==== 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 TOPOISOMERASE 03-FEB-97 1AB4 . COMPND 2 MOLECULE: GYRASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.H.M.CABRAL,A.MAXWELL,R.C.LIDDINGTON . 477 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 11.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 37.7 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+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 2 1 0 0 1 1 4 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 4 4 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 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 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 30 A V > 0 0 156 0, 0.0 4,-0.6 0, 0.0 145,-0.0 0.000 360.0 360.0 360.0 -45.7 43.5 77.8 29.9 2 31 A G T 4 + 0 0 30 2,-0.2 296,-0.1 1,-0.1 300,-0.0 0.690 360.0 63.1 -97.5 -25.7 45.7 78.0 33.0 3 32 A R T 4 S+ 0 0 146 1,-0.2 12,-0.1 10,-0.1 -1,-0.1 0.830 104.0 50.6 -66.7 -33.5 48.6 76.1 31.5 4 33 A A T 4 S+ 0 0 20 9,-0.1 -1,-0.2 143,-0.1 -2,-0.2 0.895 107.7 55.4 -72.2 -43.7 49.0 78.8 28.8 5 34 A L S < S- 0 0 3 -4,-0.6 2,-0.2 145,-0.1 292,-0.1 -0.717 76.0-130.8-101.5 144.8 49.1 81.8 31.1 6 35 A P - 0 0 0 0, 0.0 292,-4.0 0, 0.0 2,-0.6 -0.489 29.3-108.5 -84.3 159.3 51.3 82.6 34.1 7 36 A D B > -a 298 0A 17 5,-1.6 4,-4.1 290,-0.2 3,-0.4 -0.813 19.1-140.7 -92.0 117.9 49.9 83.8 37.4 8 37 A V T 4 S+ 0 0 5 290,-1.3 129,-0.4 -2,-0.6 130,-0.2 0.807 98.7 60.5 -43.8 -39.5 50.7 87.5 38.0 9 38 A R T 4 S+ 0 0 43 289,-0.4 128,-0.2 1,-0.2 127,-0.2 0.962 128.9 4.4 -58.0 -56.4 51.3 86.8 41.7 10 39 A D T 4 S- 0 0 0 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.549 88.4-130.6-109.3 -11.1 54.2 84.4 41.2 11 40 A G < + 0 0 6 -4,-4.1 2,-0.2 1,-0.2 -3,-0.1 0.649 66.6 115.1 70.5 19.5 54.8 84.4 37.4 12 41 A L - 0 0 4 -5,-0.4 -5,-1.6 -7,-0.1 -1,-0.2 -0.706 57.3-133.5-116.5 168.5 54.8 80.6 37.1 13 42 A K > - 0 0 36 -2,-0.2 4,-2.4 -7,-0.2 5,-0.3 -0.640 44.5 -89.6-111.4 168.7 52.7 78.0 35.3 14 43 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.894 127.2 52.4 -46.3 -44.4 51.5 74.7 36.9 15 44 A V H > S+ 0 0 29 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.951 109.6 45.9 -56.7 -59.1 54.7 73.0 35.7 16 45 A H H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.909 114.3 49.0 -51.8 -48.9 57.1 75.5 37.2 17 46 A R H X S+ 0 0 24 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.946 113.4 47.3 -57.7 -48.9 55.2 75.5 40.5 18 47 A R H X S+ 0 0 56 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.914 112.4 49.2 -59.3 -47.6 55.2 71.7 40.6 19 48 A V H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.952 117.8 39.2 -58.6 -53.4 58.9 71.5 39.7 20 49 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.889 114.0 54.1 -65.8 -41.3 60.0 74.0 42.4 21 50 A Y H X S+ 0 0 33 -4,-3.4 4,-2.1 -5,-0.3 5,-0.2 0.937 108.7 49.8 -58.1 -47.0 57.5 72.7 45.0 22 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.908 108.3 52.4 -58.5 -43.8 58.9 69.2 44.6 23 52 A M H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 -1,-0.2 0.897 109.0 51.5 -59.6 -37.2 62.4 70.5 45.0 24 53 A N H ><5S+ 0 0 51 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.880 109.6 48.1 -65.8 -42.7 61.2 72.2 48.2 25 54 A V H 3<5S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.800 108.1 57.1 -68.9 -29.1 59.7 68.9 49.5 26 55 A L T 3<5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.480 108.8-124.1 -80.4 -2.8 63.0 67.1 48.6 27 56 A G T < 5 + 0 0 26 -3,-1.0 2,-2.5 -4,-0.2 -3,-0.2 0.791 53.9 161.4 61.6 24.4 65.0 69.5 50.8 28 57 A N < + 0 0 0 -5,-2.4 70,-2.7 -6,-0.2 -1,-0.2 -0.405 21.3 168.2 -76.5 63.0 66.9 70.2 47.6 29 58 A D - 0 0 30 -2,-2.5 3,-0.3 68,-0.2 71,-0.1 -0.233 51.2-118.3 -82.2 166.8 68.3 73.4 49.0 30 59 A W S S+ 0 0 114 1,-0.2 70,-0.1 69,-0.2 -1,-0.1 0.758 116.5 49.6 -72.4 -28.3 71.0 75.8 47.9 31 60 A N S S+ 0 0 97 2,-0.1 -1,-0.2 69,-0.1 2,-0.2 0.564 105.0 69.9 -87.8 -11.1 73.0 75.1 51.1 32 61 A K S S- 0 0 102 -3,-0.3 -4,-0.0 1,-0.2 -5,-0.0 -0.493 99.5 -77.2 -97.1 172.6 72.7 71.3 50.8 33 62 A A - 0 0 77 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.240 53.4 -94.4 -69.7 159.1 74.4 69.1 48.2 34 63 A Y - 0 0 49 63,-0.1 2,-0.3 61,-0.1 63,-0.2 -0.231 36.6-147.6 -67.6 161.0 73.3 68.9 44.5 35 64 A K E -C 96 0B 66 61,-2.2 61,-2.8 -7,-0.1 2,-0.2 -0.909 26.2 -94.9-130.0 155.5 70.9 66.1 43.4 36 65 A K E >> -C 95 0B 93 -2,-0.3 4,-1.0 59,-0.2 3,-0.8 -0.510 30.7-127.5 -69.8 140.3 70.6 64.3 40.1 37 66 A S H 3> S+ 0 0 0 57,-2.5 4,-3.1 54,-0.7 3,-0.3 0.865 109.9 65.2 -56.0 -34.1 68.0 65.9 37.9 38 67 A A H 3> S+ 0 0 33 53,-1.9 4,-2.6 56,-0.3 5,-0.3 0.898 95.4 57.5 -54.6 -43.5 66.5 62.4 37.6 39 68 A R H <> S+ 0 0 128 -3,-0.8 4,-0.9 52,-0.2 -1,-0.2 0.906 113.8 37.3 -55.0 -46.0 65.7 62.5 41.3 40 69 A V H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.915 115.6 52.0 -74.3 -45.7 63.6 65.6 40.9 41 70 A V H >X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 3,-1.0 0.982 111.2 47.1 -55.4 -58.3 62.1 64.8 37.6 42 71 A G H 3X S+ 0 0 46 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.758 110.2 53.6 -55.1 -30.0 60.9 61.4 38.7 43 72 A D H 3X S+ 0 0 22 -4,-0.9 4,-0.9 -5,-0.3 -1,-0.3 0.849 113.2 43.8 -72.9 -35.6 59.5 62.9 41.9 44 73 A V H S+ 0 0 0 -4,-2.1 5,-2.6 -3,-1.0 4,-2.3 0.895 111.3 52.1 -75.3 -44.2 57.5 65.4 39.8 45 74 A I H <5S+ 0 0 46 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.888 116.4 41.4 -60.6 -38.2 56.3 62.8 37.2 46 75 A G H <5S+ 0 0 36 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.657 129.5 22.2 -86.6 -15.4 55.0 60.6 40.0 47 76 A K H <5S+ 0 0 41 -4,-0.9 74,-0.2 -3,-0.2 -3,-0.2 0.667 134.5 4.4-123.1 -25.0 53.4 63.2 42.3 48 77 A Y T <5S+ 0 0 4 -4,-2.3 72,-0.3 -5,-0.2 -3,-0.2 0.702 125.9 28.3-129.1 -53.2 52.6 66.3 40.4 49 78 A H < + 0 0 10 -5,-2.6 2,-2.0 70,-0.1 7,-0.2 -0.719 56.6 177.9-123.0 79.1 53.2 66.4 36.7 50 79 A P + 0 0 46 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.275 45.3 113.5 -77.5 54.5 52.8 62.8 35.3 51 80 A H S S- 0 0 88 -2,-2.0 4,-0.3 1,-0.3 5,-0.2 -0.498 86.2 -58.9-127.4 64.6 53.3 63.9 31.7 52 