==== 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 03-JAN-03 1NKI . COMPND 2 MOLECULE: PROBABLE FOSFOMYCIN RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.L.RIFE,R.E.PHARRIS,M.E.NEWCOMER,R.N.ARMSTRONG . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 26.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 4 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 69 0, 0.0 204,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -35.1 50.5 14.4 17.3 2 2 A L E -A 204 0A 13 159,-0.5 202,-0.2 202,-0.1 176,-0.1 -0.533 360.0-159.5 -76.2 152.2 47.5 16.1 15.8 3 3 A T E - 0 0 88 200,-2.4 176,-0.4 1,-0.4 2,-0.3 0.571 47.7 -75.6-112.2 -13.8 48.0 17.9 12.5 4 4 A G E S- 0 0 5 199,-0.5 199,-1.9 174,-0.2 2,-0.5 -0.955 79.5 -20.8 144.0-162.3 45.2 20.5 12.2 5 5 A L E +A 202 0A 46 -2,-0.3 197,-0.3 197,-0.2 3,-0.1 -0.706 46.3 178.7 -84.6 131.8 41.5 20.4 11.3 6 6 A N E - 0 0 28 195,-3.0 40,-0.4 -2,-0.5 2,-0.3 0.870 63.5 -21.7 -95.6 -48.3 40.4 17.3 9.5 7 7 A H E -A 201 0A 6 194,-1.6 194,-2.7 38,-0.1 2,-0.4 -0.981 48.3-134.5-161.6 158.7 36.6 18.0 9.1 8 8 A L E -Ab 200 47A 4 38,-2.3 40,-2.8 -2,-0.3 2,-0.5 -0.989 21.3-163.5-113.9 125.4 33.7 20.0 10.5 9 9 A T E -Ab 199 48A 4 190,-2.7 190,-2.1 -2,-0.4 2,-0.4 -0.967 4.6-169.4-117.3 126.9 30.4 18.2 11.1 10 10 A L E - b 0 49A 0 38,-2.7 40,-2.7 -2,-0.5 2,-0.3 -0.955 21.2-130.1-114.5 131.6 27.2 20.1 11.7 11 11 A A E - b 0 50A 0 -2,-0.4 2,-0.4 38,-0.2 40,-0.2 -0.568 31.8-173.1 -70.2 137.1 23.9 18.7 12.8 12 12 A V E - b 0 51A 0 38,-2.5 40,-2.9 -2,-0.3 3,-0.2 -0.999 25.4-161.6-136.2 135.8 21.1 19.9 10.4 13 13 A A S S+ 0 0 29 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.800 90.4 39.7 -80.2 -32.3 17.3 19.5 10.8 14 14 A D > - 0 0 88 1,-0.2 4,-2.4 38,-0.0 -1,-0.2 -0.886 67.5-174.6-126.0 90.6 16.5 20.2 7.1 15 15 A L H > S+ 0 0 8 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.926 82.5 50.1 -60.5 -48.6 19.1 18.6 4.9 16 16 A P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.931 112.4 48.2 -56.0 -43.2 17.9 19.9 1.5 17 17 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 113.9 47.1 -64.5 -42.1 17.8 23.5 2.9 18 18 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.909 110.5 50.7 -69.6 -40.9 21.3 23.2 4.4 19 19 A I H X S+ 0 0 1 -4,-2.9 4,-2.9 -5,-0.2 5,-0.5 0.944 111.8 48.6 -58.6 -47.3 22.8 21.7 1.2 20 20 A A H X>S+ 0 0 38 -4,-2.3 4,-2.1 -5,-0.3 5,-1.0 0.917 112.6 49.3 -60.2 -41.0 21.3 24.5 -0.8 21 21 A F H X>S+ 0 0 19 -4,-2.1 5,-1.8 3,-0.2 4,-1.1 0.965 117.6 37.3 -59.7 -58.3 22.7 27.1 1.7 22 22 A Y H <5S+ 0 0 0 -4,-2.7 6,-2.7 3,-0.2 -2,-0.2 0.917 124.9 40.1 -66.6 -40.1 26.2 25.8 1.8 23 23 A R H X5S+ 0 0 86 -4,-2.9 4,-0.7 -5,-0.3 -3,-0.2 0.970 127.4 26.7 -70.8 -55.2 26.4 24.9 -1.9 24 24 A D H <5S+ 0 0 94 -4,-2.1 -3,-0.2 -5,-0.5 -2,-0.1 0.884 131.3 31.0 -89.0 -39.4 24.6 27.8 -3.5 25 25 A L T < -C 37 0A 38 3,-2.8 3,-1.3 -2,-0.3 231,-0.2 -0.874 53.2 -81.4-147.4 178.7 22.8 10.3 1.2 35 35 A D T 3 S+ 0 0 88 229,-2.4 230,-0.1 -2,-0.3 -20,-0.1 0.757 127.0 30.4 -59.6 -26.0 19.6 9.9 3.0 36 36 A Q T 3 S- 0 0 95 228,-0.3 15,-2.4 1,-0.1 2,-0.3 0.186 125.2 -13.6-119.7 14.6 21.1 11.1 6.3 37 37 A G E < -CE 34 50A 0 -3,-1.3 -3,-2.8 13,-0.2 2,-0.3 -0.999 51.1-122.9 176.9-173.9 23.8 13.5 5.3 38 38 A A E -CE 33 49A 0 11,-1.9 11,-2.6 -2,-0.3 2,-0.4 -0.990 10.5-141.0-154.5 153.8 26.2 15.2 2.9 39 39 A Y E +CE 32 48A 9 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.8 -0.982 27.0 173.9-116.4 127.8 29.9 15.8 2.3 40 40 A L E -CE 30 47A 0 7,-2.8 7,-2.7 -2,-0.4 2,-0.4 -0.899 16.0-149.2-130.2 161.2 31.0 19.2 0.9 41 41 A E E +CE 29 46A 50 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.4 -0.997 14.2 176.9-138.0 137.8 34.3 20.8 0.3 42 42 A L E > S- E 0 45A 9 3,-2.1 3,-2.5 -2,-0.4 98,-0.2 -0.943 74.1 -46.3-135.2 109.8 35.5 24.5 0.3 43 43 A G T 3 S- 0 0 54 -2,-0.4 96,-0.2 1,-0.3 95,-0.0 -0.480 125.6 -24.7 61.1-131.2 39.2 24.9 -0.3 44 44 A S T 3 S+ 0 0 111 94,-0.4 2,-0.5 -2,-0.2 -1,-0.3 0.449 113.3 115.2 -90.2 -0.5 40.8 22.3 2.0 45 45 A L E < - E 0 42A 7 -3,-2.5 -3,-2.1 93,-0.1 2,-0.6 -0.628 51.6-157.9 -78.1 123.7 37.7 22.3 4.3 46 46 A W E - E 0 41A 4 -2,-0.5 -38,-2.3 -40,-0.4 2,-0.5 -0.890 13.2-168.3 -95.8 115.1 35.7 19.1 4.5 47 47 A L E -bE 8 40A 0 -7,-2.7 -7,-2.8 -2,-0.6 2,-0.5 -0.919 4.8-164.9-104.8 131.2 32.2 19.9 5.8 48 48 A C E -bE 9 39A 8 -40,-2.8 -38,-2.7 -2,-0.5 2,-0.5 -0.963 4.4-158.7-112.0 128.3 29.9 17.1 6.9 49 49 A L E -bE 10 38A 1 -11,-2.6 -11,-1.9 -2,-0.5 2,-0.6 -0.945 9.2-162.9-104.2 127.4 26.1 17.8 7.3 50 50 A S E -bE 11 37A 24 -40,-2.7 -38,-2.5 -2,-0.5 2,-0.2 -0.943 18.2-128.3-116.6 115.3 24.4 15.2 9.5 51 51 A R E +b 12 0A 101 -15,-2.4 -38,-0.2 -2,-0.6 -40,-0.1 -0.468 36.2 162.6 -71.3 125.8 20.7 15.0 9.3 52 52 A E > - 0 0 55 -40,-2.9 3,-2.4 -2,-0.2 -1,-0.1 -0.824 20.0-164.2-139.7 82.9 19.0 15.3 12.7 53 53 A P T 3 S+ 0 0 74 0, 0.0 -40,-0.1 0, 0.0 -1,-0.1 0.777 86.5 47.5 -56.6 -24.7 15.3 16.1 12.0 54 54 A Q T 3 S+ 0 0 181 -42,-0.1 2,-0.1 2,-0.0 -41,-0.1 0.443 81.2 129.2 -92.0 4.6 14.5 17.2 