==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-07 2QOR . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR E.A.MERRITT,I.LE TRONG,STRUCTURAL GENOMICS OF PATHOGENIC PRO . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 4 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 . 0 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 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 X 0 0 249 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.1 36.8 7.5 194.5 2 2 A A - 0 0 95 1,-0.1 2,-0.0 115,-0.0 0, 0.0 -0.169 360.0-119.4 -67.3 140.7 33.2 7.9 193.6 3 3 A R - 0 0 172 1,-0.1 -1,-0.1 115,-0.0 115,-0.0 -0.297 48.4 -80.3 -65.5 162.2 31.6 5.9 190.8 4 4 A I - 0 0 51 1,-0.1 94,-0.3 92,-0.1 -1,-0.1 -0.481 58.2-108.0 -68.2 130.0 30.1 7.9 187.9 5 5 A P - 0 0 27 0, 0.0 114,-0.2 0, 0.0 -1,-0.1 -0.409 31.4-115.2 -65.9 134.6 26.7 9.1 189.0 6 6 A P - 0 0 4 0, 0.0 114,-2.9 0, 0.0 2,-0.5 -0.342 23.5-122.0 -61.1 152.1 23.6 7.5 187.5 7 7 A L E -ab 99 120A 2 91,-2.4 93,-2.8 112,-0.2 2,-0.5 -0.865 27.7-165.0 -95.8 125.7 21.4 9.6 185.3 8 8 A V E -ab 100 121A 0 112,-3.3 114,-3.0 -2,-0.5 2,-0.5 -0.958 2.7-165.4-120.1 119.7 17.8 9.6 186.6 9 9 A V E +ab 101 122A 12 91,-2.8 93,-1.7 -2,-0.5 2,-0.3 -0.907 14.4 168.6-110.8 128.9 14.9 10.8 184.4 10 10 A C E + b 0 123A 0 112,-2.4 114,-2.9 -2,-0.5 93,-0.1 -0.949 10.1 123.4-137.2 149.7 11.5 11.6 185.9 11 11 A G - 0 0 3 -2,-0.3 114,-0.1 91,-0.3 3,-0.1 -0.866 56.1 -64.1 168.9 168.4 8.3 13.3 184.8 12 12 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 5,-0.3 -0.224 60.5 -90.0 -68.9 156.4 4.6 12.8 184.4 13 13 A S T 3 S+ 0 0 6 137,-0.3 123,-0.1 1,-0.2 141,-0.0 -0.448 114.6 31.5 -59.6 135.6 3.1 10.3 182.0 14 14 A G T 3 S+ 0 0 2 -2,-0.1 -1,-0.2 121,-0.1 121,-0.1 0.397 86.1 108.7 95.0 0.8 2.6 11.8 178.6 15 15 A V S < S- 0 0 6 -3,-1.5 -2,-0.1 109,-0.1 157,-0.1 0.604 86.7-116.7 -86.2 -10.6 5.6 14.2 178.8 16 16 A G > + 0 0 15 -4,-0.2 4,-1.9 -5,-0.1 5,-0.2 0.660 68.3 138.2 85.4 20.8 7.8 12.3 176.2 17 17 A K H > + 0 0 25 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.854 68.6 59.5 -68.9 -29.8 10.6 11.3 178.6 18 18 A G H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 106.7 46.6 -60.8 -46.3 10.8 7.8 177.0 19 19 A T H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 110.9 51.7 -63.8 -43.5 11.5 9.3 173.6 20 20 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.918 109.8 50.4 -58.1 -45.2 14.2 11.7 175.1 21 21 A I H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 107.6 53.3 -58.9 -43.0 15.8 8.6 176.8 22 22 A K H X S+ 0 0 112 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.846 107.8 51.7 -61.0 -34.5 15.8 6.7 173.5 23 23 A K H X S+ 0 0 75 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 108.5 50.2 -68.3 -40.0 17.6 9.7 171.9 24 24 A V H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.923 112.9 46.8 -61.0 -44.2 20.2 9.7 174.6 25 25 A L H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 110.2 54.7 -70.5 -27.0 20.8 6.0 174.1 26 26 A S H < S+ 0 0 96 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 116.3 35.3 -71.4 -42.5 20.9 6.6 170.3 27 27 A E H < S+ 0 0 52 -4,-2.1 169,-3.3 1,-0.2 -2,-0.2 0.849 132.5 29.1 -78.9 -35.3 23.7 9.2 170.6 28 28 A F >X + 0 0 0 -4,-2.7 3,-1.6 167,-0.2 4,-1.5 -0.383 69.7 145.4-122.9 49.9 25.6 7.5 173.5 29 29 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.758 76.5 46.9 -69.2 -26.1 24.9 3.8 173.2 30 30 A S T 34 S+ 0 0 62 166,-2.0 3,-0.1 -3,-0.2 -5,-0.1 0.409 112.6 52.9 -85.9 -2.4 28.3 2.7 174.5 31 31 A R T <4 S+ 0 0 79 -3,-1.6 66,-2.9 165,-0.4 2,-0.3 0.744 105.9 43.4-107.4 -30.8 28.2 5.1 177.4 32 32 A F E < -c 97 0A 3 -4,-1.5 2,-0.4 64,-0.2 66,-0.2 -0.869 57.6-156.7-117.2 149.9 24.8 4.4 179.2 33 33 A R E -c 98 0A 42 64,-2.3 66,-2.5 -2,-0.3 2,-0.3 -0.993 23.8-131.9-123.1 124.0 23.0 1.2 180.2 34 34 A F E -c 99 0A 48 -2,-0.4 2,-0.6 64,-0.2 66,-0.2 -0.561 17.9-126.5 -74.3 130.1 19.2 1.5 180.6 35 35 A S - 0 0 0 64,-2.8 2,-0.9 -2,-0.3 66,-0.4 -0.695 18.4-142.9 -78.2 116.9 17.9 -0.0 183.8 36 36 A I - 0 0 14 -2,-0.6 48,-0.3 14,-0.1 17,-0.2 -0.740 21.3-154.0 -85.5 106.8 15.1 -2.4 182.9 37 37 A S E -e 53 0B 8 -2,-0.9 17,-2.7 15,-0.5 2,-0.4 -0.298 12.6-118.9 -75.3 156.6 12.5 -2.1 185.6 38 38 A C E +eF 54 82B 1 44,-2.6 44,-2.1 15,-0.2 2,-0.3 -0.827 36.7 177.4 -86.7 142.9 10.0 -4.7 186.7 39 39 A T E -eF 55 81B 0 15,-2.1 17,-2.5 -2,-0.4 42,-0.2 -0.993 33.7-153.4-143.7 151.4 6.4 -3.8 186.3 40 40 A T + 0 0 17 40,-1.8 18,-0.2 -2,-0.3 41,-0.1 0.451 66.3 108.5 -94.3 -6.2 3.1 -5.6 186.8 41 41 A R S S- 0 0 23 39,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.336 83.1 -91.5 -72.5 156.7 1.2 -3.4 184.2 42 42 A N - 0 0 123 1,-0.1 2,-0.2 13,-0.1 -1,-0.1 -0.442 42.3-113.6 -68.0 140.6 0.2 -5.0 180.9 43 43 A K - 0 0 95 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.498 27.1-127.6 -73.4 139.9 2.7 -4.8 178.1 44 44 A R > - 0 0 68 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.516 32.2 -98.9 -84.6 163.6 1.6 -2.6 175.1 45 45 A E T 3 S+ 0 0 182 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.797 120.0 39.2 -63.3 -30.2 1.9 -4.2 171.7 46 46 A K T 3 S+ 0 0 197 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.217 94.6 99.1-106.2 17.4 5.2 -2.6 170.6 47 47 A E < - 0 0 34 -3,-1.9 2,-0.4 4,-0.0 -4,-0.0 -0.654 64.9-140.7 -89.3 158.9 6.9 -2.9 174.0 48 48 A T >>> - 0 0 72 -2,-0.2 4,-2.0 -5,-0.0 3,-2.0 -0.983 12.0-122.7-130.0 125.9 9.3 -5.8 174.5 49 49 A N B 345S+g 53 0B 94 -2,-0.4 5,-0.2 1,-0.3 -6,-0.0 -0.453 103.4 21.9 -62.8 127.2 9.8 -7.9 177.7 50 50 A G T 345S+ 0 0 30 3,-3.0 -1,-0.3 -13,-0.2 4,-0.2 0.558 124.0 56.2 85.7 10.9 13.4 -7.6 178.7 51 51 A V T <45S+ 0 0 82 -3,-2.0 -2,-0.2 2,-0.7 3,-0.1 0.511 120.4 16.7-129.2 -58.3 14.0 -4.3 176.8 52 52 A D T <5S- 0 0 37 -4,-2.0 -15,-0.5 1,-0.4 2,-0.3 0.893 136.2 -23.5 -84.4 -45.9 11.5 -1.8 178.1 53 53 A Y E < -eg 37 49B 33 -5,-0.9 -3,-3.0 -17,-0.2 -2,-0.7 -0.936 58.4-110.1-150.5 165.3 10.5 -3.6 181.3 54 54 A Y E -e 38 0B 71 -17,-2.7 -15,-2.1 -2,-0.3 2,-0.7 -0.962 41.0-147.3 -94.2 109.5 10.5 -7.1 182.7 55 55 A F E +e 39 0B 38 -2,-0.7 2,-0.2 -17,-0.2 -15,-0.2 -0.751 30.2 163.8 -85.0 114.7 6.7 -7.6 182.7 56 56 A V - 0 0 30 -17,-2.5 2,-0.2 -2,-0.7 -2,-0.0 -0.766 38.5-105.0-125.7 164.4 5.8 -9.8 185.7 57 57 A D > - 0 0 85 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.550 