81 A G > - 0 0 38 -2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.695 43.8-113.7 69.0 127.8 56.6 62.4 30.4 53 82 A D H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.780 110.2 64.3 -59.9 -33.7 60.1 63.0 31.9 54 83 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 103.1 46.5 -57.5 -53.6 61.3 64.9 28.8 55 84 A A H > S+ 0 0 42 -4,-0.3 4,-1.3 -3,-0.2 -2,-0.2 0.944 114.8 46.1 -54.4 -55.5 58.8 67.7 29.2 56 85 A V H >X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.6 0.915 111.5 51.8 -56.2 -47.5 59.5 68.1 33.0 57 86 A Y H 3X S+ 0 0 21 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.880 105.1 55.8 -58.5 -40.5 63.3 68.0 32.5 58 87 A D H 3X S+ 0 0 109 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.823 107.6 51.0 -60.6 -32.7 63.1 70.7 29.8 59 88 A T H X S+ 0 0 9 -4,-2.7 3,-2.1 -5,-0.2 4,-1.4 0.959 106.5 50.4 -64.2 -52.5 66.7 72.9 32.3 62 91 A R H 3< S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.7 54.9 -58.1 -32.2 65.3 76.3 31.2 63 92 A M T 3< S+ 0 0 8 -4,-1.9 11,-2.4 1,-0.2 10,-1.1 0.550 109.3 49.6 -78.3 -5.9 65.2 77.5 34.8 64 93 A A T <4 S+ 0 0 12 -3,-2.1 12,-0.3 -4,-0.3 -2,-0.2 0.704 85.8 98.2-101.2 -28.3 68.9 76.7 35.1 65 94 A Q >X - 0 0 27 -4,-1.4 4,-2.1 1,-0.1 3,-1.6 -0.524 62.4-150.5 -70.1 120.4 70.2 78.4 31.9 66 95 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.629 99.1 53.6 -63.7 -17.5 71.7 82.0 32.6 67 96 A F T 34 S+ 0 0 41 1,-0.1 166,-0.3 123,-0.1 123,-0.2 0.490 110.5 45.4 -95.0 -9.8 70.6 83.0 29.1 68 97 A S T <4 S+ 0 0 9 -3,-1.6 2,-0.4 1,-0.2 -1,-0.1 0.749 114.4 45.9-100.5 -37.5 67.0 81.9 29.6 69 98 A L < - 0 0 13 -4,-2.1 3,-0.4 1,-0.1 -1,-0.2 -0.929 59.7-152.9-117.2 136.1 66.4 83.5 33.0 70 99 A R S S+ 0 0 1 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.804 104.8 17.8 -68.3 -30.8 67.3 86.9 34.3 71 100 A Y S S- 0 0 15 65,-0.1 -1,-0.3 -3,-0.1 28,-0.1 -0.845 97.9-130.5-143.5 94.7 67.5 85.4 37.8 72 101 A M - 0 0 49 -3,-0.4 29,-0.3 -2,-0.3 30,-0.2 -0.201 14.4-162.4 -53.3 136.5 67.8 81.6 37.6 73 102 A L S S+ 0 0 5 -10,-1.1 26,-2.2 1,-0.2 2,-0.4 0.679 76.8 52.7 -92.1 -22.9 65.4 79.6 39.7 74 103 A V E S-D 98 0B 1 -11,-2.4 2,-1.1 24,-0.2 24,-0.2 -0.965 72.0-144.2-121.2 128.4 67.4 76.3 39.4 75 104 A D E -D 97 0B 51 22,-3.2 22,-0.7 -2,-0.4 2,-0.4 -0.783 31.0-171.2 -89.0 97.7 71.1 76.0 40.3 76 105 A G E -D 96 0B 26 -2,-1.1 2,-0.5 -12,-0.3 20,-0.3 -0.769 16.1-160.2 -98.8 140.7 72.3 73.5 37.7 77 106 A Q E +D 95 0B 90 18,-4.0 18,-1.7 -2,-0.4 2,-0.3 -0.892 59.1 19.8-121.6 100.6 75.7 71.8 37.6 78 107 A G S S- 0 0 58 -2,-0.5 2,-1.3 16,-0.2 16,-0.1 -0.947 109.4 -16.6 143.4-163.5 76.6 70.3 34.2 79 108 A N + 0 0 89 -2,-0.3 10,-3.9 1,-0.2 15,-0.1 -0.637 58.0 159.5 -79.9 94.2 75.8 70.6 30.5 80 109 A F - 0 0 15 -2,-1.3 8,-0.3 1,-0.4 -1,-0.2 0.057 59.3 -95.0-101.2 22.5 72.4 72.4 30.6 81 110 A G - 0 0 16 6,-0.4 -1,-0.4 3,-0.0 2,-0.3 -0.241 39.3-114.9 92.9 177.3 72.8 73.5 27.1 82 111 A S > - 0 0 26 4,-1.0 3,-1.5 -3,-0.1 4,-0.3 -0.941 33.3 -89.4-149.5 172.2 74.0 76.7 25.4 83 112 A I T 3 S+ 0 0 54 -2,-0.3 153,-1.5 1,-0.3 154,-0.5 0.479 116.8 68.0 -64.5 -2.5 73.1 79.7 23.3 84 113 A D T 3 S- 0 0 49 151,-0.2 -1,-0.3 152,-0.2 3,-0.1 0.102 124.3 -94.3-105.6 20.6 73.8 77.6 20.1 85 114 A G < + 0 0 45 -3,-1.5 -2,-0.2 1,-0.3 2,-0.1 0.497 67.8 162.9 81.9 3.3 70.9 75.1 20.6 86 115 A D - 0 0 88 -4,-0.3 -4,-1.0 1,-0.1 -1,-0.3 -0.385 35.9-131.5 -57.4 121.4 73.1 72.6 22.5 87 116 A S - 0 0 103 -6,-0.2 -6,-0.4 -2,-0.1 -1,-0.1 -0.505 26.3-101.2 -76.8 148.9 70.7 70.3 24.3 88 117 A A - 0 0 30 -8,-0.3 -8,-0.3 -2,-0.2 -1,-0.1 -0.144 40.3 -95.1 -65.1 164.4 71.3 69.6 28.0 89 118 A A - 0 0 27 -10,-3.9 -1,-0.1 1,-0.2 -11,-0.0 -0.177 57.7 -71.8 -72.3 171.4 72.9 66.4 29.2 90 119 A A >> - 0 0 39 1,-0.1 4,-2.0 2,-0.1 3,-1.9 -0.286 42.5-114.6 -64.9 153.2 70.8 63.5 30.4 91 120 A M T 34 S+ 0 0 55 1,-0.3 -53,-1.9 2,-0.2 -54,-0.7 0.770 113.8 64.0 -60.8 -25.9 68.9 63.9 33.7 92 121 A R T 34 S+ 0 0 157 -55,-0.2 -1,-0.3 1,-0.2 -56,-0.1 0.428 111.3 36.5 -80.1 3.4 71.0 61.1 35.3 93 122 A Y T <4 S+ 0 0 141 -3,-1.9 -2,-0.2 -14,-0.1 -1,-0.2 0.701 96.8 82.8-119.5 -45.4 74.1 63.3 34.9 94 123 A T < - 0 0 1 -4,-2.0 -57,-2.5 -15,-0.1 2,-0.4 -0.345 64.6-150.0 -66.9 142.9 73.1 66.9 35.5 95 124 A E E +CD 36 77B 54 -18,-1.7 -18,-4.0 -59,-0.2 2,-0.3 -0.916 19.5 174.3-116.0 141.4 72.9 68.0 39.1 96 125 A I E +CD 35 76B 0 -61,-2.8 -61,-2.2 -2,-0.4 2,-0.3 -0.908 13.9 175.4-140.7 170.5 70.6 70.7 40.4 97 126 A R E - D 0 75B 50 -22,-0.7 -22,-3.2 -2,-0.3 -68,-0.2 -0.930 48.7 -74.6-171.4 149.2 69.3 72.4 43.6 98 127 A L E - D 0 74B 0 -70,-2.7 -24,-0.2 -2,-0.3 -25,-0.1 -0.285 53.8-119.2 -51.6 129.1 67.0 75.3 44.4 99 128 A A >> - 0 0 13 -26,-2.2 3,-1.2 1,-0.1 4,-1.1 -0.360 27.7-104.8 -68.0 155.9 68.7 78.6 43.6 100 129 A K T >4 S+ 0 0 79 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.910 124.1 46.9 -46.4 -46.6 69.1 81.0 46.5 101 130 A I T >> S+ 0 0 10 -29,-0.3 4,-0.7 1,-0.2 3,-0.6 0.696 97.8 69.8 -71.7 -22.3 66.3 83.1 45.2 102 131 A A H X> S+ 0 0 0 -3,-1.2 4,-1.1 1,-0.3 3,-0.7 0.839 93.6 57.8 -65.5 -33.1 64.0 80.2 44.6 103 132 A H H << S+ 0 0 35 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.767 100.1 58.8 -66.1 -26.0 63.6 79.8 48.3 104 133 A E H <4 S+ 0 0 27 -3,-0.6 29,-1.3 -4,-0.4 3,-0.4 0.740 101.7 54.4 -74.5 -23.8 62.4 83.3 48.4 105 134 A L H << S+ 0 0 0 -3,-0.7 27,-0.2 -4,-0.7 -2,-0.2 0.789 117.3 35.3 -76.7 -32.1 59.6 82.3 46.0 106 135 A M S >< S+ 0 0 9 -4,-1.1 3,-1.8 24,-0.2 4,-0.3 0.086 85.3 142.9-109.6 20.1 58.5 79.5 48.4 107 136 A A T 3 S+ 0 0 15 -3,-0.4 -3,-0.1 1,-0.3 -4,-0.0 -0.481 78.0 4.7 -66.1 125.7 59.3 81.5 51.5 108 137 A D T 3 >S+ 0 0 29 -2,-0.2 5,-0.6 1,-0.0 3,-0.4 0.562 83.2 139.4 75.1 13.4 56.6 80.8 54.2 109 138 A L T < 5S+ 0 0 10 -3,-1.8 4,-0.5 1,-0.2 5,-0.4 0.895 72.9 53.4 -51.6 -39.1 55.0 78.2 52.0 110 139 A E T 5S+ 0 0 164 -4,-0.3 2,-2.1 1,-0.2 -1,-0.2 0.858 88.9 76.3 -63.5 -44.2 54.6 76.1 55.2 111 140 A K T 5S- 0 0 49 -3,-0.4 218,-0.3 1,-0.2 -1,-0.2 -0.070 113.5-103.0 -66.1 37.3 52.9 78.8 57.3 112 141 A E T 5S+ 0 0 103 -2,-2.1 -1,-0.2 -3,-0.4 -2,-0.1 