==== 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 03-OCT-03 1R3U . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER TENGCONGENSIS; . AUTHOR Q.CHEN,Y.H.LIANG,X.C.GU,M.LUO,X.D.SU . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 11.2 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 . 4 1.1 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 . 37 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 20.7 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+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 0 1 0 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 4 0 0 2 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 . 4 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 P > 0 0 126 0, 0.0 3,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-160.3 86.8 -84.5 79.6 2 3 A S G >> + 0 0 89 1,-0.3 3,-3.3 2,-0.1 4,-0.6 -0.574 360.0 17.9 69.5-126.0 87.3 -88.2 80.2 3 4 A P G >4 S+ 0 0 52 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.800 122.8 61.3 -45.1 -33.6 86.1 -90.1 77.1 4 5 A M G <4 S+ 0 0 90 -3,-0.9 3,-0.2 1,-0.2 -2,-0.1 0.633 95.1 65.2 -68.6 -10.8 86.3 -86.9 75.0 5 6 A E G <4 S+ 0 0 114 -3,-3.3 -1,-0.2 1,-0.2 -3,-0.0 0.783 96.3 54.1 -78.5 -31.1 90.0 -86.9 75.8 6 7 A D S << S+ 0 0 53 -3,-1.0 169,-1.6 -4,-0.6 2,-0.4 0.570 87.0 102.3 -79.9 -11.5 90.6 -90.1 73.9 7 8 A I E -A 174 0A 20 -4,-0.5 167,-0.2 167,-0.2 3,-0.1 -0.631 48.4-174.5 -79.4 127.9 89.0 -88.6 70.8 8 9 A E E + 0 0 95 165,-3.0 2,-0.3 -2,-0.4 166,-0.2 0.601 69.1 6.9 -95.7 -16.9 91.5 -87.5 68.1 9 10 A E E -A 173 0A 72 164,-0.9 164,-2.4 166,-0.0 2,-0.6 -0.976 60.7-134.5-164.4 150.7 89.1 -85.9 65.7 10 11 A I E +A 172 0A 84 -2,-0.3 162,-0.3 162,-0.3 3,-0.2 -0.864 22.1 172.4-117.7 98.4 85.4 -85.0 65.5 11 12 A L E S+ 0 0 41 160,-1.2 2,-0.5 -2,-0.6 161,-0.2 0.930 77.1 22.7 -67.2 -49.8 83.8 -85.9 62.1 12 13 A I E S-A 171 0A 4 159,-1.8 159,-2.2 135,-0.0 -1,-0.3 -0.985 83.0-139.6-125.0 123.8 80.2 -85.1 63.0 13 14 A T > - 0 0 62 -2,-0.5 4,-2.8 157,-0.2 5,-0.2 -0.336 25.7-106.0 -79.7 163.3 79.5 -82.6 65.8 14 15 A E H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.929 121.3 39.3 -51.5 -55.6 76.7 -83.0 68.4 15 16 A E H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 113.1 56.3 -66.8 -34.7 74.5 -80.3 66.8 16 17 A Q H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 110.6 45.8 -61.5 -42.9 75.3 -81.5 63.3 17 18 A L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.898 109.9 53.7 -66.4 -45.0 74.1 -84.9 64.3 18 19 A K H X S+ 0 0 122 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.888 106.8 50.7 -58.8 -44.3 70.9 -83.7 66.0 19 20 A A H X S+ 0 0 61 