==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-00 1DQN . COMPND 2 MOLECULE: GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR W.SHI,N.R.MUNAGALA,C.C.WANG,C.M.LI,P.C.TYLER,R.H.FURNEAUX, . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.3 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 . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 28.5 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 2 0 1 1 6 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 6 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A M 0 0 90 0, 0.0 9,-2.9 0, 0.0 10,-0.5 0.000 360.0 360.0 360.0 14.1 1.2 26.3 57.5 2 2 A I B -A 9 0A 74 7,-0.3 2,-0.2 8,-0.1 6,-0.1 -0.968 360.0-102.2-131.0 145.8 -1.3 24.5 55.3 3 3 A C > - 0 0 2 5,-3.0 4,-1.7 -2,-0.3 33,-0.0 -0.464 28.1-144.9 -63.8 126.5 -1.1 21.5 53.0 4 4 A S T 4 S+ 0 0 32 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.559 94.7 41.0 -73.7 -6.8 -1.1 22.9 49.4 5 5 A V T 4 S+ 0 0 65 3,-0.1 -1,-0.2 215,-0.0 -2,-0.0 0.834 129.3 21.6-102.8 -49.7 -3.1 20.0 48.1 6 6 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 0, 0.0 -4,-0.0 0.769 90.3-129.6 -91.4 -30.7 -5.8 19.3 50.7 7 7 A G < + 0 0 45 -4,-1.7 -3,-0.1 1,-0.3 3,-0.0 0.456 58.1 144.1 91.1 2.0 -5.9 22.7 52.6 8 8 A K - 0 0 69 -6,-0.1 -5,-3.0 1,-0.1 -1,-0.3 -0.583 58.3-110.5 -76.7 129.1 -5.5 20.9 55.9 9 9 A P B >> -A 2 0A 37 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.317 23.7-122.7 -57.5 144.0 -3.4 22.9 58.4 10 10 A V H 3> S+ 0 0 21 -9,-2.9 4,-2.8 1,-0.3 5,-0.2 0.876 112.7 59.2 -58.2 -37.0 -0.1 21.1 59.0 11 11 A K H 3> S+ 0 0 134 -10,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.874 108.5 45.8 -59.8 -33.6 -0.8 21.0 62.7 12 12 A D H <> S+ 0 0 71 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.845 109.2 53.6 -77.6 -34.1 -3.9 19.0 61.8 13 13 A V H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.936 115.0 42.9 -62.9 -44.0 -2.1 16.7 59.4 14 14 A L H X S+ 0 0 33 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.832 108.0 56.2 -73.4 -33.5 0.4 16.0 62.2 15 15 A S H < S+ 0 0 70 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.916 113.5 43.6 -64.9 -38.7 -2.2 15.6 65.0 16 16 A T H >< S+ 0 0 31 -4,-1.9 3,-0.9 2,-0.2 -2,-0.2 0.930 114.2 50.5 -68.9 -45.6 -3.8 12.9 62.8 17 17 A F H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.7 41.5 -58.6 -46.7 -0.5 11.3 61.9 18 18 A F T >< S+ 0 0 26 -4,-2.9 3,-0.8 -5,-0.1 2,-0.4 0.372 80.0 126.0 -87.6 6.0 0.7 11.1 65.5 19 19 A K T < S- 0 0 114 -3,-0.9 -3,-0.0 -4,-0.5 -4,-0.0 -0.492 90.6 -25.1 -70.5 119.1 -2.4 9.9 67.2 20 20 A D T 3 S+ 0 0 135 -2,-0.4 -1,-0.2 1,-0.1 2,-0.1 0.832 87.0 167.8 49.0 45.6 -1.8 6.7 69.2 21 21 A R < - 0 0 20 -3,-0.8 3,-0.2 3,-0.1 -1,-0.1 -0.488 32.1-155.2 -84.2 160.2 1.2 5.4 67.2 22 22 A N S S+ 0 0 72 293,-2.3 -1,-0.1 -2,-0.1 3,-0.1 0.038 84.0 67.3-120.9 24.4 3.3 2.6 68.5 23 23 A D S S+ 0 0 13 293,-0.2 2,-0.3 1,-0.2 293,-0.1 0.129 98.5 41.5-132.4 20.4 6.5 3.5 66.6 24 24 A V S S- 0 0 18 291,-0.2 2,-0.2 -3,-0.2 -1,-0.2 -0.920 77.1-119.8-165.8 137.7 7.5 6.8 68.2 25 25 A L >> - 0 0 104 -2,-0.3 3,-2.0 1,-0.1 4,-1.2 -0.583 27.6-120.5 -80.6 145.0 7.6 8.0 71.9 26 26 A E G >4 S+ 0 0 152 1,-0.3 3,-0.7 -2,-0.2 4,-0.5 0.892 115.3 57.1 -51.8 -39.1 5.5 11.0 72.7 27 27 A S G 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.699 105.8 50.6 -66.2 -19.1 8.7 12.8 73.7 28 28 A E G X4 S+ 0 0 48 -3,-2.0 3,-2.1 1,-0.1 4,-0.4 0.657 84.2 87.4 -92.4 -20.2 10.2 12.2 70.3 29 29 A V G X< S+ 0 0 26 -4,-1.2 3,-1.9 -3,-0.7 -1,-0.1 0.878 82.0 59.5 -47.4 -46.2 7.3 13.6 68.2 30 30 A K G 3 S+ 0 0 155 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.665 90.9 71.5 -60.5 -16.6 8.6 17.2 68.3 31 31 A K G < S+ 0 0 123 -3,-2.1 2,-0.6 -4,-0.1 -1,-0.3 0.711 82.8 82.9 -72.4 -21.1 11.9 16.1 66.7 32 32 A F < - 0 0 16 -3,-1.9 2,-0.5 -4,-0.4 169,-0.2 -0.780 61.7-166.4 -94.5 117.6 10.1 15.6 63.3 33 33 A H E -B 200 0B 53 167,-3.1 167,-2.6 -2,-0.6 2,-0.4 -0.871 20.6-130.1-102.3 121.9 9.6 18.6 61.1 34 34 A L E +B 199 0B 7 -2,-0.5 165,-0.2 165,-0.2 3,-0.1 -0.574 32.3 167.9 -75.9 125.5 7.2 18.2 58.2 35 35 A L E S+ 0 0 0 163,-3.1 2,-0.4 -2,-0.4 164,-0.2 0.793 71.5 7.1 -99.4 -43.1 8.6 19.4 54.9 36 36 A A E S-B 198 0B 0 162,-1.7 162,-2.7 -33,-0.0 -1,-0.4 -0.993 72.8-128.2-143.7 132.4 6.1 17.9 52.5 37 37 A T > - 0 0 3 -2,-0.4 4,-2.5 160,-0.2 5,-0.2 -0.406 32.0-110.7 -74.3 159.6 2.8 16.2 53.2 38 38 A F H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 120.9 52.9 -56.5 -44.5 2.2 12.8 51.6 39 39 A E H > S+ 0 0 52 422,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 108.1 50.4 -59.9 -39.1 -0.4 14.4 49.3 40 40 A E H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 110.3 50.0 -64.7 -39.7 2.0 17.1 48.3 41 41 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.892 108.3 53.1 -63.9 -39.8 4.6 14.3 47.5 42 42 A K H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 107.0 52.0 -62.0 -37.7 1.9 12.5 45.4 43 43 A A H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.906 109.4 49.8 -64.0 -44.1 1.3 15.7 43.5 44 44 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.914 112.0 47.7 -59.8 -45.1 5.0 16.0 42.7 45 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 111.2 50.7 -65.7 -38.6 5.2 12.4 41.6 46 46 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 109.2 51.4 -65.2 -40.2 2.1 12.9 39.4 47 47 A D H X S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.840 110.8 48.6 -64.5 -33.6 3.7 16.0 37.8 48 48 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.901 109.4 51.7 -73.2 -39.4 6.8 14.0 37.1 49 49 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 35,-0.2 0.896 105.8 57.4 -61.1 -39.9 4.7 11.1 35.6 50 50 A R H X S+ 0 0 92 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 108.5 45.0 -56.0 -47.7 3.1 13.8 33.4 51 51 A R H X S+ 0 0 66 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.882 113.2 48.7 -68.1 -37.7 6.4 14.8 32.0 52 52 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.895 109.4 54.8 -68.1 -36.4 7.7 11.3 31.4 53 53 A N H X S+ 0 0 21 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.895 110.0 45.1 -62.7 -40.2 4.4 10.5 29.7 54 54 A E H < S+ 0 0 114 -4,-1.8 3,-0.4 -5,-0.2 4,-0.2 0.884 113.8 50.6 -70.8 -37.5 4.8 13.3 27.3 55 55 A Y H < S+ 0 0 106 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.903 120.9 31.9 -66.4 -42.5 8.4 12.4 26.7 56 56 A Y H >< S+ 0 0 5 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.263 80.4 113.3-103.2 12.8 7.8 8.7 26.0 57 57 A K T 3< S+ 0 0 82 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.1 0.791 86.8 37.6 -57.3 -28.6 4.3 8.8 24.3 58 58 A D T 3 S+ 0 0 140 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.272 81.3 139.8-106.7 11.2 5.7 7.7 21.0 59 59 A V < - 0 0 36 -3,-1.8 4,-0.1 1,-0.1 -3,-0.1 -0.289 39.5-157.6 -58.8 136.3 8.3 5.2 22.2 60 60 A A S S+ 0 0 107 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.391 74.7 40.0 -98.1 0.7 8.3 2.1 20.0 61 61 A E S S- 0 0 76 25,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.986 100.3 -87.0-145.1 146.2 9.9 -0.3 22.5 62 62 A P - 0 0 56 0, 0.0 25,-0.3 0, 0.0 58,-0.2 -0.269 43.4-122.7 -57.4 138.3 9.2 -0.6 26.2 63 63 A V E -d 87 0C 0 23,-2.6 25,-2.5 56,-0.1 2,-0.9 -0.528 18.8-125.1 -79.2 146.6 11.4 1.7 28.4 64 64 A T E -de 88 121C 8 56,-2.6 58,-2.6 23,-0.2 2,-0.5 -0.834 27.3-170.3 -96.3 104.9 13.5 0.1 31.1 65 65 A L E -de 89 122C 0 23,-2.5 25,-1.6 -2,-0.9 2,-0.4 -0.839 5.4-177.1 -94.7 131.0 12.7 1.6 34.4 66 66 A V E -de 90 123C 0 56,-2.8 58,-3.1 -2,-0.5 2,-0.4 -0.988 6.5-163.7-132.8 125.4 15.1 0.6 37.2 67 67 A A E -de 91 124C 0 23,-2.2 25,-2.3 -2,-0.4 2,-0.5 -0.842 19.0-125.4-110.9 143.9 14.8 1.7 40.8 68 68 A L E > -d 92 0C 8 56,-1.8 4,-1.0 -2,-0.4 58,-0.2 -0.745 44.7 -89.4 -88.8 127.7 17.4 1.5 43.5 69 69 A L T 4 S+ 0 0 29 23,-2.3 25,-0.4 -2,-0.5 2,-0.2 -0.420 82.2 6.3 -71.1 150.5 16.5 -0.3 46.7 70 70 A T T >4 S+ 0 0 30 -2,-0.1 3,-1.9 115,-0.1 -1,-0.1 -0.845 118.5 33.1-111.9 -33.1 15.3 0.3 49.2 71 71 A G T >> S+ 0 0 6 1,-0.3 3,-1.1 -2,-0.2 4,-0.5 0.744 104.6 69.2 -52.3 -31.4 13.9 3.8 49.8 72 72 A A H 3X S+ 0 0 0 -4,-1.0 4,-2.9 1,-0.2 -1,-0.3 0.546 72.8 91.0 -68.8 -5.1 12.7 4.4 46.2 73 73 A Y H <> S+ 0 0 0 -3,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.879 88.0 46.9 -58.0 -38.7 10.0 1.8 46.5 74 74 A L H <> S+ 0 0 1 -3,-1.1 4,-1.9 2,-0.2 3,-0.3 0.975 114.6 43.6 -68.7 -56.0 7.4 4.4 47.7 75 75 A Y H X S+ 0 0 0 -4,-0.5 4,-1.8 109,-0.3 5,-0.2 0.922 112.5 55.0 -55.6 -42.5 8.2 7.0 45.1 76 76 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.886 107.0 50.4 -59.8 -36.7 8.3 4.3 42.4 77 77 A S H X S+ 0 0 2 -4,-1.7 4,-1.0 -3,-0.3 -1,-0.2 0.864 112.0 47.4 -69.2 -33.2 4.8 3.2 43.4 78 78 A L H < S+ 0 0 19 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.716 118.2 41.8 -79.3 -22.3 3.5 6.8 43.2 79 79 A L H >< S+ 0 0 0 -4,-1.8 3,-1.9 -5,-0.2 4,-0.4 0.918 110.3 51.2 -87.1 -57.0 5.1 7.4 39.8 80 80 A T H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -3,-0.1 0.800 97.8 65.9 -57.3 -33.9 4.5 4.2 37.9 81 81 A V T 3< S+ 0 0 5 -4,-1.0 346,-0.4 -5,-0.3 -1,-0.3 0.738 106.6 44.4 -64.1 -16.3 0.8 4.1 38.6 82 82 A H T < S+ 0 0 16 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.434 86.8 111.2-105.1 -0.7 0.4 7.2 36.5 83 83 A L < - 0 0 1 -3,-1.4 -33,-0.1 -4,-0.4 4,-0.1 -0.507 42.0-173.2 -76.4 145.6 2.7 6.3 33.6 84 84 A T + 0 0 7 -35,-0.2 169,-2.2 -2,-0.2 171,-0.2 0.187 55.4 79.3-126.5 16.2 1.0 5.7 30.2 85 85 A F S S- 0 0 1 167,-0.1 169,-0.2 169,-0.1 2,-0.1 -0.817 90.2 -83.6-118.8 161.2 3.7 4.4 27.9 86 86 A P + 0 0 32 0, 0.0 -23,-2.6 0, 0.0 2,-0.3 -0.422 60.5 146.8 -68.8 136.2 5.2 0.8 27.8 87 87 A Y E -d 63 0C 4 -25,-0.3 337,-0.3 -2,-0.1 336,-0.3 -0.984 39.5-134.9-161.0 160.1 7.9 -0.1 30.3 88 88 A T E -d 64 0C 46 -25,-2.5 -23,-2.5 -2,-0.3 2,-0.4 -0.812 25.2-152.0-111.0 157.5 9.3 -2.9 32.3 89 89 A L E +d 65 0C 6 332,-0.4 2,-0.3 -2,-0.3 -23,-0.2 -0.998 21.7 157.0-136.7 133.6 10.2 -2.3 36.0 90 90 A H E -d 66 0C 49 -25,-1.6 -23,-2.2 -2,-0.4 2,-0.4 -0.982 28.5-132.8-148.7 159.6 12.8 -3.9 38.2 91 91 A F E -d 67 0C 6 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.903 18.4-163.3-113.4 144.1 14.7 -3.0 41.4 92 92 A V E -d 68 0C 0 -25,-2.3 -23,-2.3 -2,-0.4 2,-0.5 -0.954 15.1-134.0-129.0 149.2 18.4 -3.4 42.0 93 93 A K + 0 0 110 -2,-0.4 15,-0.3 -25,-0.2 2,-0.3 -0.869 29.7 174.8-100.0 127.5 20.5 -3.5 45.1 94 94 A V - 0 0 39 -2,-0.5 2,-0.4 -25,-0.4 13,-0.2 -0.887 19.9-139.9-128.0 162.0 23.7 -1.4 