0.823 77.1 141.1 40.9 47.1 49.5 78.3 55.6 113 142 A T < + 0 0 0 -5,-0.6 2,-0.3 -4,-0.5 212,-0.2 0.628 59.6 36.5 -89.4 -18.1 50.0 81.5 53.4 114 143 A V S S- 0 0 4 -5,-0.4 2,-0.1 211,-0.1 16,-0.0 -0.926 86.5-100.5-134.5 158.1 48.5 80.1 50.2 115 144 A D - 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0 0 1 -11,-2.1 -11,-0.2 -2,-1.2 2,-0.1 -0.730 17.5-138.5 -99.3 148.3 47.6 94.3 32.7 307 346 A N > - 0 0 32 -2,-0.3 4,-2.2 -102,-0.1 5,-0.2 -0.369 40.5 -86.7 -93.6 178.6 49.8 97.3 32.7 308 347 A L H > S+ 0 0 0 -104,-2.1 4,-2.1 1,-0.2 5,-0.2 0.933 129.9 45.0 -50.3 -53.5 53.0 97.9 34.7 309 348 A K H > S+ 0 0 52 -105,-0.3 4,-3.5 1,-0.2 5,-0.3 0.885 109.4 54.8 -59.0 -45.6 51.1 99.3 37.7 310 349 A D H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 110.8 47.3 -56.2 -41.7 48.5 96.5 37.5 311 350 A I H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.885 115.3 43.6 -67.3 -43.6 51.3 93.9 37.7 312 351 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.905 112.7 52.4 -69.1 -42.2 53.0 95.7 40.6 313 352 A A H X S+ 0 0 23 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.878 107.3 54.3 -60.7 -37.9 49.7 96.3 42.4 314 353 A A H X S+ 0 0 3 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.842 109.5 47.1 -64.9 -38.2 49.0 92.6 42.1 315 354 A F H >X S+ 0 0 3 -4,-1.3 4,-2.5 2,-0.2 3,-1.2 0.992 112.0 47.9 -67.5 -60.4 52.3 91.7 43.7 316 355 A V H 3X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 -2,-0.2 0.857 110.6 51.9 -48.1 -44.6 52.0 94.1 46.6 317 356 A R H 3X S+ 0 0 111 -4,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.820 109.6 51.2 -65.0 -29.3 48.4 92.9 47.3 318 357 A H H < S+ 0 0 2 -4,-3.0 3,-0.9 1,-0.2 7,-0.2 0.912 110.8 44.8 -59.0 -46.1 53.8 68.6 85.1 348 387 A L H >< S+ 0 0 10 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.665 102.8 64.3 -75.2 -17.3 57.4 69.1 86.0 349 388 A A H 3< S+ 0 0 29 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.562 118.2 28.0 -78.4 -14.4 56.6 71.4 89.0 350 389 A N T + 0 0 55 -3,-0.7 4,-3.6 1,-0.2 5,-0.3 0.866 66.5 60.0 -65.1 -42.6 56.8 65.4 89.1 352 391 A D H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 110.5 39.6 -56.8 -48.6 56.5 63.1 92.2 353 392 A P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.746 117.0 53.2 -74.4 -20.6 52.7 63.1 92.3 354 393 A I H X S+ 0 0 8 -4,-1.0 4,-2.0 -7,-0.2 3,-0.2 0.964 111.7 43.4 -72.3 -54.9 52.7 62.9 88.4 355 394 A I H X S+ 0 0 65 -4,-3.6 4,-3.5 1,-0.2 5,-0.2 0.875 110.4 56.9 -56.6 -43.8 55.1 59.8 88.4 356 395 A E H X S+ 0 0 115 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.902 107.9 47.5 -55.8 -44.4 53.1 58.2 91.2 357 396 A L H X S+ 0 0 34 -4,-1.2 4,-1.1 -3,-0.2 3,-0.2 0.895 115.8 45.0 -64.2 -42.7 49.9 58.4 89.2 358 397 A I H >< S+ 0 0 58 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.958 109.2 52.9 -68.9 -51.8 51.7 56.9 86.1 359 398 A R H 3< S+ 0 0 177 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.661 116.9 40.8 -60.4 -17.3 53.5 54.1 87.8 360 399 A H H 3< S+ 0 0 133 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.587 