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 110.9 48.5 -62.9 -41.8 69.8 -81.7 63.0 20 21 A K H X S+ 0 0 55 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.892 109.1 51.8 -67.1 -41.8 70.2 -84.6 60.6 21 22 A V H X S+ 0 0 10 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.889 112.3 48.1 -60.9 -38.4 68.3 -87.0 62.9 22 23 A K H X S+ 0 0 133 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.917 111.2 50.8 -66.9 -44.5 65.5 -84.5 63.0 23 24 A E H >X S+ 0 0 92 -4,-2.4 4,-1.9 1,-0.2 3,-1.0 0.970 110.3 46.9 -57.2 -59.0 65.6 -84.1 59.2 24 25 A L H 3X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.3 5,-0.2 0.858 108.4 60.0 -52.0 -36.9 65.4 -87.9 58.5 25 26 A G H 3X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.3 0.860 104.3 47.2 -61.1 -38.5 62.6 -87.9 61.1 26 27 A E H < S+ 0 0 190 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.937 113.0 49.7 -73.5 -46.7 55.8 -88.0 55.7 31 32 A D H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.707 119.4 40.8 -65.7 -18.6 56.5 -91.2 53.7 32 33 A Y T 3< S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.2 0.227 71.6 131.2-116.8 15.9 54.8 -93.2 56.3 33 34 A E S < S+ 0 0 151 -3,-1.2 3,-0.1 -4,-0.2 26,-0.1 -0.557 85.6 15.9 -64.3 130.9 51.7 -91.2 57.3 34 35 A G S S+ 0 0 52 1,-0.2 2,-0.2 -2,-0.2 25,-0.0 0.723 103.7 95.0 64.4 112.7 49.1 -94.0 57.1 35 36 A K S S- 0 0 113 2,-0.1 2,-1.3 60,-0.0 -1,-0.2 -0.398 83.6 -96.2 141.3 145.0 51.0 -97.3 57.0 36 37 A D - 0 0 66 57,-0.2 59,-3.1 -2,-0.2 2,-0.4 -0.700 47.7-163.3 -90.0 91.3 51.9 -99.7 59.8 37 38 A L E +c 95 0B 1 -2,-1.3 25,-1.8 23,-0.4 2,-0.4 -0.622 13.7 178.0 -82.9 127.0 55.5 -98.6 60.6 38 39 A V E -cd 96 62B 0 57,-2.9 59,-2.7 -2,-0.4 2,-0.6 -0.992 15.3-151.8-128.7 122.2 57.8 -100.9 62.6 39 40 A L E -cd 97 63B 0 23,-3.4 25,-2.3 -2,-0.4 2,-0.5 -0.842 11.9-172.8 -98.0 123.0 61.4 -100.0 63.4 40 41 A I E -cd 98 64B 2 57,-2.5 59,-3.1 -2,-0.6 2,-0.3 -0.962 5.2-178.8-116.9 124.5 63.9 -102.8 63.8 41 42 A G E -cd 99 65B 0 23,-1.7 25,-1.8 -2,-0.5 2,-0.6 -0.875 27.3-121.3-119.8 154.3 67.4 -102.0 65.0 42 43 A V E > - d 0 66B 17 57,-0.9 4,-1.6 -2,-0.3 25,-0.2 -0.860 50.1 -87.2 -99.1 120.0 70.3 -104.4 65.6 43 44 A L T 4 S- 0 0 73 23,-2.1 25,-0.4 -2,-0.6 2,-0.1 -0.297 88.6 -0.2 -65.1 149.7 71.7 -104.3 69.1 44 45 A K T >4 S+ 0 0 103 23,-0.1 3,-2.7 114,-0.0 4,-0.3 -0.883 121.4 51.6-100.6 -26.3 73.6 -102.7 70.5 45 46 A G T 34 S+ 0 0 8 1,-0.3 3,-0.4 -2,-0.1 4,-0.4 0.685 107.7 54.5 -36.3 -36.7 75.0 -100.2 68.1 46 47 A A T 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.479 79.0 91.1 -86.4 -0.7 71.6 -98.9 66.9 47 48 A I H <> S+ 0 0 67 -3,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.905 87.6 49.2 -60.2 -43.0 70.1 -97.9 70.3 48 49 A M H > S+ 0 0 55 -3,-0.4 4,-1.5 -4,-0.3 -1,-0.2 0.912 116.8 39.9 -62.4 -46.4 71.4 -94.4 70.2 49 50 A F H > S+ 0 0 0 -4,-0.4 4,-2.7 108,-0.2 5,-0.2 0.874 114.6 54.2 -71.2 -39.3 70.1 -93.7 66.7 50 51 A M H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.926 107.7 50.3 -58.4 -49.3 66.8 -95.6 67.3 51 52 A S H X S+ 0 0 59 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.917 116.2 40.0 -57.5 -48.5 66.0 -93.5 70.4 52 53 A G H X S+ 0 0 12 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.905 116.1 49.7 -70.8 -42.2 66.6 -90.2 68.6 53 54 A L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.917 107.5 51.8 -64.3 -48.1 64.9 -91.1 65.3 54 55 A S H >< S+ 0 0 24 -4,-2.5 3,-1.0 1,-0.3 5,-0.3 0.833 109.2 51.6 -60.8 -31.7 61.7 -92.5 66.8 55 56 A R H 3< S+ 0 0 195 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.750 106.8 54.7 -75.3 -22.3 61.2 -89.3 68.8 56 57 A A T << S+ 0 0 28 -4,-0.9 2,-0.6 -3,-0.7 -1,-0.2 0.254 93.7 82.3 -92.5 10.1 61.7 -87.3 65.6 57 58 A I < - 0 0 7 -3,-1.0 2,-2.5 2,-0.1 4,-0.2 -0.914 65.9-158.7-118.8 101.5 58.9 -89.3 63.9 58 59 A D + 0 0 146 -2,-0.6 -3,-0.1 -33,-0.2 -4,-0.0 -0.401 58.7 104.5 -79.0 66.6 55.5 -88.0 64.8 59 60 A L S S- 0 0 28 -2,-2.5 2,-1.4 -5,-0.3 -2,-0.1 -0.954 84.3 -99.9-143.7 157.0 53.8 -91.2 63.8 60 61 A P + 0 0 118 0, 0.0 -23,-0.4 0, 0.0 2,-0.3 -0.657 63.4 163.6 -81.2 92.0 52.2 -94.2 65.7 61 62 A L - 0 0 39 -2,-1.4 2,-0.3 -4,-0.2 -23,-0.2 -0.734 34.1-139.0-115.6 162.5 55.2 -96.6 65.4 62 63 A S E -d 38 0B 47 -25,-1.8 -23,-3.4 -2,-0.3 2,-0.4 -0.868 14.6-152.1-115.9 149.4 56.4 -99.9 66.9 63 64 A I E +d 39 0B 70 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.940 20.0 160.9-123.7 143.4 60.0 -100.7 67.9 64 65 A D E -d 40 0B 16 -25,-2.3 -23,-1.7 -2,-0.4 2,-0.3 -0.965 20.4-139.5-153.8 162.9 61.7 -104.0 68.1 65 66 A F E -d 41 0B 67 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.837 3.9-151.9-129.5 166.1 65.3 -105.3 68.1 66 67 A L E -d 42 0B 4 -25,-1.8 -23,-2.1 -2,-0.3 2,-0.5 -1.000 4.7-162.5-136.4 134.0 67.5 -108.1 66.8 67 68 A A E +H 85 0C 20 18,-2.2 18,-2.3 -2,-0.4 17,-2.2 -0.984 20.8 177.3-117.7 123.0 70.7 -109.5 68.4 68 69 A V E -H 83 0C 41 -2,-0.5 2,-0.3 -25,-0.4 15,-0.2 -0.782 11.5-163.5-123.0 168.5 72.9 -111.4 66.1 69 70 A S E -H 82 0C 52 13,-2.0 13,-2.2 -2,-0.3 2,-0.3 -0.881 26.2 -93.7-143.2 173.8 76.2 -113.2 66.2 70 71 A S E -H 81 0C 50 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.731 8.6-148.9 -99.4 142.1 79.0 -114.5 63.9 71 72 A Y - 0 0 19 9,-0.7 2,-0.9 -2,-0.3 198,-0.1 0.059 56.7-108.4 -89.6 25.0 79.3 -118.1 62.6 72 