==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-98 1QPR . COMPND 2 MOLECULE: QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR V.SHARMA,C.GRUBMEYER,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS . 1704 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1259 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 8.5 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 . 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 . 2 0.1 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 . 119 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 6 5 7 12 0 0 4 10 4 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 6 1 17 6 6 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 6 0 6 6 0 6 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 . 6 0 6 0 0 6 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 G 0 0 96 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.2 -5.1 24.0 33.0 2 3 A L - 0 0 20 1,-0.1 2,-0.1 4,-0.1 0, 0.0 -0.513 360.0-134.7 -78.5 142.1 -7.3 23.5 30.0 3 4 A S > - 0 0 50 -2,-0.2 4,-2.7 1,-0.0 5,-0.2 -0.275 34.5 -88.8 -82.1-177.7 -11.1 23.2 30.7 4 5 A D H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.893 125.9 40.4 -62.1 -47.9 -13.3 20.5 29.2 5 6 A W H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.846 116.1 51.1 -75.9 -28.9 -14.3 22.4 26.0 6 7 A E H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.912 111.0 50.1 -69.7 -39.4 -10.8 23.8 25.6 7 8 A L H X S+ 0 0 51 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.882 111.0 47.4 -64.9 -41.4 -9.5 20.2 25.9 8 9 A A H X S+ 0 0 60 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.788 113.1 50.1 -69.7 -31.3 -11.9 18.9 23.4 9 10 A A H X S+ 0 0 18 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.0 49.1 -72.1 -45.1 -10.9 21.8 21.1 10 11 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.973 110.8 51.3 -60.2 -48.9 -7.2 21.1 21.6 11 12 A R H X S+ 0 0 109 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.884 110.7 48.2 -55.7 -42.3 -7.8 17.5 20.7 12 13 A A H X S+ 0 0 37 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.891 113.3 47.9 -66.3 -38.5 -9.7 18.4 17.6 13 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.951 111.2 48.7 -68.8 -46.3 -7.0 20.8 16.6 14 15 A I H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.912 111.4 51.6 -61.6 -38.2 -4.1 18.3 17.2 15 16 A A H X S+ 0 0 46 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.913 110.5 46.9 -63.9 -43.8 -6.1 15.7 15.2 16 17 A R H X S+ 0 0 53 -4,-2.1 4,-1.8 2,-0.2 412,-0.3 0.907 112.3 52.9 -65.0 -38.1 -6.6 18.0 12.2 17 18 A G H X S+ 0 0 3 -4,-2.9 4,-1.4 410,-0.2 3,-0.3 0.966 110.6 44.4 -60.1 -51.9 -2.9 18.9 12.5 18 19 A L H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.871 109.4 56.8 -62.3 -38.5 -1.7 15.3 12.4 19 20 A D H X S+ 0 0 96 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.907 103.3 54.1 -62.4 -36.3 -4.0 14.4 9.6 20 21 A E H < S+ 0 0 13 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.888 113.3 43.3 -63.9 -36.0 -2.5 17.2 7.4 21 22 A D H < S+ 0 0 0 -4,-1.4 428,-2.6 427,-0.2 429,-0.8 0.829 120.9 38.5 -76.1 -34.8 1.0 15.7 8.0 22 23 A L H >< S+ 0 0 66 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.554 