15.6 55 55 A Y < - 0 0 30 -3,-2.4 -42,-0.1 1,-0.1 -3,-0.1 -0.362 38.7-169.4 -63.0 133.2 17.6 19.4 15.9 56 56 A G - 0 0 74 1,-0.3 -1,-0.1 -2,-0.1 -44,-0.0 0.371 41.1-108.3-104.3 4.3 16.8 22.9 17.2 57 57 A G - 0 0 19 49,-0.0 -1,-0.3 2,-0.0 49,-0.2 -0.148 50.3 -51.6 86.2 169.2 20.1 24.6 16.6 58 58 A P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.294 54.9-110.8 -75.6 160.8 22.6 25.7 19.3 59 59 A A - 0 0 77 1,-0.1 2,-0.7 -2,-0.0 135,-0.0 -0.256 53.4 -71.7 -77.3 176.1 21.8 27.9 22.3 60 60 A A S S+ 0 0 95 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.642 82.1 114.7 -83.4 110.8 23.2 31.4 22.5 61 61 A D S S- 0 0 18 -2,-0.7 126,-0.0 2,-0.2 84,-0.0 -0.896 76.1 -92.3-159.4 179.6 26.9 31.5 23.1 62 62 A Y S S+ 0 0 54 -2,-0.3 2,-0.2 123,-0.2 82,-0.1 0.405 74.9 127.4 -89.1 2.7 30.0 32.6 21.2 63 63 A T + 0 0 8 82,-0.1 45,-0.4 122,-0.1 2,-0.3 -0.441 36.2 149.3 -62.0 131.0 30.8 29.2 19.5 64 64 A H E -I 144 0B 2 80,-2.2 80,-2.7 -2,-0.2 2,-0.5 -0.987 44.5-125.6-161.4 166.2 31.1 29.9 15.8 65 65 A Y E -Ij 143 109B 10 43,-2.3 45,-1.6 -2,-0.3 2,-0.5 -0.969 22.8-158.2-124.4 119.2 32.8 28.9 12.6 66 66 A A E -Ij 142 110B 0 76,-2.7 75,-3.0 -2,-0.5 76,-1.5 -0.881 2.3-162.7-108.1 132.4 34.7 31.4 10.4 67 67 A F E -Ij 140 111B 0 43,-3.3 45,-2.7 -2,-0.5 73,-0.2 -0.808 25.0-114.7-104.4 145.9 35.5 31.0 6.7 68 68 A G E + j 0 112B 2 71,-1.9 70,-2.3 -2,-0.3 71,-0.4 -0.467 33.4 174.6 -81.1 156.0 38.1 33.0 5.0 69 69 A I E -I 137 0B 9 43,-1.7 45,-0.3 68,-0.2 2,-0.2 -0.979 31.6-108.9-154.2 145.8 37.5 35.6 2.3 70 70 A A >> - 0 0 48 66,-0.6 3,-1.5 -2,-0.3 4,-0.9 -0.504 30.4-115.4 -75.0 150.1 39.7 38.1 0.4 71 71 A A H >> S+ 0 0 69 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.875 114.0 53.3 -47.0 -48.0 39.4 41.8 1.1 72 72 A A H 34 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.696 111.0 45.8 -71.3 -18.0 38.2 42.5 -2.4 73 73 A D H <> S+ 0 0 61 -3,-1.5 4,-2.1 63,-0.1 -1,-0.3 0.538 91.2 86.6 -93.3 -12.7 35.4 40.0 -2.3 74 74 A F H S+ 0 0 210 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.907 111.4 49.6 -62.8 -40.9 30.0 41.7 -2.4 77 77 A F H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.945 112.4 46.4 -62.6 -49.5 29.6 38.6 -0.2 78 78 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.923 114.8 47.7 -58.6 -47.6 28.0 40.6 2.7 79 79 A A H X S+ 0 0 59 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.894 111.1 51.5 -61.9 -41.8 25.7 42.4 0.3 80 80 A Q H X S+ 0 0 82 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.929 112.7 