-3.0 1,-0.2 5,-0.3 0.917 84.9 63.1 -51.2 -50.0 18.4 -55.4 137.5 116 117 A G H 3> S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.829 103.6 46.5 -44.0 -46.7 18.9 -53.7 134.2 117 118 A I H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.922 113.4 49.1 -65.3 -46.3 20.6 -50.6 135.7 118 119 A I H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.955 118.0 39.4 -58.9 -51.5 22.9 -52.8 137.8 119 120 A E H X S+ 0 0 57 -4,-3.0 4,-3.8 2,-0.2 5,-0.4 0.905 108.3 60.3 -67.2 -43.6 23.9 -54.9 134.9 120 121 A G H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.3 -1,-0.2 0.895 113.7 39.4 -51.0 -43.1 24.1 -52.2 132.3 121 122 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.945 117.0 47.5 -72.0 -51.9 26.7 -50.5 134.5 122 123 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.924 113.6 48.5 -57.4 -47.3 28.6 -53.7 135.5 123 124 A D H X S+ 0 0 43 -4,-3.8 4,-2.6 1,-0.2 -1,-0.2 0.909 114.2 45.4 -61.7 -43.5 28.7 -55.0 131.9 124 125 A Y H X S+ 0 0 7 -4,-1.5 4,-1.5 -5,-0.4 -2,-0.2 0.928 114.8 44.8 -68.6 -45.9 30.0 -51.8 130.5 125 126 A G H X>S+ 0 0 1 -4,-2.7 5,-2.6 1,-0.2 4,-0.6 0.803 115.9 52.3 -67.1 -25.6 32.6 -51.1 133.1 126 127 A N H <5S+ 0 0 56 -4,-1.7 3,-0.4 -5,-0.3 -2,-0.2 0.917 106.8 48.3 -75.1 -47.7 33.5 -54.8 132.7 127 128 A S H <5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.786 115.8 45.5 -65.8 -28.0 34.0 -54.9 128.9 128 129 A I H <5S- 0 0 9 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.597 112.1-120.8 -90.6 -12.2 36.1 -51.7 129.0 129 130 A G T <5 + 0 0 58 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.860 66.1 131.6 78.5 37.1 38.2 -53.0 131.9 130 131 A V < - 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