==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TR0 . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.5 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 . 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 . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 35.3 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 1 1 0 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 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 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 N 0 0 120 0, 0.0 93,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 20.5 13.3 21.7 -23.3 2 3 A K - 0 0 68 91,-0.2 89,-0.1 182,-0.0 88,-0.1 -0.606 360.0-167.1-129.7 73.8 11.0 24.4 -24.3 3 4 A A - 0 0 16 87,-0.5 2,-0.3 -2,-0.1 92,-0.1 -0.181 3.5-164.2 -67.2 153.2 7.9 23.2 -22.4 4 5 A N - 0 0 4 89,-0.1 92,-2.2 110,-0.0 2,-0.4 -0.824 21.2-110.7-132.7 166.7 4.5 24.6 -23.1 5 6 A L E -a 96 0A 2 -2,-0.3 111,-2.0 90,-0.2 2,-0.6 -0.876 23.5-160.7 -99.0 135.2 1.0 24.7 -21.5 6 7 A F E -ab 97 116A 0 90,-2.9 92,-2.6 -2,-0.4 2,-0.4 -0.939 8.3-155.3-119.2 107.7 -1.8 22.8 -23.2 7 8 A I E -ab 98 117A 0 109,-2.8 111,-3.0 -2,-0.6 2,-0.5 -0.687 7.5-168.2 -85.9 128.8 -5.2 24.0 -22.2 8 9 A I E +ab 99 118A 0 90,-3.2 92,-0.9 -2,-0.4 2,-0.3 -0.974 11.8 172.9-119.0 118.7 -8.0 21.4 -22.5 9 10 A S E + b 0 119A 0 109,-2.5 111,-2.8 -2,-0.5 92,-0.1 -0.928 6.5 147.1-126.2 150.9 -11.6 22.7 -22.2 10 11 A A - 0 0 9 -2,-0.3 111,-0.1 109,-0.2 3,-0.1 -0.958 48.4 -88.7-170.9 155.1 -15.0 21.1 -22.7 11 12 A P > - 0 0 5 0, 0.0 3,-1.4 0, 0.0 5,-0.3 -0.399 61.9 -85.7 -66.9 153.1 -18.6 21.1 -21.4 12 13 A S T 3 S+ 0 0 59 1,-0.2 120,-0.1 134,-0.2 119,-0.1 -0.359 117.6 31.6 -57.9 137.5 -19.2 18.7 -18.5 13 14 A G T 3 S+ 0 0 3 118,-0.1 118,-0.2 -3,-0.1 -1,-0.2 0.515 82.6 113.3 91.6 6.7 -20.0 15.3 -19.8 14 15 A A S < S- 0 0 1 -3,-1.4 -2,-0.1 108,-0.1 152,-0.1 0.565 87.7-114.2 -87.2 -9.1 -17.8 15.5 -22.9 15 16 A G > + 0 0 5 -4,-0.1 4,-1.8 113,-0.1 5,-0.1 0.682 69.5 141.1 85.8 20.6 -15.4 12.8 -21.6 16 17 A K H > + 0 0 43 -5,-0.3 4,-2.6 1,-0.2 5,-0.3 0.918 64.3 54.6 -62.9 -47.9 -12.5 15.2 -21.3 17 18 A T H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 110.4 46.8 -55.8 -44.1 -11.1 13.8 -18.0 18 19 A S H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 111.7 50.9 -65.2 -41.0 -10.8 10.3 -19.5 19 20 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.934 110.1 49.3 -60.0 -48.8 -9.2 11.6 -22.7 20 21 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.869 108.7 53.1 -61.9 -37.7 -6.6 13.6 -20.9 21 22 A R H X S+ 0 0 107 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.871 111.2 45.7 -67.0 -36.5 -5.7 10.6 -18.7 22 23 A A H X S+ 0 0 28 -4,-1.8 4,-1.4 2,-0.2 3,-0.4 0.862 108.0 59.2 -71.2 -37.0 -5.2 8.4 -21.7 23 24 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.5 0.916 104.0 49.0 -56.4 -46.7 -3.2 11.2 -23.4 24 