==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JAN-03 1NQV . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR X.ZHANG,W.MEINING,M.CUSHMAN,I.HAASE,M.FISCHER,A.BACHER,R.LAD . 770 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.6 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 4 1 0 5 0 0 0 0 0 0 0 5 0 5 5 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 0 5 5 0 5 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 5 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 5 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 M 0 0 66 0, 0.0 2,-0.5 0, 0.0 668,-0.2 0.000 360.0 360.0 360.0 135.0 170.7 17.5 108.7 2 2 A Q E -a 669 0A 91 666,-2.2 668,-3.3 663,-0.3 2,-0.4 -0.785 360.0-168.3 -84.6 129.7 167.0 18.4 109.0 3 3 A I E -a 670 0A 92 -2,-0.5 2,-0.4 666,-0.2 668,-0.2 -0.979 8.0-172.3-124.8 128.9 166.3 20.1 112.3 4 4 A Y E +a 671 0A 44 666,-2.7 668,-2.7 -2,-0.4 2,-0.3 -0.973 17.5 151.1-119.3 132.4 162.9 20.8 113.8 5 5 A E - 0 0 103 -2,-0.4 2,-0.4 666,-0.2 668,-0.1 -0.977 37.3-119.1-151.7 163.9 162.3 22.9 116.8 6 6 A G - 0 0 5 -2,-0.3 139,-0.1 666,-0.3 140,-0.1 -0.905 21.5-141.6-107.4 135.3 159.7 25.2 118.4 7 7 A K - 0 0 136 -2,-0.4 141,-0.3 137,-0.1 142,-0.2 -0.273 19.7-120.8 -79.0 175.3 160.3 28.8 119.2 8 8 A L S S+ 0 0 67 -2,-0.1 2,-0.4 140,-0.1 137,-0.1 0.330 75.2 106.9-109.1 11.6 158.9 30.4 122.4 9 9 A T - 0 0 80 1,-0.1 33,-0.2 135,-0.1 -2,-0.1 -0.738 51.5-161.8 -89.2 135.9 156.7 33.2 121.0 10 10 A A > + 0 0 0 31,-3.0 3,-2.3 -2,-0.4 34,-0.3 0.187 30.1 149.7-109.1 15.9 153.1 32.3 121.3 11 11 A E T 3 S+ 0 0 160 30,-0.4 32,-0.2 1,-0.3 3,-0.1 -0.211 78.8 2.2 -50.5 127.3 151.5 34.7 118.8 12 12 A G T 3 S+ 0 0 49 30,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.401 97.2 134.9 77.9 -5.3 148.3 33.1 117.4 13 13 A L < - 0 0 0 -3,-2.3 31,-0.4 25,-0.1 2,-0.4 -0.513 42.0-152.0 -83.1 148.1 148.6 29.9 119.6 14 14 A R - 0 0 90 -2,-0.2 59,-2.5 -3,-0.1 60,-0.9 -0.978 13.7-163.8-124.4 125.3 145.5 28.6 121.3 15 15 A F E -ef 48 74B 0 32,-1.7 34,-3.0 -2,-0.4 2,-0.4 -0.895 16.6-152.1-117.3 144.7 145.8 26.6 124.6 16 16 A G E -ef 49 75B 0 58,-2.6 60,-3.0 -2,-0.4 2,-0.4 -0.910 15.6-168.6-101.5 133.1 143.6 24.4 126.7 17 17 A I E -ef 50 76B 0 32,-3.1 34,-2.7 -2,-0.4 2,-0.5 -0.996 4.4-166.3-118.8 127.0 144.3 24.3 130.4 18 18 A V E -ef 51 77B 0 58,-2.5 60,-3.2 -2,-0.4 2,-0.4 -0.979 14.6-179.3-112.4 118.6 142.7 21.6 132.6 19 19 A A E -ef 52 78B 1 32,-2.6 34,-1.9 -2,-0.5 60,-0.2 -0.977 17.5-141.2-125.8 129.7 143.1 22.4 136.3 20 20 A S E -e 53 0B 2 58,-1.9 35,-0.2 -2,-0.4 36,-0.1 -0.500 7.3-142.7 -85.6 158.2 141.8 20.4 139.2 21 21 A R > + 0 0 83 32,-1.9 3,-1.6 33,-0.4 34,-0.2 0.692 68.4 105.6 -94.7 -22.1 140.3 21.9 142.4 22 22 A F T 3 S+ 0 0 133 32,-1.6 58,-0.4 1,-0.3 5,-0.2 -0.381 97.8 9.9 -60.4 136.6 141.8 19.5 144.9 23 23 A N T >> S+ 0 0 54 1,-0.1 4,-2.4 3,-0.1 3,-2.2 0.842 