92.8 91.4-105.1 -19.0 50.3 52.9 89.4 361 400 A A << - 0 0 21 -4,-1.1 6,-0.1 -3,-0.7 -4,-0.0 -0.704 69.7-148.0 -79.0 121.2 48.0 53.4 86.4 362 401 A P S S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.973 76.3 27.5 -54.6 -59.0 48.0 50.1 84.5 363 402 A T S > S- 0 0 65 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.724 80.1-117.8-108.5 156.2 47.6 51.5 80.9 364 403 A P H > S+ 0 0 91 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.787 116.0 57.8 -57.7 -29.9 48.6 54.9 79.4 365 404 A A H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.898 107.2 46.7 -68.1 -40.3 44.9 55.6 78.8 366 405 A E H > S+ 0 0 98 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.851 110.5 51.5 -69.5 -36.1 44.1 55.1 82.5 367 406 A A H X S+ 0 0 2 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.837 107.9 55.5 -67.8 -30.4 47.0 57.4 83.4 368 407 A K H X S+ 0 0 48 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.888 107.5 47.4 -69.2 -39.8 45.5 59.9 80.9 369 408 A T H X S+ 0 0 88 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.919 110.9 50.7 -68.1 -43.9 42.1 59.8 82.7 370 409 A A H X S+ 0 0 38 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.752 107.9 54.5 -65.1 -27.9 43.7 60.3 86.2 371 410 A L H < S+ 0 0 0 -4,-1.3 3,-0.3 1,-0.2 37,-0.3 0.903 116.6 34.2 -73.8 -43.2 45.7 63.3 85.0 372 411 A V H < S+ 0 0 51 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.602 101.5 80.7 -87.5 -12.8 42.8 65.2 83.6 373 412 A A H < S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.806 100.7 29.3 -63.1 -32.9 40.4 64.0 86.4 374 413 A N S < S- 0 0 113 -4,-0.5 -1,-0.2 -3,-0.3 34,-0.2 -0.997 86.0-107.9-139.5 137.5 41.7 66.5 88.9 375 414 A P - 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0 0 3 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.261 20.5-127.7 -52.9 133.4 44.2 79.1 72.0 393 435 A E T 3 S+ 0 0 184 1,-0.3 -2,-0.0 -4,-0.1 -61,-0.0 0.526 111.5 53.0 -61.8 -6.5 41.0 80.7 70.6 394 436 A W T 3 S+ 0 0 130 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.611 82.7 110.6-101.7 -19.7 39.6 77.2 70.4 395 437 A L S < S- 0 0 18 -3,-1.7 -4,-0.0 1,-0.1 14,-0.0 -0.274 71.4-119.9 -61.0 139.2 40.2 76.2 74.0 396 438 A E > - 0 0 100 1,-0.1 3,-1.9 2,-0.0 -1,-0.1 -0.628 19.5-121.7 -80.2 140.1 37.2 75.7 76.2 397 439 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.606 106.8 72.6 -56.9 -15.5 37.1 78.0 79.3 398 440 A E T 3 S+ 0 0 81 4,-0.0 2,-0.3 0, 0.0 4,-0.1 0.424 93.1 70.4 -80.8 0.6 36.9 75.0 81.6 399 441 A F S < S+ 0 0 61 -3,-1.9 9,-0.2 2,-0.1 2,-0.1 -0.833 79.9 33.7-117.7 157.6 40.6 74.4 80.8 400 442 A G E S-O 407 0F 0 7,-2.5 7,-1.4 -2,-0.3 2,-0.4 -0.361 109.5 -21.2 91.5-179.5 43.7 76.2 81.8 401 443 A V E +O 406 0F 50 5,-0.2 5,-0.2 1,-0.2 -2,-0.1 -0.502 67.4 156.7 -65.5 117.2 44.5 78.1 85.0 402 444 A R S S- 0 0 118 3,-1.9 -1,-0.2 -2,-0.4 4,-0.1 0.791 73.3 -2.0-108.7 -49.7 41.1 78.9 86.6 403 445 A D S S- 0 0 131 2,-0.6 3,-0.1 0, 0.0 -2,-0.0 -0.449 122.4 -58.7-145.1 66.7 41.6 79.4 90.3 404 446 A G S S+ 0 