==== 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 12-MAY-05 1ZNW . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.HIBLE,P.CHRISTOVA,L.RENAULT,E.SECLAMAN,A.THOMPSON,E.GIRARD . 182 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 20 A V 0 0 160 0, 0.0 91,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 127.5 15.7 -15.0 42.6 2 21 A G - 0 0 11 89,-2.7 2,-0.2 88,-0.2 93,-0.2 -0.449 360.0-120.2 -75.0 142.2 17.3 -11.6 42.9 3 22 A R - 0 0 143 178,-0.7 94,-2.9 91,-0.2 2,-0.5 -0.559 17.9-143.6 -76.0 146.9 15.2 -8.4 42.9 4 23 A V E -a 97 0A 7 111,-0.3 113,-3.1 -2,-0.2 2,-0.5 -0.980 17.6-171.3-114.4 122.6 15.9 -5.8 40.2 5 24 A V E -ab 98 117A 0 92,-2.6 94,-2.7 -2,-0.5 2,-0.6 -0.976 11.2-156.6-118.8 126.8 15.6 -2.2 41.4 6 25 A V E -ab 99 118A 0 111,-2.9 113,-3.1 -2,-0.5 2,-0.5 -0.946 14.0-160.2-103.7 112.3 15.7 0.7 39.0 7 26 A L E +ab 100 119A 0 92,-2.9 94,-1.9 -2,-0.6 2,-0.2 -0.838 26.2 140.4 -99.3 123.8 16.7 3.9 40.8 8 27 A S E + b 0 120A 0 111,-2.6 113,-2.8 -2,-0.5 94,-0.1 -0.781 7.8 145.1-145.5-171.8 15.9 7.3 39.3 9 28 A G - 0 0 4 111,-0.3 94,-0.3 92,-0.2 113,-0.1 -0.951 56.0 -26.2 160.1-175.8 14.8 10.8 40.4 10 29 A P S > S- 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.323 76.9 -91.2 -59.4 144.5 15.3 14.5 39.5 11 30 A S T 3 S+ 0 0 78 1,-0.2 143,-0.1 2,-0.1 -3,-0.0 -0.468 114.8 9.9 -50.1 119.2 18.6 15.5 37.9 12 31 A A T 3 S+ 0 0 71 -2,-0.2 -1,-0.2 -3,-0.1 120,-0.0 0.868 80.2 127.4 74.4 45.5 20.6 16.3 41.1 13 32 A V S < S- 0 0 3 -3,-1.1 -2,-0.1 108,-0.1 -1,-0.1 0.569 90.7 -83.5 -97.4 -13.9 18.5 15.1 44.0 14 33 A G S > S+ 0 0 27 -4,-0.3 4,-0.7 109,-0.0 3,-0.1 0.731 75.3 146.4 119.0 42.2 21.5 13.1 45.4 15 34 A K H > + 0 0 33 -5,-0.2 4,-2.1 1,-0.2 5,-0.1 0.833 62.6 57.4 -77.5 -35.7 21.6 9.7 43.7 16 35 A S H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.784 104.6 48.5 -75.1 -32.7 25.3 8.8 43.5 17 36 A T H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 112.5 52.5 -68.8 -36.6 26.2 9.0 47.2 18 37 A V H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.911 107.4 51.2 -62.0 -45.8 23.2 6.8 47.8 19 38 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.894 109.0 50.9 -58.7 -42.0 24.5 4.3 45.2 20 39 A R H X S+ 0 0 166 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.915 109.6 50.2 -64.1 -43.6 27.8 4.2 46.9 21 40 A a H X S+ 0 0 18 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.880 109.8 51.6 -59.5 -42.3 26.1 3.5 50.3 22 41 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.885 107.1 51.6 -64.8 -38.5 24.1 0.7 48.7 23 42 A R H < S+ 0 0 127 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.798 112.3 47.5 -72.6 -25.9 27.1 -1.0 47.3 24 43 A E H < S+ 0 0 157 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.798 112.5 48.3 -79.1 -31.6 28.8 -0.9 50.7 25 44 A R H < S+ 0 0 123 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.817 112.5 47.3 -81.5 -32.3 25.8 -2.3 52.6 26 45 A I S >< S- 0 0 7 -4,-2.0 3,-1.9 -5,-0.2 -1,-0.2 -0.919 74.7-159.4-113.6 101.8 25.0 -5.3 50.2 27 46 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.800 89.1 34.6 -58.4 -32.7 28.4 -7.1 49.6 28 47 A N T 3 S+ 0 0 92 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.104 79.4 144.5-110.8 23.3 27.3 -8.8 46.4 29 48 A L < - 0 0 15 -3,-1.9 2,-0.8 -6,-0.2 68,-0.2 -0.427 45.0-139.0 -59.4 127.0 24.9 -6.1 44.9 30 49 A H E -c 97 0A 59 66,-2.8 68,-2.3 -2,-0.1 2,-0.6 -0.866 11.7-157.1 -92.6 111.3 25.3 -6.2 41.1 31 50 A F E -c 98 0A 46 -2,-0.8 68,-0.2 66,-0.2 66,-0.1 -0.779 32.3-108.3 -86.3 117.7 25.3 -2.6 39.8 32 51 A S - 0 0 12 66,-2.8 2,-0.7 -2,-0.6 68,-0.2 -0.248 26.9-141.8 -50.8 131.0 24.3 -2.8 36.2 33 52 A V - 0 0 21 50,-0.1 50,-0.4 14,-0.1 17,-0.2 -0.895 20.6-136.3-102.6 107.6 27.2 -2.2 33.8 34 53 A S - 0 0 32 -2,-0.7 17,-2.5 15,-0.4 2,-0.3 -0.334 7.5-125.6 -62.9 141.2 26.0 -0.1 30.9 35 54 A A E +eF 51 81B 0 46,-2.4 46,-2.1 15,-0.2 2,-0.3 -0.634 35.1 179.7 -74.7 145.0 26.9 -0.8 27.2 36 55 A T E -eF 52 80B 0 15,-2.3 17,-2.5 -2,-0.3 44,-0.2 -0.988 34.0-150.1-145.7 154.0 28.4 2.2 25.5 37 56 A T S S+ 0 0 22 42,-2.3 43,-0.1 -2,-0.3 15,-0.1 0.386 70.2 101.0-103.7 1.5 29.8 3.0 22.1 38 57 A R S S- 0 0 37 41,-0.4 15,-0.1 1,-0.1 -2,-0.1 -0.405 83.6 -98.9 -74.4 163.7 32.3 5.6 23.3 39 58 A A - 0 0 76 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.503 44.8 -95.1 -77.5 151.7 36.0 4.6 23.6 40 59 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.407 29.7-133.8 -65.5 142.7 37.3 3.6 27.0 41 60 A R > - 0 0 155 1,-0.1 3,-2.2 -2,-0.1 0, 0.0 -0.644 43.8 -84.2 -80.2 150.6 39.2 6.2 29.2 42 61 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.356 120.7 30.3 -52.2 137.8 42.4 4.9 30.7 43 62 A G T 3 S+ 0 0 75 1,-0.4 2,-0.3 -3,-0.1 0, 0.0 0.221 91.3 118.1 89.8 -17.0 41.6 3.1 34.0 44 63 A E < - 0 0 37 -3,-2.2 2,-0.5 4,-0.0 -1,-0.4 -0.654 53.1-150.3 -84.1 142.7 38.2 1.9 32.7 45 64 A V >>> - 0 0 79 -2,-0.3 4,-2.5 -3,-0.1 3,-2.0 -0.970 18.4-116.7-119.3 126.3 37.9 -1.9 32.5 46 65 A D B 345S+h 50 0C 104 -2,-0.5 5,-0.2 1,-0.3 0, 0.0 -0.448 103.9 20.1 -60.3 125.8 35.6 -3.5 30.0 47 66 A G T 345S+ 0 0 33 3,-3.1 -1,-0.3 -2,-0.2 4,-0.2 0.265 126.7 55.1 95.1 -7.7 32.8 -5.4 31.8 48 67 A V T <45S+ 0 0 96 -3,-2.0 -2,-0.2 2,-0.5 3,-0.1 0.715 119.9 19.0-120.3 -59.3 33.3 -3.4 35.0 49 68 A D T <5S- 0 0 70 -4,-2.5 -15,-0.4 1,-0.3 2,-0.3 0.933 137.0 -23.6 -81.7 -49.2 33.0 0.3 34.1 50 69 A Y B < -h 46 0C 71 -5,-0.9 -3,-3.1 -17,-0.2 2,-0.7 -0.945 59.0-110.8-147.5 164.2 31.1 -0.2 30.8 51 70 A H E -e 35 0B 55 -17,-2.5 -15,-2.3 -2,-0.3 2,-0.8 -0.952 40.8-146.7 -94.4 111.3 30.7 -2.9 