44.9 95 95 A S E -H 106 0D 77 11,-1.5 11,-3.1 -2,-0.3 2,-0.6 -0.955 14.8-129.1-123.8 143.0 26.3 -0.6 47.6 96 96 A S E -H 105 0D 49 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.830 20.7-163.0 -94.4 119.7 28.1 2.7 48.1 97 97 A Y E -H 104 0D 159 7,-3.2 7,-2.5 -2,-0.6 2,-1.1 -0.902 6.4-152.9-106.4 112.6 31.9 2.3 48.3 98 98 A K E -H 103 0D 145 -2,-0.7 5,-0.2 5,-0.2 2,-0.0 -0.716 21.3-177.8 -87.9 98.2 33.6 5.3 49.8 99 99 A G - 0 0 40 3,-2.2 0, 0.0 -2,-1.1 0, 0.0 -0.195 41.2-104.6 -84.2-177.8 37.1 5.4 48.3 100 100 A T S S+ 0 0 143 1,-0.1 3,-0.1 -2,-0.0 -1,-0.1 0.688 120.2 28.8 -81.6 -18.4 39.9 7.9 49.1 101 101 A R S S- 0 0 242 1,-0.4 2,-0.3 0, 0.0 -1,-0.1 0.659 131.4 -6.2-112.4 -26.1 39.3 9.8 45.9 102 102 A Q - 0 0 93 -5,-0.1 -3,-2.2 2,-0.0 2,-0.4 -0.991 61.3-110.8-165.0 163.2 35.6 9.2 45.2 103 103 A E E -H 98 0D 54 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.853 37.6-167.7-100.9 133.1 32.4 7.4 46.2 104 104 A S E -H 97 0D 36 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.6 -0.962 21.7-129.4-129.2 146.1 31.2 4.8 43.7 105 105 A V E -H 96 0D 5 -2,-0.4 2,-0.7 28,-0.2 -9,-0.2 -0.792 23.7-151.0 -90.4 121.7 28.0 2.8 43.3 106 106 A V E -H 95 0D 75 -11,-3.1 -11,-1.5 -2,-0.6 2,-0.2 -0.857 14.0-166.6-100.7 116.1 28.7 -1.0 43.0 107 107 A F - 0 0 17 -2,-0.7 2,-0.3 -13,-0.2 -13,-0.1 -0.507 33.7 -95.8 -93.8 164.7 26.2 -2.9 40.9 108 108 A D > - 0 0 75 -15,-0.3 4,-2.4 -2,-0.2 5,-0.3 -0.646 40.7-123.3 -74.5 136.2 25.7 -6.6 40.6 109 109 A E H > S+ 0 0 158 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.898 110.2 47.1 -50.3 -46.4 27.7 -7.6 37.5 110 110 A E H > S+ 0 0 145 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 109.8 52.3 -64.3 -44.1 24.6 -9.1 35.8 111 111 A D H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.943 112.0 46.4 -57.3 -48.4 22.4 -6.2 36.7 112 112 A L H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.893 109.6 53.7 -61.4 -43.2 24.8 -3.7 35.1 113 113 A K H X S+ 0 0 138 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.955 110.4 47.8 -55.9 -51.2 25.3 -5.9 32.0 114 114 A Q H >X S+ 0 0 95 -4,-2.4 3,-1.0 1,-0.2 4,-0.6 0.898 111.5 48.9 -57.2 -47.7 21.6 -5.9 31.4 115 115 A L H >< S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.924 103.0 59.7 -62.0 -46.1 21.1 -2.2 31.9 116 116 A K H 3< S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.652 100.8 59.6 -59.2 -13.7 23.9 -1.1 29.6 117 117 A E H << S+ 0 0 143 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.3 0.731 86.3 89.8 -87.2 -23.6 22.1 -3.0 26.8 118 118 A K << - 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