0 48 1,-0.2 -26,-0.8 -22,-0.1 2,-0.3 0.491 120.2 91.4 72.0 0.9 45.2 78.8 91.2 405 447 A L E S-N 377 0F 48 -28,-0.2 -3,-1.9 -5,-0.1 -2,-0.6 -0.941 74.3-126.8-126.8 150.1 44.8 75.3 89.8 406 448 A Y E -NO 376 401F 0 -30,-2.4 -30,-1.7 -2,-0.3 2,-0.8 -0.865 10.6-155.0-106.2 124.6 45.4 74.0 86.3 407 449 A Y E - O 0 400F 64 -7,-1.4 -7,-2.5 -2,-0.5 -35,-0.1 -0.825 20.2-147.3 -98.2 104.5 42.8 72.1 84.3 408 450 A L - 0 0 6 -2,-0.8 2,-0.2 -37,-0.3 3,-0.0 -0.304 4.0-133.7 -71.0 148.6 44.5 69.8 81.8 409 451 A T > - 0 0 10 1,-0.1 4,-1.2 -2,-0.0 5,-0.1 -0.477 31.3-105.7 -91.5 172.2 43.0 69.0 78.4 410 452 A E H > S+ 0 0 121 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.888 124.1 49.0 -64.6 -34.8 43.0 65.4 77.1 411 453 A Q H >> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 3,-1.2 0.971 105.1 54.6 -66.8 -56.6 45.8 66.5 74.8 412 454 A Q H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.740 106.5 55.0 -49.0 -30.4 48.0 68.2 77.4 413 455 A A H 3X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.3 0.851 105.6 50.4 -73.4 -37.4 47.8 64.9 79.4 414 456 A Q H < S+ 0 0 8 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.947 113.1 50.2 -59.4 -47.3 52.9 64.8 79.7 417 459 A L H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 108.4 52.0 -62.4 -30.3 52.6 61.1 79.1 418 460 A D T 3< S+ 0 0 105 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.461 83.1 128.6 -85.3 -2.6 54.9 61.3 76.0 419 461 A L < - 0 0 44 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.1 -0.244 57.4-132.1 -56.1 135.7 57.5 63.2 78.1 420 462 A R > - 0 0 182 1,-0.1 3,-2.2 0, 0.0 4,-0.2 -0.746 15.2-122.5 -92.5 140.5 61.0 61.6 77.8 421 463 A L G > S+ 0 0 144 -2,-0.3 3,-2.5 1,-0.3 4,-0.2 0.861 110.5 63.4 -47.8 -42.5 62.9 61.0 81.1 422 464 A Q G > S+ 0 0 115 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.719 90.0 69.2 -56.9 -23.6 65.8 63.2 79.9 423 465 A K G < S+ 0 0 51 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.512 84.8 70.4 -73.6 -5.2 63.4 66.1 79.9 424 466 A L G < S+ 0 0 63 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.554 79.5 102.8 -88.1 -8.0 63.3 65.9 83.7 425 467 A T S <> S- 0 0 74 -3,-1.3 4,-1.0 -4,-0.2 -3,-0.0 -0.035 87.7-101.5 -67.2 173.6 66.9 67.2 83.9 426 468 A G H > S+ 0 0 60 2,-0.2 4,-1.3 1,-0.1 -1,-0.1 0.908 115.4 41.6 -65.8 -47.2 67.8 70.8 84.9 427 469 A L H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.956 111.6 52.3 -65.5 -57.4 68.6 72.2 81.4 428 470 A E H > S+ 0 0 37 -6,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.771 106.8 58.1 -51.8 -29.5 65.7 70.6 79.4 429 471 A H H >X S+ 0 0 33 -4,-1.0 4,-1.2 1,-0.2 3,-1.0 0.944 105.1 46.9 -66.9 -51.0 63.4 72.1 82.1 430 472 A E H 3X S+ 0 0 96 -4,-1.3 4,-3.5 -3,-0.4 5,-0.3 0.858 102.1 64.7 -60.5 -40.6 64.4 75.7 81.5 431 473 A K H 3X S+ 0 0 108 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.766 104.4 46.8 -55.4 -29.7 64.2 75.4 77.7 432 474 A L H S+ 0 0 73 -2,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.585 93.6 54.2 -69.0 -8.8 47.6 98.2 59.2 454 496 A