86.7 91.1 -98.0 -7.2 0.1 12.1 7.5 23 24 A R T 3< S+ 0 0 109 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.614 87.5 51.6 -68.7 -8.9 -2.4 12.2 4.7 24 25 A Y T 3 S- 0 0 60 1,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.426 128.4 -63.7-105.0 2.1 0.2 11.8 2.0 25 26 A G S < S- 0 0 27 -3,-1.6 425,-0.5 2,-0.0 -1,-0.5 -0.712 72.0 -53.8 137.4 172.7 1.9 8.7 3.5 26 27 A P S S- 0 0 82 0, 0.0 2,-2.5 0, 0.0 3,-0.2 -0.173 71.4 -76.6 -76.2 175.9 3.8 8.0 6.7 27 28 A D >> + 0 0 7 1,-0.2 4,-2.0 2,-0.1 3,-0.5 -0.459 56.9 179.7 -72.0 81.1 6.8 9.9 8.0 28 29 A V H 3> S+ 0 0 22 -2,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.865 72.9 52.8 -55.0 -40.1 9.1 8.2 5.5 29 30 A T H 3> S+ 0 0 1 420,-0.4 4,-1.7 423,-0.2 -1,-0.2 0.864 111.9 45.4 -69.1 -32.1 12.3 10.0 6.6 30 31 A T H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.893 111.4 51.2 -75.5 -43.2 11.8 9.0 10.3 31 32 A L H < S+ 0 0 74 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.0 44.6 -61.0 -40.2 11.0 5.4 9.6 32 33 A A H < S+ 0 0 33 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.858 121.8 35.0 -73.9 -37.6 14.1 5.1 7.5 33 34 A T H < S+ 0 0 13 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.785 113.5 50.9 -90.8 -30.3 16.5 7.0 9.8 34 35 A V S < S- 0 0 2 -4,-2.9 -1,-0.1 -5,-0.2 2,-0.1 -0.925 75.7-128.3-119.6 132.4 15.4 6.0 13.3 35 36 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 62,-0.4 -0.402 23.9-116.0 -69.0 155.6 14.8 2.6 14.8 36 37 A A T 3 S+ 0 0 57 1,-0.3 61,-0.1 -2,-0.1 60,-0.1 0.804 114.9 54.1 -63.1 -28.8 11.6 1.6 16.6 37 38 A S T 3 S+ 0 0 111 58,-0.1 -1,-0.3 59,-0.1 2,-0.0 0.469 82.1 122.8 -85.8 -2.3 13.4 1.0 19.8 38 39 A A < + 0 0 21 -3,-1.9 58,-1.4 57,-0.1 2,-0.3 -0.335 36.3 178.2 -62.5 143.9 15.0 4.5 19.8 39 40 A T E +A 95 0A 92 56,-0.3 2,-0.3 57,-0.1 56,-0.2 -0.992 0.9 174.3-148.3 137.9 14.4 6.7 22.8 40 41 A T E -A 94 0A 34 54,-2.3 54,-2.7 -2,-0.3 2,-0.5 -0.919 33.4-120.2-139.9 173.0 15.7 10.1 23.6 41 42 A T E +A 93 0A 69 -2,-0.3 2,-0.3 52,-0.2 52,-0.3 -0.925 41.2 178.4-111.9 127.4 15.4 12.9 26.0 42 43 A A E -A 92 0A 1 50,-2.2 50,-2.7 -2,-0.5 2,-0.4 -0.917 15.7-153.1-132.1 158.7 14.2 16.1 24.2 43 44 A S E -AB 91 283A 24 240,-1.9 240,-3.1 -2,-0.3 2,-0.7 -0.991 16.2-137.4-134.4 143.8 13.4 19.6 25.3 44 45 A L E -AB 90 282A 0 46,-2.3 45,-2.8 -2,-0.4 46,-1.0 -0.919 38.8-179.7 -93.2 117.9 11.1 22.2 23.9 45 46 A V E -AB 88 281A 8 236,-2.7 236,-2.5 -2,-0.7 2,-0.3 -0.982 25.9-120.4-126.1 140.2 13.3 25.3 24.2 46 47 A T E - B 0 280A 0 41,-1.9 40,-3.5 -2,-0.4 234,-0.3 -0.551 8.7-162.5 -76.4 136.8 12.5 28.9 23.2 47 48 A R S S+ 0 0 56 232,-3.3 1319,-0.3 -2,-0.3 2,-0.3 0.563 82.1 29.5 -87.4 -10.5 14.7 30.6 20.7 48 49 A E S S- 0 0 49 231,-0.8 39,-0.2 36,-0.2 2,-0.2 -0.877 89.3 -92.7-143.8 169.6 13.2 33.9 22.0 49 50 A A + 0 0 43 -2,-0.3 2,-0.3 36,-0.1 230,-0.1 -0.548 63.0 104.3 -84.4 153.0 11.8 35.6 25.1 50 51 A G E -D 83 0B 0 33,-2.4 33,-3.9 -2,-0.2 2,-0.4 -0.978 68.1 -62.6 165.8-171.3 8.1 35.6 25.8 51 52 A V E -D 82 0B 5 63,-0.5 67,-0.4 -2,-0.3 2,-0.3 -0.882 48.2-129.8-108.3 135.5 5.2 34.1 27.9 52 53 A V + 0 0 0 29,-2.2 28,-4.3 -2,-0.4 2,-0.3 -0.716 34.3 158.5 -91.1 140.0 4.5 30.4 27.5 