84.9 167.4 57.6 40.7 144.6 21.5 146.7 24 24 A H H <> + 0 0 110 -3,-1.6 4,-3.0 1,-0.3 5,-0.2 0.739 62.8 70.9 -58.7 -27.1 143.3 24.6 145.0 25 25 A A H 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.813 114.7 28.7 -64.8 -25.1 145.4 26.9 147.2 26 26 A L H X> S+ 0 0 24 -3,-2.2 4,-1.5 2,-0.1 3,-1.1 0.822 118.0 55.4 -95.6 -46.4 148.4 25.6 145.3 27 27 A V H 3X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.3 3,-0.2 0.908 101.7 60.5 -52.6 -42.2 146.7 24.7 142.0 28 28 A D H 3X S+ 0 0 43 -4,-3.0 4,-1.8 1,-0.2 -1,-0.3 0.809 102.8 50.8 -57.0 -31.7 145.5 28.3 141.7 29 29 A R H <> S+ 0 0 89 -3,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.863 108.7 52.5 -72.6 -36.3 149.1 29.5 141.7 30 30 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.895 108.5 49.8 -63.6 -41.3 150.0 27.0 138.9 31 31 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.910 108.6 52.8 -64.3 -44.4 147.1 28.4 136.8 32 32 A E H X S+ 0 0 106 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.905 111.6 47.1 -53.2 -47.0 148.3 32.0 137.4 33 33 A G H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 110.7 50.1 -64.7 -42.2 151.8 30.9 136.2 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 113.8 45.2 -62.8 -47.3 150.5 29.1 133.2 35 35 A I H X S+ 0 0 39 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.944 113.6 50.1 -64.2 -43.6 148.4 32.1 132.1 36 36 A D H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.905 109.2 51.7 -59.7 -43.8 151.1 34.5 132.7 37 37 A C H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.939 113.0 45.7 -59.3 -46.8 153.6 32.5 130.7 38 38 A I H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 3,-0.5 0.958 115.2 44.8 -61.9 -51.5 151.3 32.3 127.8 39 39 A V H ><5S+ 0 0 60 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.914 112.8 48.1 -64.0 -45.9 150.3 36.0 127.8 40 40 A R H 3<5S+ 0 0 175 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.672 105.5 59.9 -77.1 -9.8 153.8 37.4 128.2 41 41 A H T 3<5S- 0 0 51 -4,-1.1 -31,-3.0 -3,-0.5 -30,-0.4 0.348 130.6 -93.8 -88.8 6.2 155.1 35.2 125.5 42 42 A G T < 5S+ 0 0 44 -3,-1.9 -30,-0.4 1,-0.3 -3,-0.2 0.382 82.7 133.5 100.4 -1.0 152.6 36.9 123.1 43 43 A G < - 0 0 4 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.493 57.3-117.9 -76.4 151.0 149.6 34.5 123.3 44 44 A R > - 0 0 140 -31,-0.4 3,-1.4 -34,-0.3 -1,-0.1 -0.725 7.2-138.6 -91.2 144.1 146.2 36.1 123.8 45 45 A E G > S+ 0 0 72 -2,-0.4 3,-1.7 1,-0.3 112,-0.2 0.835 105.0 63.7 -68.2 -27.0 144.3 35.3 127.0 46 46 A E G 3 S+ 0 0 94 1,-0.3 -1,-0.3 110,-0.2 111,-0.2 0.644 95.3 61.4 -65.7 -22.6 141.1 35.0 124.9 47 47 A D G < S+ 0 0 36 -3,-1.4 -32,-1.7 -34,-0.1 2,-0.5 0.247 87.3 93.8 -92.6 10.4 142.8 32.1 123.2 48 48 A I E < -e 15 0B 0 -3,-1.7 109,-1.8 -34,-0.2 2,-0.5 -0.884 58.1-161.7-102.4 130.3 143.0 30.2 126.4 49 49 A T E -eg 16 157B 5 -34,-3.0 -32,-3.1 -2,-0.5 2,-0.5 -0.972 