73 A G S S+ 0 0 40 1,-0.1 2,-0.4 2,-0.1 4,-0.3 -0.771 90.8 2.2 89.3-109.0 83.0 -117.5 62.7 73 74 A S S S+ 0 0 91 -2,-0.9 -1,-0.1 1,-0.2 -3,-0.0 -0.564 119.0 67.1-118.8 68.9 84.2 -117.1 59.1 74 75 A S S > S+ 0 0 4 -2,-0.4 4,-1.6 6,-0.2 6,-1.2 0.125 93.3 64.9-149.3 -18.5 81.1 -117.5 56.9 75 76 A T H > S+ 0 0 15 4,-0.3 4,-0.7 -3,-0.2 -2,-0.1 0.812 101.4 48.6 -79.1 -36.2 79.8 -114.2 58.3 76 77 A K H 4 S+ 0 0 125 -4,-0.3 -1,-0.2 2,-0.2 -3,-0.1 0.711 119.8 36.2 -79.9 -20.5 82.7 -112.3 56.7 77 78 A S H 4 S+ 0 0 75 3,-0.1 -2,-0.2 30,-0.0 -1,-0.1 0.766 138.8 13.9-100.8 -30.6 82.3 -113.9 53.3 78 79 A S H < S- 0 0 19 -4,-1.6 -3,-0.2 2,-0.1 -2,-0.2 0.584 92.8-122.1-118.2 -18.6 78.5 -114.2 53.1 79 80 A G < + 0 0 0 -4,-0.7 2,-0.3 -5,-0.5 -4,-0.3 0.622 54.6 159.6 82.4 13.4 77.3 -112.0 55.9 80 81 A I - 0 0 7 -6,-1.2 -9,-0.7 31,-0.1 2,-0.3 -0.554 16.1-176.7 -72.9 127.4 75.5 -115.0 57.4 81 82 A V E -H 70 0C 4 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.903 27.1-117.8-128.9 158.7 74.8 -114.5 61.1 82 83 A K E -H 69 0C 28 -13,-2.2 -13,-2.0 -2,-0.3 2,-0.9 -0.750 29.5-126.1 -92.2 133.7 73.3 -116.4 64.0 83 84 A I E +H 68 0C 11 -2,-0.4 182,-0.5 -15,-0.2 -15,-0.2 -0.731 34.3 167.9 -86.0 108.7 70.1 -115.0 65.6 84 85 A I E S+ 0 0 97 -17,-2.2 2,-0.4 -2,-0.9 -16,-0.2 0.886 79.2 19.0 -83.3 -44.3 70.6 -114.6 69.3 85 86 A K E S-H 67 0C 82 -18,-2.3 -18,-2.2 179,-0.0 -1,-0.3 -0.937 77.8-160.7-131.5 107.9 67.5 -112.5 69.9 86 87 A D - 0 0 3 176,-0.6 2,-0.2 -2,-0.4 -21,-0.2 -0.402 33.4 -94.1 -79.9 162.3 64.8 -112.6 67.2 87 88 A H - 0 0 0 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.536 25.7-153.4 -79.2 147.5 62.2 -109.9 67.0 88 89 A D + 0 0 79 -2,-0.2 -1,-0.1 -23,-0.1 2,-0.1 0.797 67.2 89.9 -90.2 -33.3 58.9 -110.5 68.8 89 90 A I S S- 0 0 43 1,-0.1 2,-0.8 -26,-0.1 -2,-0.1 -0.424 82.2-121.7 -67.0 137.4 56.6 -108.3 66.7 90 91 A D - 0 0 35 160,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.744 27.6-172.1 -82.8 113.1 55.0 -110.1 63.8 91 92 A I > + 0 0 1 -2,-0.8 3,-2.4 -4,-0.1 31,-0.4 0.478 37.6 127.5 -87.9 -2.6 56.0 -108.1 60.8 92 93 A E T 3 S+ 0 0 61 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.344 87.0 4.5 -57.2 129.2 53.9 -109.9 58.1 93 94 A G T 3 S+ 0 0 37 27,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.530 109.7 115.9 74.0 6.4 52.0 -107.2 56.3 94 95 A K S < S- 0 0 53 -3,-2.4 28,-1.6 26,-0.2 29,-1.4 -0.699 72.7-110.6-107.7 160.3 53.7 -104.4 58.1 95 96 A D E -ce 37 123B 4 -59,-3.1 -57,-2.9 -2,-0.2 2,-0.4 -0.799 39.3-163.8 -92.3 110.6 56.0 -101.6 56.9 96 97 A V E -ce 38 124B 0 27,-2.7 29,-2.6 -2,-0.8 2,-0.5 -0.798 13.5-169.7-102.3 135.0 59.4 -102.3 58.3 97 