==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JUL-13 4LYY . COMPND 2 MOLECULE: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA PEALEANA; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 665 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 10.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 60 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 19.2 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 0 0 0 0 4 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 1 3 4 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 . 7 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 -3 A Y 0 0 257 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.0 23.4 31.4 91.6 2 -2 A F - 0 0 168 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.865 360.0-143.9 -92.7 131.2 20.9 29.7 89.4 3 -1 A Q - 0 0 149 -2,-0.5 2,-0.1 3,-0.0 3,-0.1 -0.869 12.6-151.2 -99.8 112.8 19.7 26.4 90.8 4 0 A S - 0 0 72 -2,-0.7 2,-0.0 1,-0.1 0, 0.0 -0.402 37.8 -82.1 -71.8 156.4 19.2 23.7 88.1 5 1 A X - 0 0 133 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.387 43.1-174.3 -57.9 137.9 16.6 21.0 88.7 6 2 A K + 0 0 123 1,-0.2 166,-1.3 -3,-0.1 2,-0.3 0.534 62.7 11.7-113.3 -16.9 18.2 18.3 90.8 7 3 A H E -A 171 0A 47 164,-0.2 2,-0.2 165,-0.1 -1,-0.2 -0.951 57.7-153.2-148.1 170.6 15.4 15.7 90.8 8 4 A T E -A 170 0A 66 162,-2.7 162,-2.8 -2,-0.3 2,-0.4 -0.789 21.4-118.4-132.7-177.4 12.1 14.8 89.1 9 5 A T E -A 169 0A 33 -2,-0.2 2,-0.4 160,-0.2 160,-0.2 -0.975 19.1-165.3-124.9 139.8 9.1 12.8 90.2 10 6 A E E -A 168 0A 96 158,-2.2 158,-2.4 -2,-0.4 -2,-0.0 -0.994 31.6-106.1-127.8 130.4 7.7 9.7 88.6 11 7 A V E +A 167 0A 69 -2,-0.4 156,-0.3 156,-0.2 3,-0.1 -0.184 40.6 166.2 -52.0 129.1 4.2 8.3 89.2 12 8 A X E S+ 0 0 50 154,-3.5 2,-0.4 1,-0.4 155,-0.2 0.669 75.4 21.3-111.0 -42.5 4.3 5.2 91.4 13 9 A I E S-A 166 0A 10 153,-2.5 153,-2.6 4,-0.0 -1,-0.4 -0.981 85.1-136.6-129.8 120.6 0.6 4.9 92.4 14 10 A T > - 0 0 56 -2,-0.4 4,-2.1 151,-0.2 5,-0.2 -0.279 22.7-111.9 -77.7 163.3 -1.9 6.7 90.1 15 11 A A H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.873 120.7 53.9 -56.4 -38.7 -4.9 8.7 91.2 16 12 A E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 106.7 49.6 -65.7 -40.7 -7.1 6.0 89.8 17 13 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 111.1 50.2 -63.9 -39.2 -5.3 3.3 91.9 18 14 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 108.1 52.6 -62.8 -48.1 -5.7 5.4 95.0 19 15 A D H X S+ 0 0 74 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.889 109.9 50.0 -51.1 -44.5 -9.4 5.8 94.2 20 16 A Q H X S+ 0 0 111 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.914 109.9 49.3 -61.7 -46.3 -9.7 2.0 94.0 21 17 A K H X S+ 0 0 59 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.866 107.1 55.3 -63.0 -38.5 -8.0 1.5 97.3 22 18 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.867 104.7 53.8 -63.6 -38.6 -10.2 4.0 99.0 23 19 A D H X S+ 0 0 87 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.2 45.0 -58.7 -44.5 -13.3 2.1 97.8 24 20 A I H X S+ 0 0 86 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.920 113.3 48.3 -63.7 -48.2 -11.8 -1.1 99.4 25 21 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.918 