9.1-163.1-110.2 120.9 140.3 27.7 127.3 50 50 A L E -eg 17 158B 3 107,-3.3 109,-2.8 -2,-0.5 2,-0.5 -0.912 6.0-173.3-106.2 124.5 140.3 26.8 131.0 51 51 A V E -eg 18 159B 0 -34,-2.7 -32,-2.6 -2,-0.5 2,-0.4 -0.980 9.7-154.0-117.2 125.2 138.4 23.7 132.2 52 52 A R E +e 19 0B 59 107,-2.6 109,-0.3 -2,-0.5 -32,-0.2 -0.804 15.2 176.8 -99.7 141.2 138.1 23.0 135.9 53 53 A V E -e 20 0B 0 -34,-1.9 -32,-1.9 -2,-0.4 -31,-0.3 -0.915 38.0-110.1-135.9 160.3 137.6 19.5 137.3 54 54 A P S S- 0 0 20 0, 0.0 -32,-1.6 0, 0.0 -33,-0.4 0.931 86.5 -9.5 -57.8 -54.8 137.4 18.2 140.9 55 55 A G S > S- 0 0 9 -34,-0.2 3,-1.2 -35,-0.2 4,-0.5 -0.861 74.9 -89.7-143.3 174.3 140.7 16.3 141.2 56 56 A S G > S+ 0 0 6 -2,-0.3 3,-1.5 1,-0.3 25,-0.1 0.839 118.9 67.1 -56.1 -34.5 143.7 15.0 139.3 57 57 A W G 3 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.861 102.6 46.5 -52.1 -38.3 141.8 11.8 138.6 58 58 A E G <> S+ 0 0 17 -3,-1.2 4,-1.4 1,-0.2 -1,-0.3 0.478 87.8 88.8 -86.5 -5.0 139.4 13.7 136.4 59 59 A I H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.5 5,-0.2 0.918 82.9 54.7 -62.0 -46.5 142.0 15.7 134.5 60 60 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.912 106.1 48.6 -57.0 -50.3 142.5 13.1 131.7 61 61 A V H > S+ 0 0 6 -4,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.868 116.0 44.8 -62.1 -35.6 138.8 12.7 130.6 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 3,-0.4 0.917 112.2 51.7 -70.4 -42.2 138.5 16.6 130.4 63 63 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.865 103.6 59.8 -62.2 -34.3 141.8 16.9 128.6 64 64 A G H X S+ 0 0 1 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.883 106.1 46.9 -59.1 -39.9 140.6 14.3 126.1 65 65 A E H < S+ 0 0 8 -4,-1.1 4,-0.4 -3,-0.4 -2,-0.2 0.905 115.5 45.0 -71.4 -40.4 137.7 16.6 125.2 66 66 A L H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.910 109.3 53.8 -69.4 -42.9 139.9 19.7 124.8 67 67 A A H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 101.3 61.6 -65.5 -23.1 142.6 18.0 122.9 68 68 A R T 3< S+ 0 0 79 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.628 80.3 104.5 -75.9 -13.6 140.1 16.8 120.4 69 69 A K X - 0 0 51 -3,-1.5 3,-1.6 -4,-0.4 -3,-0.0 -0.519 67.3-146.5 -72.6 129.2 139.2 20.4 119.5 70 70 A E T 3 S+ 0 0 189 -2,-0.3 -1,-0.2 1,-0.3 -4,-0.0 0.783 98.3 56.2 -65.9 -26.6 140.7 21.4 116.2 71 71 A D T 3 S+ 0 0 81 2,-0.0 2,-0.5 -56,-0.0 -1,-0.3 0.189 88.4 88.7 -93.7 17.8 141.1 25.0 117.4 72 72 A I < - 0 0 4 -3,-1.6 -57,-0.2 -5,-0.1 3,-0.1 -0.970 54.4-172.1-110.7 122.4 143.2 23.9 120.4 73 73 A D - 0 0 39 -59,-2.5 2,-0.3 -2,-0.5 -58,-0.2 0.804 68.4 -7.0 -84.8 -29.4 147.0 23.7 119.7 74 74 A A E -f 15 0B 0 -60,-0.9 -58,-2.6 35,-0.1 2,-0.4 -0.978 62.6-132.1-160.6 154.9 148.1 22.1 122.9 75 75 A V E -fh 16 111B 0 35,-2.2 37,-2.9 -2,-0.3 2,-0.5 -0.941 11.3-154.7-117.1 137.4 146.7 21.2 126.3 76 76 A I E -fh 17 112B 0 -60,-3.0 -58,-2.5 -2,-0.4 