28.2 52 71 A F E +e 36 0B 34 -2,-0.7 2,-0.3 -17,-0.2 -15,-0.2 -0.706 29.9 163.1 -84.6 107.8 32.5 -1.2 25.3 53 72 A I - 0 0 43 -17,-2.5 -2,-0.0 -2,-0.8 0, 0.0 -0.817 37.3-107.6-122.1 163.5 30.9 -2.1 22.0 54 73 A D > - 0 0 94 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.546 34.2-108.4 -88.9 158.2 31.1 -0.6 18.5 55 74 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.813 117.2 52.5 -54.3 -37.6 28.2 1.4 17.0 56 75 A T H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.943 111.9 44.7 -65.3 -48.7 27.3 -1.4 14.5 57 76 A R H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 111.1 54.9 -61.9 -37.7 27.1 -4.1 17.2 58 77 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.904 107.7 49.6 -63.4 -41.6 25.1 -1.6 19.4 59 78 A Q H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 107.7 53.8 -62.9 -42.0 22.6 -1.2 16.5 60 79 A Q H X S+ 0 0 89 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.945 108.6 50.2 -54.4 -47.3 22.3 -5.0 16.3 61 80 A L H <>S+ 0 0 12 -4,-2.3 5,-2.6 1,-0.2 6,-0.4 0.909 108.8 50.8 -61.7 -43.0 21.5 -5.1 20.0 62 81 A I H ><5S+ 0 0 33 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.956 112.5 47.3 -52.4 -52.5 18.8 -2.4 19.6 63 82 A D H 3<5S+ 0 0 120 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.771 110.6 50.8 -66.7 -30.1 17.2 -4.3 16.7 64 83 A Q T 3<5S- 0 0 115 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.383 113.0-116.1 -87.7 4.8 17.3 -7.7 18.6 65 84 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.841 72.8 135.5 62.8 37.5 15.6 -6.2 21.7 66 85 A E < + 0 0 54 -5,-2.6 18,-2.7 -6,-0.2 2,-0.5 0.404 48.5 78.9 -97.1 1.8 18.6 -6.8 23.9 67 86 A L E -G 83 0B 13 -6,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.935 60.1-159.1-110.0 132.7 18.6 -3.4 25.6 68 87 A L E S- 0 0 5 14,-2.8 44,-0.4 -2,-0.5 2,-0.3 0.853 85.4 -14.2 -71.9 -35.0 16.2 -2.6 28.4 69 88 A E E -G 82 0B 17 13,-0.8 13,-2.2 -3,-0.1 -1,-0.3 -0.958 67.1-180.0-159.1 155.0 16.8 1.1 27.6 70 89 A W E -G 81 0B 94 -2,-0.3 2,-0.3 11,-0.3 11,-0.3 -0.971 3.9-169.7-153.0 161.0 19.3 3.2 25.5 71 90 A A E -G 80 0B 35 9,-2.4 9,-1.9 -2,-0.3 2,-0.3 -0.983 29.9-107.6-147.3 156.2 19.9 6.8 24.7 72 91 A E E -G 79 0B 97 -2,-0.3 2,-0.4 7,-0.2 3,-0.3 -0.682 39.3-144.3 -78.1 140.0 21.9 9.1 22.4 73 92 A I E >>>S+G 78 0B 48 5,-3.1 4,-1.4 -2,-0.3 5,-1.2 -0.882 71.4 1.6-114.5 140.7 24.6 10.8 24.4 74 93 A H G >45S- 0 0 155 -2,-0.4 3,-0.7 1,-0.3 -1,-0.2 0.910 137.1 -49.7 46.7 51.8 25.8 14.4 23.7 75 94 A G G 345S- 0 0 88 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.737 116.7 -40.4 65.5 25.5 23.3 14.8 20.9 76 95 A G G <45S+ 0 0 35 -3,-0.9 -1,-0.2 2,-0.3 -2,-0.2 0.537 94.4 131.7 101.1 7.2 24.3 11.5 19.3 77 96 A L T <<5S- 0 0 134 -4,-1.4 2,-0.3 -3,-0.7 -3,-0.2 0.921 89.9 -26.9 -48.3 -46.3 28.1 11.5 