98 A L E -ce 39 125B 0 -59,-2.7 -57,-2.5 -2,-0.4 2,-0.5 -0.986 16.2-144.9-120.5 119.9 62.3 -99.9 58.5 98 99 A I E -ce 40 126B 5 27,-3.1 29,-3.2 -2,-0.5 2,-0.6 -0.764 13.3-154.9 -86.4 124.9 65.7 -101.3 59.4 99 100 A V E +ce 41 127B 0 -59,-3.1 -57,-0.9 -2,-0.5 2,-0.3 -0.903 16.4 178.3-106.3 115.2 67.6 -98.9 61.5 100 101 A E E - e 0 128B 22 27,-2.9 29,-0.9 -2,-0.6 30,-0.2 -0.796 31.1-146.9-112.9 155.7 71.4 -99.3 61.4 101 102 A D E S- 0 0 22 1,-0.3 29,-1.3 -2,-0.3 2,-0.3 0.848 86.0 -3.9 -85.6 -37.6 74.2 -97.3 63.1 102 103 A I E - e 0 130B 28 27,-0.2 2,-0.5 26,-0.1 -1,-0.3 -0.985 55.8-153.7-158.4 142.9 76.5 -97.7 60.2 103 104 A I E + e 0 131B 4 27,-1.2 29,-2.8 -2,-0.3 33,-0.2 -0.976 31.8 143.0-120.3 119.4 76.8 -99.5 56.9 104 105 A D S S+ 0 0 61 -2,-0.5 33,-0.2 27,-0.2 -1,-0.1 0.575 80.0 4.8-117.0 -85.6 80.2 -100.4 55.5 105 106 A S S S- 0 0 25 31,-0.2 32,-3.2 32,-0.1 33,-1.1 0.881 81.6-151.3 -72.1 -36.0 80.5 -103.8 53.6 106 107 A G > + 0 0 5 30,-0.2 4,-2.2 31,-0.2 5,-0.2 0.538 56.5 122.7 79.2 6.4 76.8 -104.4 53.9 107 108 A L H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.974 77.3 41.2 -63.9 -57.0 77.1 -108.2 53.9 108 109 A T H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 115.6 53.3 -59.9 -35.6 75.4 -108.9 57.2 109 110 A L H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 106.4 50.3 -67.5 -42.3 72.7 -106.2 56.3 110 111 A A H X S+ 0 0 28 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.880 112.0 50.2 -63.2 -36.3 71.9 -107.8 52.9 111 112 A Y H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.897 110.3 47.3 -69.0 -42.2 71.5 -111.1 54.7 112 113 A L H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.843 108.6 56.1 -68.6 -33.6 69.2 -109.8 57.4 113 114 A R H X S+ 0 0 102 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.943 109.3 46.3 -62.1 -46.9 67.1 -108.0 54.7 114 115 A E H X S+ 0 0 126 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.898 113.0 49.0 -62.5 -42.8 66.6 -111.3 52.9 115 116 A T H < S+ 0 0 22 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.904 112.4 48.1 -65.1 -41.0 65.7 -113.1 56.2 116 117 A L H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.806 105.8 58.9 -70.8 -26.4 63.3 -110.4 57.1 117 118 A L H >< S+ 0 0 70 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.793 94.0 65.9 -70.6 -27.8 61.7 -110.5 53.6 118 119 A G T 3< S+ 0 0 41 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.576 93.0 62.0 -69.4 -8.8 60.9 -114.2 54.2 119 120 A R T < S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.295 112.8-119.5 -99.8 8.7 58.5 -113.0 56.9 120 121 A K < - 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