2,-0.5 -0.958 9.6-150.8-112.7 121.3 148.3 22.0 129.6 77 77 A A E -fh 18 113B 0 35,-2.3 37,-2.8 -2,-0.5 2,-0.5 -0.823 16.7-176.5 -96.9 122.4 147.5 19.7 132.6 78 78 A I E +fh 19 114B 0 -60,-3.2 -58,-1.9 -2,-0.5 2,-0.3 -0.968 18.9 124.1-126.4 123.5 147.6 21.3 136.0 79 79 A G E - h 0 115B 0 35,-1.2 37,-2.7 -2,-0.5 2,-0.4 -0.983 42.9-127.3-164.1 169.8 147.0 19.7 139.3 80 80 A V E - h 0 116B 1 -58,-0.4 2,-0.5 -2,-0.3 -24,-0.2 -0.964 19.2-179.2-135.1 115.5 148.5 19.0 142.8 81 81 A L E - h 0 117B 16 35,-2.5 37,-3.0 -2,-0.4 2,-0.4 -0.956 3.4-176.5-108.4 128.8 148.9 15.6 144.4 82 82 A I E - h 0 118B 38 -2,-0.5 37,-0.2 35,-0.2 38,-0.1 -0.997 34.8-105.9-125.7 130.3 150.3 15.4 147.9 83 83 A R - 0 0 85 35,-2.4 2,-0.1 -2,-0.4 38,-0.1 -0.216 36.6-169.0 -58.8 130.7 150.9 11.9 149.4 84 84 A G - 0 0 53 2,-0.5 -1,-0.1 36,-0.1 0, 0.0 -0.234 45.8 -78.1 -95.4-156.3 148.4 11.0 152.1 85 85 A A S S+ 0 0 60 -2,-0.1 189,-0.1 193,-0.0 -2,-0.1 0.716 111.0 52.5 -79.7 -25.1 148.7 8.0 154.5 86 86 A T S > S- 0 0 8 187,-0.1 3,-0.8 192,-0.1 -2,-0.5 -0.600 96.3-100.7-107.9 172.4 147.6 5.4 152.0 87 87 A P T 3> S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.276 90.2 109.6 -72.8 8.9 148.6 4.5 148.5 88 88 A H H 3> S+ 0 0 66 184,-0.4 4,-2.3 1,-0.2 5,-0.2 0.924 76.1 55.5 -46.0 -48.4 145.6 6.4 147.1 89 89 A F H <> S+ 0 0 5 -3,-0.8 4,-3.1 1,-0.2 5,-0.3 0.900 104.2 53.5 -51.4 -47.9 148.2 9.0 145.9 90 90 A D H > S+ 0 0 45 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 109.3 45.7 -58.3 -47.9 150.1 6.3 143.9 91 91 A Y H X S+ 0 0 18 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.906 117.1 44.0 -69.5 -37.3 147.1 5.0 142.0 92 92 A I H X S+ 0 0 15 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.950 114.9 48.2 -72.1 -47.3 145.8 8.5 141.1 93 93 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 5,-0.3 0.921 113.2 50.2 -56.7 -42.2 149.3 9.8 140.2 94 94 A S H X S+ 0 0 44 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.915 114.7 41.9 -64.2 -43.9 149.9 6.7 138.0 95 95 A E H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.846 111.8 53.3 -77.8 -31.2 146.6 7.0 136.2 96 96 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.945 113.9 42.5 -65.6 -46.5 146.7 10.7 135.6 97 97 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.929 115.9 49.0 -68.3 -39.9 150.1 10.6 134.1 98 98 A K H X S+ 0 0 17 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.927 111.8 49.0 -65.4 -42.9 149.3 7.5 132.0 99 99 A G H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.928 111.7 47.7 -62.5 -49.1 146.1 9.0 130.7 100 100 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.924 114.4 46.3 -57.4 -45.6 147.6 12.2 129.7 101 101 A A H X S+ 0 0 13 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.923 113.4 48.9 -65.7 -43.0 150.5 10.6 127.9 102 102 A N H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 110.5 51.6 -61.8 -44.8 