53 54 A A + 0 0 0 57,-0.4 61,-0.2 -2,-0.3 62,-0.1 -0.976 51.4 39.7-157.3 140.4 1.0 29.0 26.9 54 55 A G >> + 0 0 1 -2,-0.3 4,-0.9 59,-0.1 3,-0.7 0.567 58.1 137.0 98.8 9.6 -0.2 25.7 25.5 55 56 A L H >> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.852 72.4 57.8 -57.5 -35.2 2.2 23.3 27.0 56 57 A D H 3> S+ 0 0 37 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.863 98.8 60.0 -64.3 -33.1 -0.7 20.9 27.8 57 58 A V H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.838 101.1 54.6 -63.0 -30.3 -1.5 20.8 24.1 58 59 A A H X S+ 0 0 21 -4,-1.6 4,-2.9 1,-0.2 3,-0.5 0.948 109.0 53.4 -59.3 -45.2 1.3 16.7 25.9 60 61 A L H 3X S+ 0 0 15 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.829 106.3 54.1 -60.6 -30.8 -2.0 16.0 24.2 61 62 A T H 3X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.858 110.2 46.0 -71.0 -34.8 -0.2 15.7 20.9 62 63 A L H S+ 0 0 0 -4,-1.6 4,-3.8 -3,-0.5 5,-1.2 0.897 108.4 55.1 -73.8 -41.3 2.2 13.1 22.4 63 64 A N H X5S+ 0 0 40 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.936 111.1 47.5 -55.8 -42.2 -0.7 11.1 23.9 64 65 A E H <5S+ 0 0 110 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.867 123.1 31.1 -68.4 -36.9 -2.2 11.0 20.5 65 66 A V H <5S+ 0 0 46 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.850 138.4 17.5 -91.1 -37.2 1.1 9.9 18.8 66 67 A L H <5S- 0 0 27 -4,-3.8 -3,-0.2 -5,-0.1 -2,-0.2 0.535 103.5-120.9-110.3 -14.5 2.8 7.8 21.5 67 68 A G ><< - 0 0 30 -5,-1.2 3,-2.7 -4,-1.0 4,-0.3 0.180 40.1 -71.4 82.7 152.2 -0.1 7.1 23.9 68 69 A T G > S+ 0 0 95 1,-0.3 3,-0.8 -5,-0.2 -1,-0.2 0.838 136.1 44.8 -45.4 -45.6 -0.1 8.1 27.5 69 70 A N G 3 S+ 0 0 167 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.078 91.8 88.9 -90.9 24.1 2.6 5.5 28.5 70 71 A G G < S+ 0 0 23 -3,-2.7 25,-1.1 1,-0.1 2,-0.3 0.556 92.8 21.6 -97.9 -5.4 4.7 6.4 25.5 71 72 A Y E < -C 94 0A 44 -3,-0.8 2,-0.4 -4,-0.3 23,-0.2 -0.948 60.3-138.2-153.8 170.5 6.7 9.1 27.2 72 73 A R E -C 93 0A 139 21,-2.6 21,-2.3 -2,-0.3 2,-0.8 -1.000 14.2-142.0-139.8 129.2 7.9 10.7 30.4 73 74 A V E -C 92 0A 52 -2,-0.4 19,-0.3 19,-0.2 3,-0.1 -0.841 17.3-179.8 -92.1 107.1 8.0 14.3 31.4 74 75 A L E - 0 0 64 17,-2.2 2,-0.3 -2,-0.8 18,-0.2 0.814 69.7 -7.0 -75.6 -30.4 11.2 14.9 33.4 75 76 A D E +C 91 0A 110 16,-1.7 16,-3.1 2,-0.0 2,-0.3 -0.981 61.7 179.4-165.7 149.9 10.5 18.6 33.8 76 77 A R E -C 90 0A 63 -2,-0.3 14,-0.2 14,-0.3 2,-0.2 -0.995 22.0-130.8-155.3 155.1 8.1 21.4 32.7 77 78 A V - 0 0 33 12,-2.5 2,-0.3 -2,-0.3 12,-0.0 -0.536 38.7-102.8 -98.1 164.7 7.4 25.0 33.2 78 79 A E > - 0 0 133 -2,-0.2 3,-1.5 1,-0.1 -26,-0.2 -0.679 38.1 -98.2 -91.6 148.8 4.0 26.3 34.0 79 80 A D T 3 S+ 0 0 33 -2,-0.3 -26,-0.2 1,-0.3 3,-0.1 -0.461 112.3 34.8 -62.1 135.3 1.7 28.0 31.4 80 81 A G T 3 S+ 0 0 33 -28,-4.3 -1,-0.3 1,-0.3 2,-0.2 0.457 82.6 145.8 96.4 5.0 2.0 31.7 31.8 81 82 A A < - 0 0 29 -3,-1.5 -29,-2.2 -29,-0.3 2,-0.6 -0.552 51.7-127.5 -78.6 135.7 5.7 31.7 32.7 82 83 A R E -D 51 0B 154 -2,-0.2 -31,-0.2 -31,-0.2 -1,-0.1 -0.779 39.3-167.6 -80.4 128.9 7.7 34.6 31.5 83 84 A V E -D 50 0B 6 -33,-3.9 -33,-2.4 -2,-0.6 3,-0.1 -0.900 18.0-141.5-134.5 141.2 10.6 33.0 29.8 84 85 A P > - 0 0 48 0, 0.0 3,-1.4 0, 0.0 -38,-0.3 -0.416 45.7 -74.2 -87.7 170.4 14.1 34.0 28.4 85 86 A P T 3 S+ 0 0 28 0, 0.0 -38,-0.2 0, 0.0 -36,-0.1 -0.427 118.8 22.7 -66.3 142.2 15.8 32.8 25.2 86 87 A G T 3 S+ 0 0 1 -40,-3.5 2,-0.2 1,-0.3 -39,-0.1 0.538 85.6 146.0 80.5 5.9 17.2 29.3 25.5 87 88 A E < - 0 0 58 -3,-1.4 -41,-1.9 -39,-0.2 2,-0.8 -0.547 50.5-128.0 -77.3 141.1 14.9 28.3 28.3 88 89 A A E -A 45 0A 29 -43,-0.2 -43,-0.3 -2,-0.2 3,-0.2 -0.829 22.7-173.5 -93.3 108.2 13.7 24.6 28.4 89 90 A L E S- 0 0 0 -45,-2.8 -12,-2.5 -2,-0.8 2,-0.3 0.782 71.3 -2.0 -72.0 -31.9 9.9 24.7 28.6 90 91 A M E -AC 44 76A 1 -46,-1.0 -46,-2.3 -14,-0.2 2,-0.5 -0.930 60.3-152.4-162.5 135.2 9.6 21.0 29.0 91 92 A T E +AC 43 75A 29 -16,-3.1 -17,-2.2 -2,-0.3 -16,-1.7 -0.982 24.5 178.9-114.5 122.1 12.0 18.0 29.1 92 93 A L E -AC 42 73A 1 -50,-2.7 -50,-2.2 -2,-0.5 2,-0.4 -0.763 25.8-148.8-117.9 169.1 10.6 14.6 27.9 93 94 A E E +AC 41 72A 65 -21,-2.3 -21,-2.6 -52,-0.3 2,-0.3 -0.996 43.0 138.5-136.5 119.4 11.9 11.1 27.5 94 95 A A E -AC 40 71A 4 -54,-2.7 -54,-2.3 -2,-0.4 -23,-0.2 -0.994 59.3 -66.9-160.0 166.8 10.1 9.3 24.7 95 96 A Q E > -A 39 0A 66 -25,-1.1 4,-1.6 -2,-0.3 -56,-0.3 -0.387 46.0-137.8 -58.5 129.4 10.3 7.0 21.7 96 97 A T H > S+ 0 0 6 -58,-1.4 4,-2.2 1,-0.2 3,-0.3 0.928 98.1 56.0 -60.1 -46.7 12.2 9.0 19.1 97 98 A R H > S+ 0 0 65 -62,-0.4 4,-1.3 -59,-0.3 -1,-0.2 0.895 108.3 48.9 -55.0 -41.4 10.0 8.0 16.2 98 99 A G H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 109.9 51.1 -66.7 -40.2 6.9 9.4 17.9 99 100 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 -3,-0.3 -2,-0.2 0.910 108.4 50.5 -61.7 -48.5 8.6 12.7 18.8 100 101 A L H < S+ 0 0 12 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.781 113.3 45.9 -64.0 -28.6 9.8 13.4 15.3 101 102 A T H < S+ 0 0 21 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.2 0.866 118.5 40.9 -81.2 -39.9 6.4 12.8 13.9 102 103 A A H >X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 3,-0.6 0.804 93.8 91.0 -73.9 -35.6 4.5 14.8 16.5 103 104 A E H 3X S+ 0 0 21 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.761 85.6 42.5 -28.3 -62.8 7.1 17.6 16.6 104 105 A R H 3> S+ 0 0 26 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.905 114.9 49.0 -63.3 -41.4 5.8 20.0 13.9 105 106 A T H <> S+ 0 0 5 -3,-0.6 4,-1.2 -4,-0.4 -1,-0.2 0.897 116.2 42.4 -65.8 -40.7 2.1 19.8 15.0 106 107 A M H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.917 115.0 50.3 -75.4 -35.0 2.9 20.4 18.7 107 108 A L H X S+ 0 0 8 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.853 107.5 53.1 -69.1 -39.4 5.4 23.1 17.9 108 109 A N H X S+ 0 0 16 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.807 114.2 42.8 -65.1 -35.0 3.0 25.0 15.6 109 110 A L H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.968 115.9 44.9 -74.9 -57.3 0.3 25.0 18.3 110 111 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -57,-0.4 0.835 115.1 50.9 -54.7 -35.7 2.5 25.9 21.3 111 112 A G H X S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.3 167,-1.7 0.907 112.8 45.5 -70.8 -41.5 4.2 28.6 19.2 112 113 A H H X S+ 0 0 7 -4,-1.2 4,-1.9 1,-0.2 3,-0.2 0.978 114.9 44.8 -66.6 -57.1 0.9 30.1 18.2 113 114 A L H X S+ 0 0 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