25 A V H < S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 6,-0.2 0.727 108.8 54.5 -70.8 -19.8 -0.6 11.3 -20.5 25 26 A K H < S+ 0 0 179 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.776 111.1 45.2 -79.2 -27.7 -0.3 7.5 -20.7 26 27 A A H < S+ 0 0 61 -4,-1.4 2,-0.3 -3,-0.5 -2,-0.2 0.728 112.0 55.2 -88.1 -25.2 0.5 7.6 -24.5 27 28 A L S < S- 0 0 30 -4,-1.6 3,-0.3 -5,-0.2 2,-0.2 -0.815 70.5-138.1-114.0 151.3 3.0 10.5 -24.3 28 29 A A S S+ 0 0 68 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.629 79.5 27.3 -97.6 161.8 6.2 11.2 -22.4 29 30 A E S S+ 0 0 129 -2,-0.2 66,-2.3 1,-0.1 2,-0.3 0.822 94.2 105.6 60.5 37.6 7.3 14.4 -20.7 30 31 A I E -c 95 0A 10 -3,-0.3 2,-0.3 64,-0.2 66,-0.2 -0.978 44.5-175.1-147.4 132.9 3.8 15.7 -20.1 31 32 A K E -c 96 0A 92 64,-2.2 66,-2.9 -2,-0.3 2,-0.5 -0.939 24.2-119.2-131.2 152.8 1.9 15.9 -16.8 32 33 A I E -c 97 0A 29 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.779 26.0-127.0 -92.9 126.5 -1.6 16.9 -15.7 33 34 A S - 0 0 4 64,-2.6 2,-0.7 -2,-0.5 66,-0.4 -0.575 19.4-140.6 -67.9 125.1 -2.0 19.8 -13.3 34 35 A I - 0 0 44 -2,-0.4 48,-0.4 64,-0.1 17,-0.1 -0.827 24.6-142.3 -89.6 116.7 -4.1 18.7 -10.4 35 36 A S - 0 0 12 -2,-0.7 17,-2.8 15,-0.4 2,-0.4 -0.300 5.2-124.2 -78.7 158.5 -6.4 21.6 -9.5 36 37 A H E +eF 52 80B 20 44,-2.3 44,-2.3 15,-0.2 2,-0.3 -0.808 37.1 175.7 -93.0 144.5 -7.6 22.9 -6.2 37 38 A T E -eF 53 79B 0 15,-1.8 17,-2.3 -2,-0.4 42,-0.2 -0.997 40.6-153.1-150.7 149.4 -11.4 23.1 -5.8 38 39 A T + 0 0 10 40,-2.3 18,-0.2 -2,-0.3 41,-0.1 0.454 63.9 121.2 -95.3 -6.3 -14.0 24.0 -3.2 39 40 A R S S- 0 0 41 39,-0.6 15,-0.1 1,-0.1 -2,-0.1 -0.382 80.6 -96.4 -57.4 129.2 -16.4 21.7 -5.0 40 41 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.194 39.8-105.5 -55.7 137.7 -17.5 19.0 -2.5 41 42 A K - 0 0 116 -3,-0.1 3,-0.1 -4,-0.1 6,-0.0 -0.477 41.7-147.6 -63.5 125.7 -15.5 15.8 -2.7 42 43 A R > - 0 0 52 -2,-0.2 3,-2.1 1,-0.1 2,-0.1 -0.562 27.9 -83.9 -95.3 158.4 -17.8 13.2 -4.3 43 44 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.443 121.7 28.5 -56.4 129.2 -17.9 9.4 -3.6 44 45 A G T 3 S+ 0 0 69 1,-0.4 2,-0.1 -2,-0.1 -3,-0.0 -0.035 92.8 122.4 104.7 -29.5 -15.2 8.0 -5.8 45 46 A D < - 0 0 22 -3,-2.1 2,-0.4 4,-0.0 -1,-0.4 -0.367 48.3-152.5 -67.6 144.8 -13.0 11.1 -5.7 46 47 A Q >>> - 0 0 120 -3,-0.1 3,-2.3 -2,-0.1 4,-2.3 -0.980 20.2-115.1-124.1 125.8 -9.4 10.7 -4.4 47 48 A E B 345S+h 51 0C 96 -2,-0.4 5,-0.2 1,-0.3 -6,-0.0 -0.320 103.2 10.3 -55.2 129.3 -7.5 13.5 -2.8 48 49 A G T 345S+ 0 0 31 3,-2.7 -1,-0.3 -13,-0.2 4,-0.2 0.413 125.3 66.8 79.9 -2.6 -4.5 14.5 -4.9 49 50 A V T <45S+ 0 0 69 -3,-2.3 -2,-0.2 2,-0.5 3,-0.1 0.758 116.4 13.8-110.7 -55.6 -5.8 12.4 -7.8 50 51 A D T <5S- 0 0 39 -4,-2.3 -15,-0.4 1,-0.4 2,-0.3 0.888 136.0 -32.0 -85.8 -48.1 -8.9 14.1 -9.0 51 52 A Y B < -h 47 0C 52 -5,-0.8 -3,-2.7 -17,-0.1 2,-0.8 -0.956 56.7-101.4-155.6 