43.6 -62.2 -46.8 24.7 39.2 -1.4 81 81 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.4 0.921 112.9 52.6 -69.8 -37.4 23.8 37.4 1.8 82 82 A R H ><5S+ 0 0 139 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.2 0.924 108.8 50.4 -57.7 -43.4 21.9 40.4 3.1 83 83 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.4 56.8 -68.7 -26.0 19.9 40.6 -0.1 84 84 A H T 3<5S- 0 0 120 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.525 120.7-107.7 -79.6 -4.6 19.1 36.9 0.3 85 85 A G T < 5 + 0 0 65 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.1 0.654 59.1 163.4 90.6 12.2 17.6 37.5 3.7 86 86 A V < - 0 0 22 -5,-2.2 2,-0.3 1,-0.1 -1,-0.2 -0.455 35.4-125.2 -70.2 137.6 20.4 35.9 5.8 87 87 A R - 0 0 179 15,-0.3 15,-2.5 -2,-0.1 2,-0.3 -0.682 16.9-141.1 -86.4 136.9 20.2 36.9 9.5 88 88 A E E -K 101 0B 71 -2,-0.3 13,-0.3 13,-0.2 3,-0.1 -0.683 14.7-173.1 -97.4 151.3 23.2 38.4 11.2 89 89 A W E + 0 0 61 11,-1.6 2,-0.3 1,-0.3 12,-0.2 0.450 69.5 20.9-120.9 -5.3 24.2 37.6 14.8 90 90 A K E -K 100 0B 61 10,-0.8 10,-0.7 2,-0.0 2,-0.5 -0.947 63.3-132.6-162.3 141.4 27.0 40.1 15.4 91 91 A Q - 0 0 151 -2,-0.3 8,-0.1 -3,-0.1 -3,-0.0 -0.879 47.5 -98.9 -91.6 132.1 28.3 43.4 14.1 92 92 A N + 0 0 51 6,-0.5 4,-0.1 -2,-0.5 5,-0.1 -0.170 54.3 152.4 -59.8 136.1 32.1 43.3 13.5 93 93 A R + 0 0 197 2,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.535 49.3 78.3-130.0 -26.0 34.3 44.9 16.1 94 94 A S S S- 0 0 34 1,-0.2 4,-0.1 2,-0.1 25,-0.0 -0.351 94.7 -64.7 -90.3 169.5 37.7 43.0 15.9 95 95 A E S S+ 0 0 54 24,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.140 102.4 29.4 -53.9 141.6 40.5 43.4 13.4 96 96 A G S S- 0 0 23 -3,-0.1 -2,-0.1 16,-0.1 18,-0.1 0.475 100.4 -70.3 82.6 135.7 39.7 42.5 9.8 97 97 A D + 0 0 88 15,-0.1 16,-2.7 -5,-0.1 2,-0.3 -0.244 57.9 179.1 -52.5 137.0 36.4 42.8 8.0 98 98 A S E - L 0 112B 9 14,-0.2 -6,-0.5 -4,-0.1 2,-0.5 -0.990 23.3-160.3-145.9 142.2 33.9 40.2 9.3 99 99 A F E - L 0 111B 2 12,-2.1 12,-2.2 -2,-0.3 2,-0.6 -0.994 14.9-157.5-121.1 120.0 30.3 39.3 8.4 100 100 A Y E +KL 90 110B 4 -10,-0.7 -11,-1.6 -2,-0.5 -10,-0.8 -0.913 25.2 160.3-110.6 110.6 28.6 37.3 11.1 101 101 A F E -KL 88 109B 0 8,-1.4 8,-2.9 -2,-0.6 2,-0.3 -0.888 33.9-118.5-137.2 157.9 25.6 35.3 9.9 102 102 A L E - L 0 108B 28 -15,-2.5 -15,-0.3 -2,-0.3 6,-0.2 -0.741 18.6-138.7 -98.3 143.0 23.4 32.3 10.8 103 103 A D > - 0 0 8 4,-2.3 3,-1.5 -2,-0.3 -16,-0.1 -0.318 46.4 -83.3 -83.5 178.0 22.9 29.1 8.8 104 104 A P T 3 S+ 0 0 66 0, 0.0 -86,-0.1 0, 0.0 -1,-0.0 