D H > S+ 0 0 126 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.828 104.3 50.2 -90.6 -42.2 50.7 100.3 59.1 455 497 A R H > S+ 0 0 71 -7,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.827 109.6 54.4 -66.0 -30.2 52.9 97.9 60.9 456 498 A L H X S+ 0 0 21 -4,-1.7 4,-1.3 -7,-0.4 3,-0.3 0.893 110.8 43.2 -70.3 -42.5 51.7 95.2 58.5 457 499 A M H X S+ 0 0 37 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.790 109.2 59.0 -72.7 -27.7 52.7 97.3 55.4 458 500 A E H X S+ 0 0 76 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.717 102.7 53.8 -73.4 -19.4 56.0 98.2 57.2 459 501 A V H X S+ 0 0 15 -4,-0.8 4,-1.4 -3,-0.3 -1,-0.2 0.885 109.0 48.1 -78.1 -41.5 56.7 94.4 57.3 460 502 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 3,-0.4 0.939 109.9 52.4 -64.6 -46.8 56.2 94.1 53.6 461 503 A R H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.936 107.8 50.4 -54.5 -52.5 58.4 97.1 52.9 462 504 A E H X S+ 0 0 94 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.803 108.3 53.8 -56.7 -34.2 61.3 95.7 54.9 463 505 A E H X S+ 0 0 24 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.927 109.1 47.6 -67.2 -45.7 61.1 92.4 53.1 464 506 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 111.4 49.6 -63.3 -41.7 61.4 94.1 49.7 465 507 A E H X S+ 0 0 68 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.817 110.4 53.4 -67.3 -28.5 64.4 96.2 50.8 466 508 A L H X S+ 0 0 88 -4,-1.4 4,-2.0 -5,-0.2 5,-0.2 0.895 108.1 47.9 -73.3 -40.4 65.9 93.0 52.1 467 509 A V H X>S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 5,-0.7 0.870 108.8 54.5 -69.0 -35.3 65.5 91.2 48.7 468 510 A R H X5S+ 0 0 73 -4,-2.0 4,-0.7 3,-0.2 -1,-0.2 0.824 110.8 47.5 -66.4 -32.0 67.0 94.1 46.8 469 511 A E H <5S+ 0 0 152 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.986 121.5 30.7 -72.3 -60.5 70.1 94.0 49.0 470 512 A Q H <5S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.641 138.7 22.3 -75.8 -16.8 70.9 90.3 48.9 471 513 A F H <5S+ 0 0 33 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.2 0.589 92.0 106.9-125.3 -19.3 69.5 89.7 45.4 472 514 A G << + 0 0 23 -5,-0.7 2,-0.2 -4,-0.7 -315,-0.0 -0.392 45.0 171.3 -66.9 138.8 69.5 93.0 43.6 473 515 A D - 0 0 55 1,-0.1 -314,-0.3 -2,-0.1 -2,-0.1 -0.741 33.5 -63.2-135.2-173.3 72.1 93.3 40.9 474 516 A K - 0 0 176 -2,-0.2 2,-0.2 1,-0.1 -316,-0.1 -0.291 52.5-102.1 -75.3 156.9 73.3 95.6 38.0 475 517 A R - 0 0 66 1,-0.1 -1,-0.1 -318,-0.1 -288,-0.1 -0.559 31.7-176.6 -79.8 143.9 71.3 96.3 34.8 476 518 A R + 0 0 101 -2,-0.2 -1,-0.1 -288,-0.1 2,-0.1 0.854 60.3 67.0-104.4 -64.0 72.3 94.5 31.7 477 519 A T S S- 0 0 0 -289,-0.4 2,-0.3 -284,-0.1 -284,-0.3 -0.387 76.9-137.4 -63.5 132.6 70.2 95.7 28.7 478 520 A E E -i 193 0D 108 -286,-3.0 -284,-2.7 -2,-0.1 2,-0.5 -0.755 11.2-145.3 -93.1 141.4 70.9 99.4 27.8 479 521 A I E i 194 0D 23 -2,-0.3 -284,-0.2 -286,-0.2 -286,-0.0 -0.935 360.0 360.0-114.3 118.0 68.0 101.7 27.0 480 522 A T 0 0 90 -286,-2.5 -283,-0.1 -2,-0.5 -287,-0.0 -0.628 360.0 360.0-107.5 360.0 68.4 104.5 24.4