168.6 -8.4 17.3 -7.1 52 53 A F E -e 36 0B 71 -17,-2.8 -15,-1.8 -2,-0.3 2,-0.6 -0.935 49.0-147.8 -92.5 105.9 -6.9 18.8 -4.0 53 54 A F E +e 37 0B 25 -2,-0.8 2,-0.3 -17,-0.2 -15,-0.2 -0.685 31.5 153.6 -85.4 121.5 -10.1 19.2 -2.2 54 55 A I - 0 0 21 -17,-2.3 2,-0.1 -2,-0.6 -13,-0.0 -0.832 38.6-101.6-136.2 174.0 -10.2 22.2 0.2 55 56 A D > - 0 0 72 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.458 37.4-100.7 -95.6 171.5 -12.7 24.6 1.7 56 57 A E H > S+ 0 0 123 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.858 121.0 56.5 -57.0 -40.2 -13.7 28.2 0.7 57 58 A T H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.943 111.5 42.4 -59.3 -49.6 -11.5 29.6 3.5 58 59 A R H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 116.9 47.8 -60.2 -45.9 -8.4 27.8 2.2 59 60 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.931 111.0 49.4 -65.5 -46.0 -9.3 28.7 -1.4 60 61 A Q H X S+ 0 0 83 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.903 109.1 54.7 -60.0 -41.5 -9.9 32.4 -0.7 61 62 A A H X S+ 0 0 35 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.965 107.5 49.0 -52.7 -55.8 -6.6 32.5 1.2 62 63 A X H X>S+ 0 0 48 -4,-2.3 5,-2.5 1,-0.2 4,-1.1 0.862 110.0 52.9 -54.3 -39.4 -4.8 31.1 -1.9 63 64 A V H ><5S+ 0 0 36 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.947 111.9 43.0 -62.4 -50.7 -6.5 33.7 -4.1 64 65 A K H 3<5S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.4 52.1 -64.6 -32.2 -5.5 36.7 -1.9 65 66 A E H 3<5S- 0 0 148 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.689 110.9-123.0 -77.1 -19.7 -2.0 35.2 -1.6 66 67 A G T <<5 + 0 0 39 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.712 64.2 143.0 82.7 23.1 -1.7 34.9 -5.3 67 68 A A < + 0 0 25 -5,-2.5 16,-2.5 -6,-0.2 2,-0.4 0.615 49.2 83.1 -70.9 -13.4 -1.0 31.1 -5.1 68 69 A F E -G 82 0B 19 -6,-0.5 14,-0.2 14,-0.2 3,-0.2 -0.786 58.1-162.9-100.1 136.6 -3.0 30.5 -8.3 69 70 A L E S- 0 0 15 12,-3.4 2,-0.3 -2,-0.4 -1,-0.1 0.761 91.3 -0.1 -73.1 -26.6 -1.7 30.8 -11.8 70 71 A E E S+G 81 0B 4 11,-0.8 11,-2.6 -3,-0.1 -1,-0.4 -0.972 71.1 176.9-163.4 139.6 -5.4 30.9 -12.8 71 72 A H E +G 80 0B 71 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.989 2.8 170.2-154.3 151.5 -8.7 30.7 -10.9 72 73 A A E -G 79 0B 6 7,-2.5 7,-2.2 -2,-0.3 2,-0.5 -0.972 31.5-115.7-153.5 163.5 -12.4 30.9 -11.7 73 74 A T E +G 78 0B 69 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.934 32.3 177.4-107.8 128.6 -15.9 30.4 -10.3 74 75 A I E > -G 77 0B 48 3,-2.9 3,-1.6 -2,-0.5 -2,-0.0 -0.987 68.4 -14.7-136.8 123.6 -18.0 27.6 -11.8 75 76 A Y T 3 S- 0 0 102 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.930 127.7 -55.1 46.8 50.3 -21.5 26.6 -10.7 76 77 A E T 3 S+ 0 0 172 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.642 120.3 104.3 62.4 16.9 -20.9 28.6 -7.5 77 78 A R E < - G 0 74B 97 -3,-1.6 -3,-2.9 -38,-0.0 2,-0.4 -0.852 