148.2 8.1 126.2 103 103 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 6,-0.2 0.918 105.7 55.1 -58.8 -43.5 145.9 10.9 125.0 104 104 A S H X>S+ 0 0 8 -4,-2.2 5,-1.7 -5,-0.2 4,-0.7 0.938 112.9 41.3 -58.1 -42.6 148.7 12.8 123.6 105 105 A L H <5S+ 0 0 21 -4,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.915 115.0 50.4 -72.5 -41.1 149.8 9.9 121.4 106 106 A E H <5S+ 0 0 125 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.1 35.5 -66.0 -40.4 146.3 8.9 120.4 107 107 A L H <5S- 0 0 41 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.479 100.8-132.2 -92.5 -0.1 145.4 12.4 119.4 108 108 A R T <5 + 0 0 64 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.917 67.9 118.1 48.5 50.4 148.8 13.3 118.0 109 109 A K S S- 0 0 60 1,-0.1 4,-1.8 -38,-0.1 5,-0.1 -0.904 76.2-120.6-131.5 160.9 155.0 16.4 151.3 121 121 A L H > S+ 0 0 103 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.910 114.7 57.7 -62.7 -39.5 153.1 19.7 151.4 122 122 A E H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 104.5 50.4 -58.0 -43.8 156.4 21.5 151.6 123 123 A Q H > S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.874 109.6 51.5 -63.8 -37.1 157.5 20.0 148.4 124 124 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.935 109.7 48.6 -65.6 -45.6 154.2 21.1 146.8 125 125 A I H >< S+ 0 0 73 -4,-2.6 3,-1.2 1,-0.2 5,-0.4 0.898 106.6 57.7 -58.6 -43.5 154.6 24.7 148.0 126 126 A E H 3X S+ 0 0 27 -4,-2.3 6,-2.3 1,-0.3 4,-0.7 0.822 112.2 41.0 -55.2 -35.5 158.1 24.8 146.6 127 127 A R T 3< S+ 0 0 24 -4,-1.2 8,-2.3 -3,-0.5 -1,-0.3 0.375 101.4 72.0 -98.9 2.1 156.9 23.9 143.2 128 128 A A E <4 S-I 134 0C 6 -3,-1.2 6,-0.3 -4,-0.5 -1,-0.2 -0.357 131.2 -45.8-114.4 49.7 153.8 26.1 143.1 129 129 A G E 4 S+ 0 0 48 4,-3.1 5,-0.2 -3,-0.3 -2,-0.1 0.701 115.6 84.3 100.5 14.8 155.4 29.5 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84 E G - 0 0 51 2,-0.4 -1,-0.1 36,-0.1 0, 0.0 -0.194 46.2 -76.2 -97.2-156.2 164.6 15.0 142.2 705 85 E A S S+ 0 0 60 -2,-0.1 -586,-0.1 -582,-0.0 -2,-0.1 0.735 110.9 51.3 -78.5 -24.7 163.1 15.0 145.6 706 86 E T S > S- 0 0 8 -588,-0.1 3,-0.8 -583,-0.1 -2,-0.4 -0.578 96.4 -99.9-109.2 174.3 159.6 13.9 144.6 707 87 E P T 3> S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.299 90.2 110.0 -76.1 9.0 158.3 11.0 142.5 708 88 E H H 3> S+ 0 0 68 -591,-0.4 4,-2.1 1,-0.2 5,-0.2 0.916 75.9 55.6 -44.4 -48.4 157.9 13.4 139.5 709 89 E F H <> S+ 0 0 6 -3,-0.8 4,-3.0 1,-0.2 5,-0.3 0.891 104.2 53.4 -52.5 -48.3 160.9 11.5 138.0 710 90 E D H > S+ 0 0 45 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.894 109.0 46.0 -57.8 -47.4 159.0 8.1 138.3 711 91 E Y H X S+ 0 0 17 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.908 117.1 44.4 -67.8 -39.5 155.9 9.2 136.5 712 92 E I H X S+ 0 0 16 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.964 115.2 47.3 -70.4 -46.9 157.8 10.9 133.6 713 93 E A