0.776 132.0 41.9 -58.7 -27.7 19.4 27.5 8.4 105 105 A D T 3 S- 0 0 23 -94,-0.1 -94,-0.0 2,-0.1 -93,-0.0 0.541 123.8 -99.6 -90.0 -11.3 19.7 25.8 11.8 106 106 A G < + 0 0 20 -3,-1.5 2,-0.1 1,-0.3 -50,-0.0 0.500 65.8 156.6 94.9 10.0 21.2 28.8 13.6 107 107 A H - 0 0 2 1,-0.1 -4,-2.3 -50,-0.1 2,-0.6 -0.481 47.8-117.0 -59.6 140.2 24.8 27.6 13.6 108 108 A R E + L 0 102B 23 -45,-0.4 -43,-2.3 -6,-0.2 2,-0.2 -0.733 40.2 178.9 -90.9 121.3 26.9 30.8 13.9 109 109 A L E -jL 65 101B 0 -8,-2.9 -8,-1.4 -2,-0.6 2,-0.3 -0.734 11.2-166.6-118.2 163.8 29.1 31.5 10.9 110 110 A E E -jL 66 100B 1 -45,-1.6 -43,-3.3 -2,-0.2 2,-0.5 -0.990 15.5-150.9-148.7 143.3 31.5 34.3 9.9 111 111 A A E -jL 67 99B 0 -12,-2.2 -12,-2.1 -2,-0.3 2,-0.4 -0.996 32.9-171.9-111.6 122.8 33.3 35.4 6.7 112 112 A H E -jL 68 98B 1 -45,-2.7 -43,-1.7 -2,-0.5 2,-0.6 -0.969 27.2-147.7-128.6 136.6 36.6 37.0 7.7 113 113 A V S S+ 0 0 28 -16,-2.7 2,-0.2 -2,-0.4 -43,-0.1 -0.892 72.9 28.6 -96.9 117.6 39.4 39.0 6.1 114 114 A G - 0 0 28 -2,-0.6 2,-0.2 -45,-0.3 -45,-0.2 -0.719 69.0-123.5 124.8-176.8 42.7 38.2 7.8 115 115 A D > - 0 0 84 -2,-0.2 4,-2.3 -47,-0.1 5,-0.2 -0.827 43.2 -74.0-153.9-173.9 44.3 35.3 9.7 116 116 A L H > S+ 0 0 6 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.919 126.6 53.1 -63.2 -38.6 46.0 34.5 13.0 117 117 A R H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 109.4 46.6 -65.0 -40.2 49.1 36.4 12.0 118 118 A S H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 113.4 50.7 -69.7 -33.1 47.3 39.6 11.1 119 119 A R H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.945 110.9 47.7 -65.0 -48.3 45.3 39.3 14.4 120 120 A L H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.899 110.9 51.7 -62.3 -37.1 48.4 38.9 16.5 121 121 A A H X S+ 0 0 50 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.928 111.4 46.3 -67.0 -38.9 50.1 41.8 14.8 122 122 A A H X S+ 0 0 32 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.908 113.7 49.9 -67.2 -41.0 47.2 44.0 15.5 123 123 A C H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 105.0 56.9 -65.0 -36.6 47.0 42.8 19.1 124 124 A R H < S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.3 45.4 -58.7 -39.0 50.8 43.4 19.6 125 125 A Q H < S+ 0 0 174 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.799 136.2 14.1 -79.3 -24.6 50.2 47.0 18.6 126 126 A A S < S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.579 85.6-157.1-150.1 72.9 47.1 47.2 20.9 127 127 A P - 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