67.2-120.2-123.4 164.0 -17.8 26.6 -6.7 78 79 A H E + G 0 73B 35 -2,-0.3 -40,-2.3 -5,-0.2 -39,-0.6 -0.857 26.6 174.9-112.0 138.6 -14.1 27.6 -6.9 79 80 A Y E +FG 37 72B 39 -7,-2.2 -7,-2.5 -2,-0.4 2,-0.3 -0.995 7.5 168.4-137.2 143.3 -11.4 26.0 -9.0 80 81 A G E -FG 36 71B 0 -44,-2.3 -44,-2.3 -2,-0.3 2,-0.7 -0.998 34.0-122.5-155.5 157.7 -7.7 27.0 -9.5 81 82 A T E - G 0 70B 0 -11,-2.6 -12,-3.4 -2,-0.3 -11,-0.8 -0.898 32.8-128.4-102.7 113.1 -4.3 26.0 -10.9 82 83 A E E > - G 0 68B 49 -2,-0.7 4,-1.0 -48,-0.4 -14,-0.2 -0.427 19.1-148.4 -61.9 126.1 -1.6 26.2 -8.3 83 84 A K H > S+ 0 0 86 -16,-2.5 4,-2.0 1,-0.2 5,-0.2 0.883 83.9 55.1 -69.9 -44.0 1.1 28.3 -9.9 84 85 A D H > S+ 0 0 81 -17,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.884 103.6 53.5 -65.6 -40.2 4.3 26.8 -8.4 85 86 A W H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 109.8 49.5 -60.4 -42.6 3.8 23.2 -9.4 86 87 A V H X S+ 0 0 0 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.940 110.7 48.6 -62.0 -48.1 3.2 24.2 -13.0 87 88 A L H X S+ 0 0 70 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.850 107.7 55.5 -64.5 -34.6 6.4 26.3 -13.2 88 89 A R H X S+ 0 0 127 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.910 108.8 48.4 -60.7 -42.1 8.4 23.5 -11.7 89 90 A Q H <>S+ 0 0 11 -4,-1.8 5,-2.8 2,-0.2 4,-0.3 0.922 111.3 48.5 -63.9 -46.9 7.3 21.2 -14.4 90 91 A L H ><5S+ 0 0 28 -4,-2.3 3,-1.4 1,-0.2 -87,-0.5 0.910 110.3 52.6 -59.5 -42.9 8.1 23.7 -17.2 91 92 A K H 3<5S+ 0 0 191 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.5 53.1 -59.4 -38.0 11.5 24.2 -15.6 92 93 A A T 3<5S- 0 0 60 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.491 123.8-106.9 -78.6 -3.8 12.1 20.5 -15.7 93 94 A G T < 5S+ 0 0 17 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.643 75.9 135.1 88.7 16.5 11.3 20.5 -19.4 94 95 A R < - 0 0 94 -5,-2.8 -1,-0.3 -6,-0.2 -64,-0.2 -0.848 52.9-129.2-101.7 131.6 7.8 18.9 -19.0 95 96 A D E - c 0 30A 10 -66,-2.3 -64,-2.2 -2,-0.5 2,-0.4 -0.373 25.4-138.5 -67.7 155.3 4.8 20.1 -20.8 96 97 A V E -ac 5 31A 0 -92,-2.2 -90,-2.9 -66,-0.2 2,-0.5 -0.978 4.5-146.7-126.2 132.5 1.7 20.7 -18.6 97 98 A L E -ac 6 32A 0 -66,-2.9 -64,-2.6 -2,-0.4 2,-0.6 -0.839 12.0-163.1 -94.6 128.2 -1.9 19.9 -19.3 98 99 A L E -a 7 0A 0 -92,-2.6 -90,-3.2 -2,-0.5 2,-1.3 -0.934 7.0-164.8-114.4 109.5 -4.5 22.2 -17.8 99 100 A E E +a 8 0A 39 -2,-0.6 2,-0.3 -66,-0.4 -90,-0.2 -0.750 41.9 138.9 -90.0 89.7 -8.0 20.9 -17.7 100 101 A I - 0 0 13 -2,-1.3 -90,-0.1 -92,-0.9 -2,-0.1 -0.864 51.2-103.1-134.9 163.7 -9.7 24.2 -17.1 101 102 A D > - 0 0 16 -2,-0.3 4,-2.2 -92,-0.1 5,-0.1 -0.105 46.1 -89.5 -82.2-176.9 -12.8 26.1 -18.2 102 103 A W H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.819 125.6 54.8 -65.9 -31.6 -13.0 29.0 -20.7 103 104 A Q H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 110.0 45.8 -65.8 -46.2 -12.5 31.6 -18.0 104 