19.6 78 97 A H E - G 0 67B 28 -2,-0.5 4,-0.8 -50,-0.4 -16,-0.2 -0.621 5.8-151.3 -77.3 132.2 21.8 -4.7 28.5 84 103 A A H > S+ 0 0 7 -18,-2.7 4,-2.5 -2,-0.3 5,-0.2 0.907 85.3 61.6 -67.3 -46.6 19.0 -7.1 29.4 85 104 A Q H > S+ 0 0 129 -19,-0.4 4,-2.9 1,-0.2 5,-0.2 0.882 102.8 45.8 -62.3 -45.4 20.9 -10.4 29.5 86 105 A P H > S+ 0 0 44 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.879 114.1 50.8 -64.1 -34.4 23.3 -9.6 32.4 87 106 A V H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.961 114.3 43.4 -63.0 -49.6 20.5 -8.2 34.5 88 107 A R H X S+ 0 0 104 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.906 115.1 48.6 -63.7 -41.8 18.4 -11.3 33.9 89 108 A A H X S+ 0 0 53 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.923 111.5 49.4 -67.1 -47.0 21.3 -13.7 34.5 90 109 A A H >X>S+ 0 0 15 -4,-2.7 5,-2.0 1,-0.2 3,-0.7 0.955 112.7 48.4 -52.5 -55.4 22.3 -11.9 37.7 91 110 A A H ><5S+ 0 0 9 -4,-2.6 -89,-2.7 1,-0.2 3,-1.1 0.885 109.2 52.0 -53.5 -41.3 18.7 -12.1 39.0 92 111 A A H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.743 105.6 56.8 -68.8 -22.1 18.4 -15.8 38.0 93 112 A T H <<5S- 0 0 113 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.611 121.3-109.5 -82.1 -10.7 21.5 -16.4 40.0 94 113 A G T <<5S+ 0 0 40 -3,-1.1 -3,-0.2 -4,-0.6 -91,-0.2 0.508 75.5 134.2 93.6 6.1 19.9 -14.9 43.2 95 114 A V < - 0 0 29 -5,-2.0 -1,-0.3 -6,-0.2 -93,-0.2 -0.742 57.8-119.8 -90.4 133.3 22.1 -11.8 43.1 96 115 A P - 0 0 8 0, 0.0 -66,-2.8 0, 0.0 2,-0.4 -0.467 27.1-149.2 -70.2 145.4 20.2 -8.4 43.6 97 116 A V E -ac 4 30A 0 -94,-2.9 -92,-2.6 -68,-0.2 2,-0.5 -0.960 11.7-167.7-120.4 133.8 20.5 -5.9 40.8 98 117 A L E -ac 5 31A 0 -68,-2.3 -66,-2.8 -2,-0.4 2,-0.5 -0.977 3.6-172.3-115.3 128.9 20.5 -2.1 40.9 99 118 A I E -a 6 0A 2 -94,-2.7 -92,-2.9 -2,-0.5 2,-0.6 -0.986 7.0-160.5-117.5 126.1 20.2 -0.0 37.8 100 119 A E E +a 7 0A 65 -2,-0.5 2,-0.3 -68,-0.2 -92,-0.2 -0.943 28.0 148.5-108.6 121.6 20.6 3.7 38.1 101 120 A V - 0 0 14 -94,-1.9 -92,-0.2 -2,-0.6 -2,-0.0 -0.955 47.2 -97.2-144.4 160.9 19.1 5.7 35.2 102 121 A D > - 0 0 100 -2,-0.3 4,-2.2 -94,-0.1 5,-0.1 -0.165 54.4 -91.0 -67.5 173.7 17.5 9.1 34.3 103 122 A L H > S+ 0 0 11 -94,-0.3 4,-2.4 1,-0.2 5,-0.2 0.854 126.8 53.0 -64.4 -38.6 13.7 9.2 34.2 104 123 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 110.4 49.4 -61.5 -40.7 13.4 8.4 30.5 105 124 A G H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.891 110.5 49.7 -63.1 -42.3 15.6 5.3 31.1 106 125 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 110.0 50.5 -65.1 -46.6 13.4 4.2 34.0 107 126 A R H X S+ 0 0 112 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.911 111.8 49.2 -52.6 -45.8 10.2 4.7 31.9 108 127 A A H >X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.911 108.2 52.8 -62.0 -43.9 11.8 2.5 29.2 109 128 A I H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 7,-0.2 0.843 101.1 60.4 -64.6 -32.8 12.9 -0.3 31.6 110 129 A K H 3< S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.0 44.7 -64.1 -30.6 9.3 -0.6 33.0 111 130 A K H << S+ 0 0 184 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.928 120.0 38.3 -73.7 -46.0 8.1 -1.5 29.4 112 131 A T H < S+ 0 0 60 -4,-2.0 -2,-0.2 -44,-0.4 -3,-0.2 0.724 134.8 20.5 -81.7 -23.7 11.0 -3.9 28.6 113 132 A M >< + 0 0 4 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.3 -0.593 64.6 174.2-143.4 79.9 11.1 -5.5 32.1 114 133 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.744 76.5 65.9 -63.1 -21.9 7.9 -4.9 34.1 115 134 A E T 3 S+ 0 0 118 2,-0.1 -111,-0.3 -112,-0.0 2,-0.2 0.558 79.2 101.9 -76.0 -9.0 9.0 -7.1 37.0 116 135 A A S < S- 0 0 0 -3,-1.9 2,-0.6 -7,-0.2 -111,-0.2 -0.547 77.7-126.6 -66.9 140.9 11.8 -4.5 37.8 117 136 A V E -b 5 0A 18 -113,-3.1 -111,-2.9 -2,-0.2 2,-0.4 -0.838 21.2-150.6 -93.8 117.9 10.9 -2.3 40.8 118 137 A T E -b 6 0A 3 -2,-0.6 45,-2.5 -113,-0.2 2,-0.4 -0.748 13.4-170.4 -93.1 133.5 11.2 1.4 39.8 119 138 A V E -bd 7 163A 0 -113,-3.1 -111,-2.6 -2,-0.4 2,-0.6 -0.982 12.5-154.4-129.0 130.7 12.0 3.8 42.6 120 139 A F E -bd 8 164A 0 43,-2.3 45,-2.4 -2,-0.4 2,-0.9 -0.926 13.1-145.0-104.4 120.5 12.0 7.6 42.5 121 140 A L E - d 0 165A 0 -113,-2.8 45,-0.2 -2,-0.6 -106,-0.1 -0.774 26.0-167.1 -86.5 106.6 14.3 9.3 45.0 122 141 A A E - d 0 166A 4 43,-2.8 45,-3.7 -2,-0.9 33,-0.0 -0.622 21.1-113.2 -98.6 153.2 12.4 12.4 46.0 123 142 A P - 0 0 14 0, 0.0 45,-0.2 0, 0.0 3,-0.1 -0.451 28.9-115.8 -75.0 159.7 13.7 15.4 47.9 124 143 A P S S- 0 0 48 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.736 92.4 -10.2 -71.2 -16.8 12.3 16.0 51.4 125 144 A S > - 0 0 58 1,-0.1 4,-1.7 43,-0.0 5,-0.2 -0.974 68.1-105.5-165.1 162.5 10.8 19.2 50.2 126 145 A W H > S+ 0 0 64 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.918 119.1 53.4 -55.2 -48.8 10.8 21.7 47.3 127 146 A Q H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 105.4 54.6 -61.7 -34.5 12.9 24.2 49.3 128 147 A D H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 114.0 40.4 -61.6 -48.8 15.6 21.5 50.0 129 148 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.933 114.5 52.3 -67.8 -45.6 15.9 20.8 46.3 130 149 A Q H X S+ 0 0 58 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.886 106.3 54.7 -55.3 -43.3 15.7 24.5 45.3 131 150 A A H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.908 109.5 46.8 -58.4 -43.0 18.5 25.3 47.8 132 151 A R H < S+ 0 0 97 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.855 111.2 51.5 -67.0 -35.8 20.8 22.7 46.1 133 152 A L H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 112.4 45.1 -70.8 -37.7 20.0 