39.2-105.0 -87.6 166.2 2.6 -10.7 187.6 58 58 A K H > S+ 0 0 127 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.828 120.2 57.7 -63.2 -33.7 2.0 -9.1 191.0 59 59 A D H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.914 109.7 43.6 -58.1 -45.3 2.8 -12.4 192.7 60 60 A D H > S+ 0 0 67 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.830 110.7 55.2 -74.9 -30.4 6.2 -12.5 191.1 61 61 A F H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 109.6 47.1 -62.8 -47.1 6.8 -8.8 191.9 62 62 A E H X S+ 0 0 98 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.881 111.4 51.0 -61.3 -42.1 6.1 -9.5 195.6 63 63 A R H X S+ 0 0 141 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.938 111.0 48.1 -60.7 -47.6 8.4 -12.5 195.6 64 64 A K H <>S+ 0 0 76 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.906 112.3 49.8 -60.1 -43.8 11.2 -10.5 194.1 65 65 A L H ><5S+ 0 0 55 -4,-2.5 3,-1.4 1,-0.2 5,-0.3 0.947 112.4 45.4 -57.9 -50.7 10.6 -7.7 196.6 66 66 A K H 3<5S+ 0 0 144 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 108.2 57.7 -70.3 -27.6 10.7 -10.0 199.6 67 67 A E T 3<5S- 0 0 154 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.480 119.7-111.0 -79.2 -3.2 13.8 -11.8 198.3 68 68 A G T < 5S+ 0 0 35 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.718 74.9 134.7 86.7 23.4 15.6 -8.4 198.2 69 69 A Q < + 0 0 85 -5,-2.5 16,-2.6 -6,-0.2 17,-0.4 0.644 50.3 81.8 -75.6 -19.4 15.9 -7.9 194.5 70 70 A F E -H 84 0B 17 -6,-0.3 14,-0.2 -5,-0.3 3,-0.1 -0.765 49.6-168.5-103.1 140.0 14.8 -4.2 194.5 71 71 A L E S- 0 0 20 12,-2.9 2,-0.3 -2,-0.4 -1,-0.1 0.736 87.0 -12.5 -79.7 -32.8 16.6 -0.9 195.2 72 72 A E E -H 83 0B 9 11,-0.8 11,-1.9 2,-0.0 -1,-0.4 -0.970 65.8-175.7-160.3 161.4 13.3 0.9 195.2 73 73 A F E +H 82 0B 76 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 1.8 179.7-157.0 161.3 9.7 0.3 194.2 74 74 A D E -H 81 0B 28 7,-2.5 7,-2.7 -2,-0.3 2,-0.5 -0.980 31.1-116.4-155.5 162.2 6.4 2.1 194.1 75 75 A K E +H 80 0B 122 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.933 36.0 177.6 -96.4 128.5 2.8 1.6 193.2 76 76 A Y E > -H 79 0B 18 3,-3.3 3,-1.7 -2,-0.5 74,-0.1 -0.991 66.6 -16.1-133.8 123.3 1.9 3.9 190.2 77 77 A A T 3 S- 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 73,-0.1 0.923 129.3 -47.7 50.8 52.2 -1.6 3.9 188.7 78 78 A N T 3 S+ 0 0 108 1,-0.2 2,-0.3 71,-0.1 -1,-0.3 0.556 122.4 91.1 68.0 9.9 -2.7 0.6 190.3 79 79 A N E < S- H 0 76B 43 -3,-1.7 -3,-3.3 -38,-0.0 2,-0.4 -0.922 71.7-118.2-132.3 162.0 0.5 -1.3 189.3 80 80 A F E - H 0 75B 51 -2,-0.3 -40,-1.8 -5,-0.2 -39,-0.4 -0.771 24.7-175.7-100.4 141.5 3.9 -1.9 190.8 81 81 A Y E +FH 39 74B 32 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.3 -0.982 7.4 176.1-135.1 144.8 7.2 -0.8 189.4 82 82 A G E -FH 38 73B 0 -44,-2.1 -44,-2.6 -2,-0.3 2,-0.5 -0.995 28.0-130.7-158.5 144.0 10.7 -1.5 190.7 83 83 A T E - H 0 72B 0 -11,-1.9 -12,-2.9 -2,-0.3 -11,-0.8 -0.840 30.2-134.4 -98.0 125.2 14.4 -1.1 190.0 84 84 A L E >> - H 0 70B 11 -2,-0.5 4,-1.5 -48,-0.3 3,-0.7 -0.623 5.7-143.9 -83.9 132.7 16.5 -4.2 190.2 85 85 A K H 3> S+ 0 0 66 -16,-2.6 4,-2.6 -2,-0.4 3,-0.2 0.906 103.1 60.2 -52.6 -44.6 19.8 -4.2 192.1 86 86 A S H 3> S+ 0 0 51 -17,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.802 100.9 53.6 -55.7 -32.9 21.1 -6.6 189.4 87 87 A E H <> S+ 0 0 3 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.895 109.8 45.9 -74.3 -39.9 20.4 -4.0 186.6 88 88 A Y H X S+ 0 0 25 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.934 111.8 54.1 -63.4 -42.9 22.4 -1.3 188.4 89 89 A D H X S+ 0 0 100 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.854 104.8 53.7 -60.1 -39.1 25.2 -3.9 189.0 90 90 A L H X S+ 0 0 77 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.885 108.3 49.3 -61.5 -42.0 25.3 -4.7 185.3 91 91 A A H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 4,-0.4 0.956 112.9 48.1 -61.2 -48.1 25.8 -1.1 184.4 92 92 A V H ><5S+ 0 0 37 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.913 110.0 50.6 -59.3 -46.5 28.6 -0.9 187.0 93 93 A G H 3<5S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.8 50.3 -60.4 -31.0 30.3 -4.1 185.8 94 94 A E T 3<5S- 0 0 104 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.485 111.9-121.1 -85.3 -3.8 30.2 -2.7 182.2 95 95 A G T < 5 + 0 0 65 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.678 69.0 135.3 69.8 20.6 31.8 0.6 183.4 96 96 A K < - 0 0 54 -5,-2.4 2,-0.6 -6,-0.2 -64,-0.2 -0.503 65.3-102.3-101.1 164.9 28.7 2.4 182.0 97 97 A I E - c 0 32A 7 -66,-2.9 -64,-2.3 -2,-0.2 2,-0.3 -0.760 39.7-130.0 -79.9 124.3 26.5 5.2 183.4 98 98 A C E - c 0 33A 3 -2,-0.6 -91,-2.4 -94,-0.3 2,-0.6 -0.595 18.6-155.0 -76.3 133.3 23.3 3.6 184.6 99 99 A L E -ac 7 34A 0 -66,-2.5 -64,-2.8 -2,-0.3 2,-0.4 -0.957 13.7-173.7-112.6 113.6 20.2 5.4 183.2 100 100 A F E -a 8 0A 2 -93,-2.8 -91,-2.8 -2,-0.6 2,-0.5 -0.864 14.8-163.9-103.8 144.4 17.1 5.0 185.3 101 101 A E E +a 9 0A 40 -2,-0.4 2,-0.3 -66,-0.4 -91,-0.2 -0.994 33.6 140.7-121.7 120.7 13.6 6.1 184.5 102 102 A X - 0 0 14 -93,-1.7 -91,-0.3 -2,-0.5 -2,-0.0 -0.967 47.1 -97.1-152.2 165.5 11.3 6.3 187.5 103 103 A N > - 0 0 23 -2,-0.3 4,-2.3 -93,-0.1 3,-0.2 -0.159 48.9 -89.7 -82.5 178.5 8.6 8.3 189.2 104 104 A I H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.867 125.4 52.8 -65.6 -35.4 9.0 10.8 191.9 105 105 A N H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 108.8 51.3 -66.7 -37.1 8.6 8.3 194.8 106 106 A G H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.918 108.7 51.9 -62.7 -42.9 11.4 6.2 193.2 107 107 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 107.8 51.1 -56.7 -48.6 13.6 9.3 193.1 108 108 A K H X S+ 0 0 58 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.897 112.5 47.4 -56.1 -41.7 12.9 10.0 196.8 109 109 A Q H >X S+ 0 0 62 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.896 109.7 50.6 -68.3 -43.3 14.0 6.4 197.6 110 110 A L H >< S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 6,-0.2 0.903 105.6 57.7 -63.2 -38.9 17.1 6.4 195.4 111 111 A K H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 111.7 41.9 -61.9 -26.9 18.2 9.7 197.1 112 112 A E H << S+ 0 0 158 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.492 91.9 114.8 -96.4 -4.9 18.1 8.0 200.5 113 113 A S << - 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