105 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 108.5 57.9 -62.9 -38.9 -9.3 30.0 -16.9 105 106 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.925 103.0 52.5 -57.4 -47.4 -8.2 29.6 -20.5 106 107 A R H X S+ 0 0 120 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.888 110.3 49.3 -55.7 -40.7 -8.5 33.4 -21.0 107 108 A Q H X S+ 0 0 66 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.927 111.4 47.5 -65.8 -46.3 -6.2 33.9 -18.0 108 109 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 7,-0.2 0.901 107.5 55.9 -63.6 -42.4 -3.6 31.5 -19.1 109 110 A R H < S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.6 44.7 -57.8 -39.6 -3.5 32.9 -22.7 110 111 A E H < S+ 0 0 172 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.928 119.1 41.6 -66.0 -46.2 -2.7 36.3 -21.2 111 112 A L H < S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.748 128.3 25.7 -78.9 -27.0 -0.1 35.0 -18.8 112 113 A F >< - 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0 0 19 -3,-1.6 -42,-0.1 -4,-0.1 3,-0.1 -0.649 69.9-140.4-105.6 153.4 -9.6 28.0 -28.9 161 162 A D S S+ 0 0 88 -44,-1.0 2,-0.3 -2,-0.2 -43,-0.2 0.823 85.5 24.5 -77.4 -34.9 -6.8 26.9 -31.3 162 163 A Y E -d 118 0A 84 -45,-1.7 -43,-2.7 2,-0.0 2,-0.4 -0.957 61.6-152.0-133.6 149.3 -8.1 23.4 -32.0 163 164 A L E -d 119 0A 87 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.991 14.8-176.6-120.7 130.4 -11.4 21.6 -31.9 164 165 A V E -d 120 0A 6 -45,-2.6 -43,-2.7 -2,-0.4 2,-0.5 -0.993 17.1-141.8-128.2 129.8 -11.5 17.8 -31.3 165 166 A V E -d 121 0A 62 -2,-0.4 2,-1.3 -45,-0.2 3,-0.5 -0.777 5.3-148.5 -92.7 127.2 -14.7 15.7 -31.4 166 167 A N + 0 0 9 -45,-3.0 3,-0.2 -2,-0.5 -1,-0.1 -0.555 59.2 119.3 -92.4 71.0 -15.0 13.0 -28.8 167 168 A D S S+ 0 0 107 -2,-1.3 2,-0.4 1,-0.3 -1,-0.2 0.664 81.8 29.2-102.7 -27.1 -17.1 10.5 -30.9 168 169 A N S > S- 0 0 60 -3,-0.5 4,-2.7 1,-0.1 -1,-0.3 -0.962 74.5-148.1-134.2 119.2 -14.5 7.8 -30.8 169 170 A F H > S+ 0 0 87 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.900 96.3 46.1 -53.4 -52.6 -12.2 7.6 -27.8 170 171 A D H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 114.9 47.6 -59.2 -42.5 -9.1 6.2 -29.6 171 172 A Q H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 111.6 50.1 -67.9 -40.2 -9.4 8.6 -32.5 172 173 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.912 111.5 48.4 -64.1 -44.3 -9.9 11.6 -30.1 173 174 A V H X S+ 0 0 15 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.946 110.4 51.9 -58.8 -48.0 -6.8 10.6 -28.1 174 175 A Q H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.853 108.4 51.7 -58.9 -35.1 -4.8 10.2 -31.3 175 176 A N H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.894 107.5 51.2 -69.3 -39.4 -5.9 13.7 -32.4 176 177 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.902 109.0 53.1 -60.2 -39.6 -4.7 15.1 -29.1 177 178 A I