24.0 42.6 134 153 A I H >< S+ 0 0 70 -4,-2.3 3,-2.0 -5,-0.2 5,-0.4 0.927 90.1 155.9 -64.3 -47.4 20.8 27.6 43.5 135 154 A G T 3< S- 0 0 48 -4,-2.4 -1,-0.1 1,-0.3 -2,-0.1 -0.286 71.8 -16.4 62.1-137.6 23.9 26.2 45.3 136 155 A R T 3 S- 0 0 245 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.356 95.1-113.8 -79.3 4.7 26.7 28.7 45.7 137 156 A G S < S+ 0 0 45 -3,-2.0 -2,-0.1 -4,-0.1 -3,-0.1 0.833 73.3 137.6 66.6 36.4 25.0 30.9 43.0 138 157 A T + 0 0 120 -4,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.591 52.0 78.3 -85.3 -16.3 27.7 30.5 40.4 139 158 A E S S- 0 0 77 -5,-0.4 2,-0.0 1,-0.1 0, 0.0 -0.541 89.2 -98.9 -93.8 158.0 25.2 30.0 37.5 140 159 A T > - 0 0 85 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.323 31.8-110.8 -71.5 160.2 23.2 32.7 35.7 141 160 A A H > S+ 0 0 78 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 120.1 53.6 -56.3 -41.4 19.5 33.5 36.6 142 161 A D H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 110.3 46.8 -61.7 -43.7 18.4 32.0 33.2 143 162 A V H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 114.9 45.6 -63.4 -47.0 20.3 28.7 34.0 144 163 A I H X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.922 110.6 53.5 -63.7 -44.1 18.9 28.5 37.5 145 164 A Q H X S+ 0 0 93 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.929 109.1 49.3 -57.0 -45.9 15.4 29.3 36.3 146 165 A R H X S+ 0 0 188 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.893 109.7 52.4 -58.5 -41.2 15.6 26.5 33.7 147 166 A R H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 110.7 46.9 -62.6 -39.9 16.9 24.1 36.5 148 167 A L H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 112.5 49.4 -68.6 -45.5 13.9 25.0 38.7 149 168 A D H X S+ 0 0 81 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.929 112.1 48.9 -54.9 -47.6 11.5 24.5 35.8 150 169 A T H X S+ 0 0 51 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 109.5 52.5 -59.4 -44.6 13.0 21.1 35.0 151 170 A A H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.899 107.1 50.9 -61.1 -44.8 12.8 20.0 38.6 152 171 A R H X S+ 0 0 123 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.895 112.1 48.1 -60.9 -41.0 9.1 20.8 38.9 153 172 A I H X S+ 0 0 125 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.934 112.8 47.6 -62.8 -47.4 8.4 18.8 35.7 154 173 A E H >< S+ 0 0 33 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.886 108.2 55.0 -64.1 -37.8 10.5 15.8 36.9 155 174 A L H >< S+ 0 0 28 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.830 97.8 64.4 -65.5 -31.0 8.8 15.9 40.4 156 175 A A H >< S+ 0 0 87 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.747 96.4 61.2 -58.9 -23.0 5.4 15.7 38.6 157 176 A A G X< S+ 0 0 6 -3,-1.3 3,-2.2 -4,-0.6 4,-0.3 0.452 70.0 97.6 -84.8 -6.6 6.5 12.2 37.4 158 177 A Q