111.0 51.7 -61.2 -39.8 -10.8 0.7 102.6 26 22 A A H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.906 108.0 51.3 -65.2 -41.6 -14.3 2.2 102.9 27 23 A E H X S+ 0 0 130 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 113.9 45.8 -58.5 -43.8 -15.9 -1.2 102.4 28 24 A Q H X S+ 0 0 94 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 116.3 43.7 -66.7 -45.3 -13.7 -2.6 105.2 29 25 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.943 114.1 49.6 -66.1 -46.9 -14.3 0.4 107.6 30 26 A N H < S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 113.8 46.6 -60.8 -40.9 -18.1 0.5 106.9 31 27 A A H >< S+ 0 0 72 -4,-2.1 3,-1.2 -5,-0.3 4,-0.2 0.906 111.4 51.8 -64.5 -43.3 -18.3 -3.3 107.5 32 28 A H H 3< S+ 0 0 102 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.855 116.1 39.7 -64.1 -37.4 -16.2 -2.9 110.7 33 29 A Y T >< S+ 0 0 22 -4,-2.4 3,-1.9 1,-0.2 -1,-0.3 0.113 77.7 120.7 -99.8 21.5 -18.5 -0.1 112.1 34 30 A A T < S+ 0 0 73 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.869 80.2 42.9 -51.0 -43.1 -21.8 -1.7 110.9 35 31 A D T 3 S+ 0 0 174 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.327 99.6 91.1 -91.2 6.3 -23.2 -1.8 114.5 36 32 A S < - 0 0 29 -3,-1.9 3,-0.1 1,-0.1 -3,-0.0 -0.866 54.0-169.2-103.2 136.8 -21.9 1.6 115.3 37 33 A D S S+ 0 0 117 -2,-0.4 25,-1.9 1,-0.2 2,-0.4 0.813 73.9 36.7 -91.2 -37.4 -24.1 4.6 114.8 38 34 A R E -c 62 0B 100 23,-0.1 52,-0.4 25,-0.0 2,-0.4 -0.952 62.7-176.5-122.9 138.4 -21.5 7.4 115.3 39 35 A L E -c 63 0B 7 23,-2.2 25,-2.6 -2,-0.4 2,-0.6 -0.999 13.4-153.5-133.6 133.6 -17.8 7.5 114.2 40 36 A L E -cd 64 91B 0 50,-2.5 52,-2.7 -2,-0.4 2,-0.5 -0.953 11.3-158.9-107.9 118.8 -15.3 10.2 114.9 41 37 A X E -cd 65 92B 0 23,-2.9 25,-2.3 -2,-0.6 2,-0.5 -0.885 7.3-165.9-100.6 122.6 -12.5 10.3 112.3 42 38 A V E -cd 66 93B 0 50,-2.6 52,-3.0 -2,-0.5 2,-0.3 -0.943 2.0-165.1-115.0 118.3 -9.3 12.1 113.5 43 39 A G E -cd 67 94B 0 23,-2.5 25,-2.2 -2,-0.5 2,-0.6 -0.791 17.5-131.0-103.1 145.5 -6.6 13.1 111.0 44 40 A L E > -c 68 0B 6 50,-1.2 4,-1.9 -2,-0.3 5,-0.2 -0.842 45.8 -90.8 -92.6 126.2 -3.1 14.1 111.8 45 41 A L T 4 S+ 0 0 22 23,-2.8 25,-0.4 -2,-0.6 2,-0.0 -0.460 88.5 2.0 -76.9 151.9 -2.0 17.3 110.1 46 42 A K T >4 S+ 0 0 11 -2,-0.1 3,-1.3 23,-0.1 4,-0.3 -0.956 126.1 45.9 -91.8 -13.5 -0.7 18.1 107.6 47 43 A G T 34 S+ 0 0 8 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.682 107.1 54.1 -69.4 -21.7 -0.3 14.7 105.9 48 44 A S T 3X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -1,-0.3 0.545 81.2 92.5 -88.2 -10.5 -3.7 13.1 106.4 49 45 A V H <> S+ 0 0 1 -3,-1.3 4,-2.5 -5,-0.2 -1,-0.2 0.877 87.6 42.1 -60.3 -46.8 -5.8 15.9 105.0 50 46 A V H > S+ 0 0 0 -4,-0.3 4,-2.3 -3,-0.3 5,-0.2 0.961 118.9 45.5 -65.4 -49.8 -6.1 14.7 101.4 51 47 A F H > S+ 0 0 0 -4,-0.4 4,-2.9 101,-0.3 5,-0.3 0.920 114.1 49.4 -57.5 -45.7 -6.7 11.1 102.4 52 48 A X H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.924 109.1 52.5 -62.5 -45.9 -9.2 12.1 105.1 53 49 A A H X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.923 115.7 39.9 -55.2 -47.8 -11.1 14.3 102.7 54 50 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 -5,-0.2 4,-0.2 0.926 119.3 44.6 -69.0 -45.2 -11.5 11.5 100.1 