H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.907 106.1 52.4 -63.8 -42.0 -1.4 13.3 -29.7 178 179 A H H X S+ 0 0 108 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.920 110.0 49.6 -55.7 -45.3 -1.1 14.9 -33.1 179 180 A I H X S+ 0 0 16 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.919 115.8 39.8 -66.1 -46.0 -1.6 18.4 -31.6 180 181 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.911 115.7 52.5 -68.2 -42.9 0.9 18.0 -28.8 181 182 A S H < S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 4,-0.2 0.876 109.1 49.5 -62.1 -40.3 3.4 16.2 -31.1 182 183 A A H >< S+ 0 0 52 -4,-2.4 3,-1.5 -5,-0.2 4,-0.3 0.882 106.4 55.8 -66.7 -40.3 3.2 19.0 -33.7 183 184 A E H >< S+ 0 0 3 -4,-1.6 3,-1.6 1,-0.3 6,-0.3 0.894 103.2 56.3 -57.4 -38.9 3.8 21.7 -31.1 184 185 A R T 3< S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.527 103.8 54.5 -74.5 -6.2 7.0 19.9 -30.1 185 186 A L T < S+ 0 0 120 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.349 80.6 123.1-104.9 1.1 8.2 20.1 -33.7 186 187 A Q S <> S- 0 0 64 -3,-1.6 4,-2.9 -4,-0.3 3,-0.3 -0.314 74.0-117.1 -62.2 148.3 7.8 23.9 -33.9 187 188 A R H > S+ 0 0 187 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 114.4 54.4 -54.8 -43.1 10.9 25.9 -34.8 188 189 A D H 4 S+ 0 0 49 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.907 113.7 41.1 -60.6 -42.0 10.9 27.7 -31.4 189 190 A V H >> S+ 0 0 8 -6,-0.3 4,-2.1 -3,-0.3 3,-1.0 0.888 115.3 51.7 -69.8 -40.7 10.9 24.4 -29.6 190 191 A Q H 3X S+ 0 0 38 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.769 94.3 68.6 -72.2 -27.3 13.4 22.8 -31.9 191 192 A E H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.732 111.5 37.1 -62.8 -20.1 15.9 25.6 -31.7 192 193 A K H X4 S+ 0 0 103 -3,-1.0 3,-1.5 -4,-0.3 -2,-0.2 0.875 119.5 43.5 -92.2 -54.6 16.4 24.3 -28.1 193 194 A K H 3< S+ 0 0 135 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.813 120.2 42.6 -63.5 -32.1 16.0 20.5 -28.5 194 195 A L T 3X S+ 0 0 51 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.059 76.2 123.8-102.0 24.8 18.2 20.4 -31.6 195 196 A S H <> S+ 0 0 74 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.881 75.7 45.4 -52.9 -45.4 20.8 22.9 -30.3 196 197 A R H > S+ 0 0 157 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.920 115.8 45.2 -67.0 -46.1 23.7 20.4 -30.8 197 198 A L H > S+ 0 0 66 2,-0.2 4,-4.4 1,-0.2 -2,-0.2 0.940 111.3 51.4 -64.0 -50.1 22.7 19.3 -34.3 198 199 A L H < S+ 0 0 84 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.862 108.1 55.7 -56.5 -34.6 22.0 22.9 -35.5 199 200 A A H < S+ 0 0 81 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.961 115.2 35.5 -60.8 -53.6 25.5 23.7 -34.2 200 201 A E H < 0 0 124 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.948 360.0 360.0 -61.4 -50.7 27.1 21.0 -36.3 201 202 A L < 0 0 185 -4,-4.4 -3,-0.2 -5,-0.2 -2,-0.1 0.373 360.0 360.0 130.8 360.0 24.5 21.7 -39.0