G X S+ 0 0 63 -3,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.793 74.9 64.7 -64.1 -24.0 7.0 10.5 40.7 159 178 A G G < S+ 0 0 71 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.667 89.1 68.0 -65.6 -18.8 3.5 8.9 40.4 160 179 A D G < S+ 0 0 113 -3,-2.2 -1,-0.2 -4,-0.0 2,-0.2 0.665 89.5 85.5 -72.9 -14.3 4.7 6.8 37.4 161 180 A F S < S- 0 0 20 -3,-1.2 -42,-0.1 -4,-0.3 3,-0.1 -0.504 79.2-129.9 -95.4 154.5 7.0 4.8 39.7 162 181 A D S S+ 0 0 71 -44,-0.3 2,-0.3 -2,-0.2 -43,-0.2 0.902 92.0 17.2 -65.2 -41.4 6.4 1.7 41.8 163 182 A K E -d 119 0A 96 -45,-2.5 -43,-2.3 2,-0.0 2,-0.5 -0.946 61.5-150.6-135.1 150.1 8.0 3.2 44.9 164 183 A V E -d 120 0A 59 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.992 10.5-168.5-119.0 123.9 9.0 6.7 46.2 165 184 A V E -d 121 0A 2 -45,-2.4 -43,-2.8 -2,-0.5 2,-0.6 -0.961 16.2-142.9-108.0 125.6 11.9 7.0 48.6 166 185 A V E -d 122 0A 33 -2,-0.5 2,-2.2 -45,-0.2 3,-0.4 -0.786 9.3-139.0 -91.0 124.1 12.2 10.4 50.2 167 186 A N + 0 0 27 -45,-3.7 3,-0.2 -2,-0.6 -1,-0.1 -0.431 53.0 139.2 -82.0 67.1 15.8 11.4 50.6 168 187 A R S S+ 0 0 171 -2,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.838 77.8 2.0 -76.7 -30.0 15.3 12.9 54.1 169 188 A R S > S- 0 0 150 -3,-0.4 4,-2.5 1,-0.1 -1,-0.3 -0.973 70.2-126.5-162.3 130.6 18.5 11.5 55.5 170 189 A L H > S+ 0 0 66 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.912 107.4 52.2 -53.7 -48.3 21.2 9.4 53.7 171 190 A E H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 115.7 39.7 -62.2 -37.0 21.2 6.6 56.2 172 191 A S H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 113.5 52.8 -85.3 -29.5 17.4 6.0 56.1 173 192 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.950 114.4 44.5 -58.7 -50.6 17.1 6.6 52.3 174 193 A a H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.923 111.4 54.0 -60.5 -46.2 19.8 3.9 51.9 175 194 A A H X S+ 0 0 45 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.910 107.9 49.2 -55.1 -48.1 18.1 1.7 54.5 176 195 A E H X S+ 0 0 80 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 111.6 49.4 -57.9 -42.7 14.7 1.8 52.6 177 196 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.877 108.4 53.0 -66.8 -38.9 16.5 0.9 49.3 178 197 A V H X S+ 0 0 30 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.908 107.1 52.5 -59.0 -43.9 18.3 -2.0 51.1 179 198 A S H < S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 111.0 47.5 -60.5 -42.1 14.9 -3.3 52.2 180 199 A L H < S+ 0 0 37 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.892 115.0 45.9 -62.2 -41.9 13.7 -3.2 48.6 181 200 A L H < 0 0 4 -4,-2.2 -178,-0.7 1,-0.1 -2,-0.2 0.841 360.0 360.0 -76.1 -39.3 16.8 -5.0 47.2 182 201 A V < 0 0 112 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.527 360.0 360.0-116.9 360.0 17.1 -7.8 49.7