55 51 A L H >< S+ 0 0 0 -4,-2.9 3,-2.5 -5,-0.2 4,-0.4 0.907 105.7 58.6 -67.6 -44.6 -12.1 8.7 102.6 56 52 A C H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.841 97.7 62.3 -59.8 -32.7 -14.6 10.5 104.8 57 53 A R T 3< S+ 0 0 47 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.593 106.1 47.1 -67.1 -9.1 -16.9 11.0 101.8 58 54 A R T < S+ 0 0 58 -3,-2.5 2,-0.4 -4,-0.2 -1,-0.2 0.373 88.5 100.6-111.0 -0.8 -17.2 7.2 101.5 59 55 A I < - 0 0 9 -3,-1.3 2,-0.1 -4,-0.4 4,-0.1 -0.752 65.2-138.0 -92.2 134.3 -17.9 6.4 105.1 60 56 A K + 0 0 151 -2,-0.4 2,-0.1 -34,-0.2 -2,-0.1 -0.397 54.8 23.0 -89.3 161.4 -21.5 5.7 106.0 61 57 A G S S- 0 0 59 -2,-0.1 2,-0.9 2,-0.1 -23,-0.1 -0.391 109.9 -16.3 93.0-163.5 -23.6 6.8 109.1 62 58 A H E S+c 38 0B 113 -25,-1.9 -23,-2.2 -2,-0.1 2,-0.5 -0.739 74.8 179.7 -83.0 109.9 -23.2 9.7 111.5 63 59 A V E -c 39 0B 3 -2,-0.9 264,-0.4 -25,-0.2 265,-0.4 -0.962 13.7-175.9-117.3 132.6 -19.6 10.7 110.8 64 60 A E E -c 40 0B 15 -25,-2.6 -23,-2.9 -2,-0.5 2,-0.3 -0.921 11.5-153.3-118.5 152.3 -17.7 13.6 112.5 65 61 A I E +c 41 0B 0 -2,-0.3 2,-0.3 260,-0.3 -23,-0.2 -0.917 18.4 163.0-125.3 151.2 -14.2 14.6 111.6 66 62 A D E -c 42 0B 0 -25,-2.3 -23,-2.5 -2,-0.3 2,-0.3 -0.949 18.9-142.7-154.9 174.3 -11.5 16.3 113.6 67 63 A F E -c 43 0B 0 -2,-0.3 2,-0.3 -25,-0.3 -23,-0.2 -0.963 6.1-164.5-141.9 152.1 -7.7 16.9 113.4 68 64 A X E -c 44 0B 1 -25,-2.2 -23,-2.8 -2,-0.3 2,-0.5 -0.963 10.8-147.9-133.5 156.0 -4.7 17.1 115.6 69 65 A S E +G 80 0C 3 11,-2.5 10,-2.4 -2,-0.3 11,-2.2 -0.997 24.9 170.5-119.1 123.9 -1.2 18.4 115.1 70 66 A V E -G 78 0C 22 -2,-0.5 2,-0.3 -25,-0.4 8,-0.2 -0.946 33.9-112.0-130.0 157.2 1.7 16.7 116.9 71 67 A S 0 0 28 6,-2.3 6,-0.1 -2,-0.3 -2,-0.0 -0.660 360.0 360.0 -85.7 144.7 5.5 16.9 116.7 72 68 A S 0 0 107 -2,-0.3 5,-0.1 4,-0.1 -1,-0.1 -0.237 360.0 360.0 -63.3 360.0 7.3 13.9 115.3 73 ! 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 74 77 A R 0 0 219 0, 0.0 2,-0.1 0, 0.0 344,-0.0 0.000 360.0 360.0 360.0 129.1 11.8 14.8 120.5 75 78 A D - 0 0 5 1,-0.1 2,-0.9 346,-0.0 -4,-0.1 -0.401 360.0 -94.5 -71.4 161.8 8.8 13.7 122.6 76 79 A V - 0 0 3 -2,-0.1 2,-0.3 -6,-0.1 -4,-0.1 -0.784 50.4-168.6 -82.3 110.3 5.5 13.8 120.8 77 80 A K - 0 0 18 -2,-0.9 -6,-2.3 -5,-0.1 2,-0.8 -0.799 21.9-124.2 -99.3 142.2 4.1 17.3 121.7 78 81 A I E +G 70 0C 4 -2,-0.3 337,-0.7 -8,-0.2 -8,-0.2 -0.801 30.3 172.7 -89.5 110.5 0.5 18.3 121.0 79 82 A L E S+ 0 0 88 -10,-2.4 2,-0.3 -2,-0.8 -9,-0.2 0.778 80.7 8.6 -84.0 -34.5 0.5 21.4 118.8 80 83 A K E S-G 69 0C 11 -11,-2.2 -11,-2.5 -3,-0.2 -1,-0.4 -0.916 77.0-153.0-147.6 124.2 -3.2 21.2 118.4 81 84 A D - 0 0 9 331,-0.6 -14,-0.2 -2,-0.3 330,-0.1 -0.405 37.2 -82.7 -84.9 166.8 -5.5 18.8 120.2 82 85 A V - 0 0 3 1,-0.1 -1,-0.2 -2,-0.1 -14,-0.1 -0.337 29.0-144.6 -63.3 150.2 -8.8 17.4 118.9 83 86 A Q S S+ 0 0 95 -16,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.636 75.5 80.2 -89.9 -15.4 -11.7 19.8 119.5 84 87 A S S S- 0 0 15 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.554 87.7-106.4 -91.2 151.6 -14.2 16.9 120.1 85 88 A E - 0 0 135 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.548 28.8-169.4 -69.3 143.7 -14.7 14.8 123.2 86 89 A I > + 0 0 0 -2,-0.2 3,-2.2 28,-0.1 31,-0.5 0.698 46.5 110.2-105.1 -31.9 -13.2 11.3 122.9 87 90 A Q T 3 S+ 0 0 75 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.219 92.3 3.0 -60.3 132.6 -14.5 9.4 125.9 88 91 A G T 3 S+ 0 0 50 27,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.570 107.1 118.5 72.0 10.9 -17.1 6.7 125.1 89 92 A R S < S- 0 0 26 -3,-2.2 29,-1.7 26,-0.1 28,-1.0 -0.745 70.4-115.9-109.9 155.1 -16.8 7.3 121.3 90 93 A D E - e 0 118B 17 -52,-0.4 -50,-2.5 -2,-0.3 2,-0.4 -0.805 41.9-169.0 -87.0 122.5 -15.8 5.1 118.4 91 94 A V E -de 40 119B 0 27,-2.4 29,-2.2 -2,-0.6 2,-0.5 -0.954 18.0-169.5-125.5 132.6 -12.6 6.8 117.1 92 95 A L E -de 41 120B 0 -52,-2.7 -50,-2.6 -2,-0.4 2,-0.4 -0.980 13.3-150.6-121.3 115.5 -10.7 6.1 113.9 93 96 A I E -de 42 121B 0 27,-3.2 29,-2.9 -2,-0.5 2,-0.5 -0.742 13.6-158.3 -84.5 132.7 -7.3 7.7 113.4 94 97 A V E +de 43 122B 0 -52,-3.0 -50,-1.2 -2,-0.4 2,-0.3 -0.956 16.5 170.4-120.7 123.9 -6.5 8.4 109.8 95 98 A E E - e 0 123B 31 27,-2.7 29,-1.8 -2,-0.5 30,-0.2 -0.957 33.3-140.0-135.2 147.1 -2.9 8.8 108.6 96 99 A D E S+ 0 0 18 -2,-0.3 29,-2.2 1,-0.3 2,-0.4 0.947 84.4 8.2 -73.7 -43.9 -1.3 9.0 105.2 97 100 A L E - e 0 125B 24 27,-0.2 2,-0.5 26,-0.1 -1,-0.3 -0.998 53.5-162.3-144.2 134.1 1.8 6.9 105.9 98 101 A I E + e 0 126B 3 27,-2.1 29,-2.3 -2,-0.4 32,-0.1 -0.986 29.4 143.4-113.1 126.3 3.2 4.7 108.7 99 102 A D S S+ 0 0 44 -2,-0.5 33,-0.1 27,-0.2 -1,-0.1 0.486 80.3 9.6-117.3 -83.2 6.9 3.9 108.6 100 103 A S S S- 0 0 19 31,-0.2 32,-2.8 32,-0.1 33,-1.3 0.846 84.0-142.9 -67.4 -34.4 8.6 3.7 112.0 101 104 A G > + 0 0 4 30,-0.2 4,-2.8 31,-0.2 5,-0.2 0.270 65.2 121.0 88.2 -8.9 5.2 3.8 113.9 102 105 A N H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.921 74.7 40.2 -58.7 -49.8 6.8 6.0 116.6 103 106 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 116.2 48.8 -64.9 -51.4 4.5 9.0 116.2 104 107 A L H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.871 109.4 54.3 -56.1 -40.0 1.3 7.0 115.7 105 108 A N H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.910 109.9 46.2 -64.7 -38.3 2.1 4.8 118.7 106 109 A K H X S+ 0 0 66 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.899 113.5 49.0 -71.8 -38.0 2.5 7.9 121.0 107 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.914 110.5 51.3 -64.7 -43.5 -0.7 9.4 119.6 108 111 A R H X S+ 0 0 63 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.948 110.1 49.6 -56.1 -49.5 -2.6 6.1 120.2 109 112 A D H X S+ 0 0 54 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.894 110.7 49.3 -60.7 -41.9 -1.3 6.0 123.8 110 113 A X H < S+ 0 0 7 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.911 113.2 46.1 -64.2 -43.8 -2.4 9.6 124.5 111 114 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.845 103.8 61.9 -67.1 -35.9 -5.9 9.0 123.1 112 115 A L H >< S+ 0 0 65 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.821 93.7 65.7 -60.6 -31.3 -6.4 5.7 124.9 113 116 A L T 3< S+ 0 0 57 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.753 93.9 59.3 -58.6 -27.1 -6.1 7.7 128.2 114 117 A R T < S- 0 0 3 -3,-1.5 294,-0.3 -4,-0.4 -1,-0.3 0.382 110.4-127.1 -87.1 2.0 -9.3 9.4 127.3 115 118 A E < - 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