H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 5,-0.3 0.926 113.4 50.2 -57.6 -43.3 160.3 8.0 133.3 714 94 E S H X S+ 0 0 43 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.929 114.8 41.9 -62.5 -47.3 157.5 5.5 133.3 715 95 E E H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.850 112.1 52.6 -75.2 -31.8 155.5 7.3 130.7 716 96 E V H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.944 114.0 43.2 -67.0 -45.1 158.4 8.1 128.4 717 97 E S H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.926 115.9 48.4 -66.9 -41.7 159.5 4.5 128.2 718 98 E K H X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.926 112.0 49.1 -63.9 -44.0 156.0 3.2 127.9 719 99 E G H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.927 112.0 47.2 -61.4 -47.8 155.1 5.6 125.1 720 100 E L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.940 114.1 47.1 -60.0 -45.6 158.2 4.9 123.1 721 101 E A H X S+ 0 0 14 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.933 113.3 49.0 -64.7 -40.9 157.7 1.1 123.4 722 102 E N H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.912 109.9 51.2 -64.1 -44.6 154.1 1.4 122.5 723 103 E L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 6,-0.2 0.889 106.0 55.4 -60.9 -40.1 154.7 3.5 119.4 724 104 E S H X>S+ 0 0 8 -4,-2.1 5,-1.7 -5,-0.2 4,-0.7 0.922 113.2 41.0 -60.1 -42.6 157.3 1.1 118.2 725 105 E L H <5S+ 0 0 18 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.900 115.6 50.0 -71.3 -44.1 154.9 -1.8 118.3 726 106 E E H <5S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.936 120.5 35.1 -61.3 -45.1 152.0 0.2 116.9 727 107 E L H <5S- 0 0 40 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.466 101.2-131.9 -90.7 -1.6 154.0 1.6 114.0 728 108 E R T <5 + 0 0 64 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.912 67.8 118.6 51.8 51.1 156.0 -1.6 113.5 729 109 E K S S- 0 0 61 1,-0.1 4,-1.5 -38,-0.1 5,-0.1 -0.928 76.6-118.9-134.7 159.3 172.0 11.0 140.7 741 121 E L H > S+ 0 0 100 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 114.6 58.1 -59.6 -41.1 173.7 13.6 138.6 742 122 E E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 104.6 49.8 -58.6 -44.1 176.9 11.7 138.9 743 123 E Q H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.861 109.5 52.0 -61.8 -38.0 175.3 8.6 137.3 744 124 E A H < S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 3,-0.4 0.914 109.8 48.3 -64.0 -45.1 173.9 10.8 134.5 745 125 E I H >< S+ 0 0 73 -4,-2.6 3,-1.3 1,-0.2 5,-0.4 0.909 106.8 57.8 -59.4 -44.4 177.4 12.2 133.8 746 126 E E H 3X S+ 0 0 27 -4,-2.4 6,-2.2 1,-0.3 4,-0.7 0.825 112.2 40.9 -52.6 -36.0 178.8 8.7 133.8 747 127 E R T 3< S+ 0 0 24 -4,-1.1 8,-2.2 -3,-0.4 -1,-0.3 0.365 101.3 71.9-100.0 2.8 176.4 7.7 131.0 748 128 E A E <4 S-Y 754 0J 6 -3,-1.3 6,-0.3 -4,-0.5 -1,-0.2 -0.381 131.1 -45.3-115.5 50.8 176.7 10.9 128.9 749 129 E G E 4 S+ 0 0 47 4,-3.0 5,-0.2 -3,-0.3 -2,-0.1 0.675 115.3 85.0 100.9 13.3 180.1 10.5 127.4 750 130 E T E >< S-Y 753 0J 71 3,-1.0 3,-2.0 -4,-0.7 -1,-0.2 -0.138 97.4 -30.3-118.4-136.3 182.3 9.5 130.4 751 131 E K T 3 S+ 0 0 161 1,-0.3 -4,-0.1 -2,-0.1 -5,-0.1 0.742 133.9 45.6 -63.3 -27.5 183.1 6.2 132.2 752 132 E H T 3 S- 0 0 89 -6,-2.2 -1,-0.3 1,-0.3 -5,-0.1 0.047 113.7-117.3-103.4 27.8 179.9 4.4 131.5 753 133 E G E < -Y 750 0J 27 -3,-2.0 -4,-3.0 1,-0.1 -3,-1.0 -0.312 38.0 -57.4 82.8-158.1 179.9 5.4 127.8 754 134 E N E > -Y 748 0J 27 -6,-0.3 4,-2.3 -5,-0.2 3,-0.3 -0.947 32.4-159.7-133.9 107.7 177.4 7.5 125.8 755 135 E K H > S+ 0 0 37 -8,-2.2 4,-2.4 -2,-0.4 5,-0.2 0.740 93.6 58.0 -66.1 -23.4 173.8 6.3 125.7 756 136 E G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 107.2 46.9 -67.1 -44.9 173.2 8.3 122.5 757 137 E W H > S+ 0 0 80 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.937 114.0 49.4 -60.0 -47.3 175.9 6.5 120.7 758 138 E E H X S+ 0 0 81 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 111.0 47.3 -59.9 -46.8 174.5 3.2 122.1 759 139 E A H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.847 111.9 51.7 -65.9 -32.9 170.9 3.9 121.0 760 140 E A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 107.9 51.3 -67.1 -44.8 172.1 5.0 117.6 761 141 E L H X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 110.1 50.2 -59.5 -39.6 174.1 1.8 117.1 762 142 E S H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.901 109.0 51.8 -63.6 -39.7 171.0 -0.2 118.1 763 143 E A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.894 107.2 53.2 -66.5 -36.6 168.9 1.8 115.6 764 144 E I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.967 112.2 44.6 -59.2 -50.3 171.4 1.0 112.8 765 145 E E H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.902 114.8 47.9 -62.9 -44.4 171.2 -2.7 113.6 766 146 E M H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.880 109.6 51.6 -66.8 -41.0 167.4 -2.6 113.8 767 147 E A H X S+ 0 0 5 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.936 113.0 46.0 -61.5 -45.2 166.9 -0.7 110.6 768 148 E N H >X S+ 0 0 9 -4,-2.4 4,-0.6 -141,-0.3 3,-0.6 0.928 112.8 50.4 -62.5 -44.5 169.1 -3.1 108.7 769 149 E L H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.5 0.927 107.0 55.3 -57.4 -44.4 167.3 -6.1 110.3 770 150 E F H 3X S+ 0 0 16 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.739 88.3 75.6 -67.0 -22.6 164.0 -4.6 109.3 771 151 E K H << S+ 0 0 135 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.861 116.5 20.5 -53.8 -35.4 165.1 -4.4 105.7 772 152 E S H << S+ 0 0 71 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.772 127.8 49.7-102.3 -32.4 164.5 -8.2 105.6 773 153 E L H < 0 0 9 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.848 360.0 360.0 -76.3 -35.1 162.2 -8.7 108.6 774 154 E R < 0 0 149 -4,-2.1 -247,-0.0 -5,-0.2 -45,-0.0 -0.552 360.0 360.0 -85.0 360.0 159.5 -6.1 108.0