==== 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 22-MAY-06 2H34 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PKNE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.GAY,H.L.NG,T.ALBER . 486 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 15.8 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 . 4 0.8 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 . 36 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 1 1 3 2 1 0 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 0 3 3 2 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 2 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 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 14 A G 0 0 71 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-109.3 9.5 8.2 32.5 2 15 A P + 0 0 48 0, 0.0 21,-2.1 0, 0.0 22,-0.3 0.579 360.0 77.9 -58.4 -10.1 11.9 5.5 31.4 3 16 A Y E S-A 22 0A 21 19,-0.2 2,-0.4 20,-0.1 19,-0.2 -0.587 70.7-149.5-102.2 161.4 14.1 8.5 31.1 4 17 A R E -A 21 0A 51 17,-0.7 17,-1.6 -2,-0.2 0, 0.0 -0.958 28.9-121.9-133.5 114.9 16.0 10.7 33.6 5 18 A L E +A 20 0A 111 -2,-0.4 15,-0.2 15,-0.2 2,-0.2 -0.008 35.8 167.1 -53.6 152.6 16.4 14.4 32.7 6 19 A R E + 0 0 130 13,-1.6 -1,-0.1 1,-0.1 2,-0.1 -0.517 45.1 1.7-140.3-145.1 19.9 16.1 32.3 7 20 A R E - 0 0 55 -2,-0.2 12,-1.4 1,-0.1 2,-0.7 -0.217 66.9-123.3 -58.0 120.1 21.4 19.4 31.0 8 21 A L E +A 18 0A 107 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.496 51.0 150.0 -60.7 103.8 18.9 21.8 29.6 9 22 A V E + 0 0 52 8,-0.9 138,-0.1 -2,-0.7 -3,-0.1 -0.978 40.8 37.7-143.4 132.6 20.1 22.4 26.0 10 23 A G E - 0 0 2 137,-1.1 7,-0.6 -2,-0.3 2,-0.2 0.209 55.6-148.6 96.9 136.5 17.8 23.3 23.1 11 24 A R E -A 16 0A 151 5,-0.2 5,-0.2 -3,-0.1 136,-0.1 -0.717 23.2-169.1-141.3 84.0 14.8 25.5 23.1 12 25 A G - 0 0 6 3,-0.6 133,-0.2 -2,-0.2 135,-0.0 0.056 34.7 -96.5 -72.1 179.4 12.2 24.4 20.6 13 26 A G S S+ 0 0 77 131,-0.6 132,-0.1 1,-0.1 -1,-0.0 0.973 115.5 4.1 -60.3 -60.9 9.0 26.0 19.3 14 27 A X S S+ 0 0 76 30,-0.0 21,-0.2 34,-0.0 2,-0.2 0.645 132.5 41.0-102.3 -22.3 6.4 24.4 21.5 15 28 A G S S- 0 0 0 19,-0.3 -3,-0.6 21,-0.0 2,-0.5 -0.764 71.3-123.5-126.4 169.7 8.7 22.3 23.7 16 29 A D E -AB 11 33A 32 17,-2.5 17,-2.0 -2,-0.2 2,-0.3 -0.968 28.0-135.5-117.6 127.5 12.0 22.5 25.6 17 30 A V E - B 0 32A 4 -7,-0.6 -8,-0.9 -2,-0.5 2,-0.3 -0.622 21.2-178.0 -86.4 136.1 14.7 19.9 24.9 18 31 A Y E -AB 8 31A 69 13,-2.9 13,-3.2 -2,-0.3 2,-0.3 -0.937 32.0-116.5-118.8 151.8 16.7 18.1 27.6 19 32 A E E - B 0 30A 63 -12,-1.4 -13,-1.6 -2,-0.3 2,-0.3 -0.665 46.9-176.1 -73.7 145.6 19.5 15.6 27.2 20 33 A A E -AB 5 29A 0 9,-2.7 9,-3.2 -2,-0.3 2,-0.7 -0.997 30.4-126.1-154.2 141.8 18.3 12.4 28.7 21 34 A E E -AB 4 28A 62 -17,-1.6 2,-0.8 -2,-0.3 -17,-0.7 -0.814 18.4-147.3 -92.9 113.3 19.3 8.8 29.6 22 35 A D E >> -AB 3 27A 1 5,-2.5 5,-1.3 -2,-0.7 4,-0.9 -0.709 14.4-169.5 -74.7 109.8 17.0 6.2 28.2 23 36 A T T 45S+ 0 0 72 -21,-2.1 -1,-0.2 -2,-0.8 -20,-0.1 0.709 82.2 44.8 -81.8 -24.6 17.4 3.6 31.0 24 37 A V T 45S+ 0 0 97 -22,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.946 120.6 38.5 -73.9 -59.7 15.6 0.8 29.1 25 38 A R T 45S- 0 0 19 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.560 103.6-135.9 -75.1 -8.1 17.4 1.3 25.8 26 39 A E T <5 + 0 0 83 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.854 63.5 101.5 60.0 44.0 20.7 2.1 27.6 27 40 A R E - 0 0 12 42,-1.7 3,-1.0 -2,-0.5 42,-0.4 -0.626 49.4-142.1 -73.1 62.9 6.2 20.1 25.3 35 48 A S G > + 0 0 50 -2,-1.8 3,-0.9 -21,-0.2 4,-0.2 -0.130 63.0 16.8 -38.9 157.6 6.5 21.5 28.8 36 49 A E G 3 S- 0 0 158 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.531 110.5 -89.2 57.5 18.2 3.9 22.5 31.3 37 50 A T G X + 0 0 60 -3,-1.0 3,-0.5 1,-0.1 -1,-0.3 0.956 67.6 159.9 51.9 59.8 1.1 20.7 29.4 38 51 A L G X + 0 0 74 -3,-0.9 3,-0.9 1,-0.2 2,-0.6 0.790 65.8 67.5 -76.3 -30.4 0.2 23.6 27.1 39 52 A S G 3 + 0 0 16 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.248 52.0 115.3 -90.5 44.7 -1.5 21.1 24.8 40 53 A S G < + 0 0 96 -2,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.749 69.2 85.7 -66.6 -28.5 -4.3 20.1 27.1 41 54 A D S X> S- 0 0 60 -3,-0.9 4,-2.2 1,-0.1 3,-0.5 -0.565 86.8-139.4 -68.6 130.3 -5.9 21.9 24.1 42 55 A P H 3> S+ 0 0 83 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.702 97.8 66.8 -68.0 -20.1 -6.5 19.4 21.3 43 56 A V H 3> S+ 0 0 103 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.868 110.0 34.8 -70.5 -40.5 -5.4 22.0 18.7 44 57 A F H <> S+ 0 0 72 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.911 116.6 58.6 -71.6 -47.5 -1.8 21.9 20.0 45 58 A R H X S+ 0 0 55 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.932 111.7 36.8 -44.2 -65.2 -2.2 18.1 20.8 46 59 A T H X S+ 0 0 77 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.805 116.6 53.5 -65.2 -33.5 -3.0 17.0 17.2 47 60 A R H X S+ 0 0 35 -4,-0.9 4,-2.2 -5,-0.3 3,-0.4 0.943 110.0 44.1 -68.3 -49.8 -0.7 19.5 15.5 48 61 A X H < S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.481 117.7 46.6 -80.1 -2.5 2.5 18.6 17.3 49 62 A Q H X S+ 0 0 83 -4,-0.6 4,-0.9 -5,-0.3 -1,-0.2 0.496 108.5 57.4-106.9 -12.6 1.8 14.9 17.0 50 63 A R H X S+ 0 0 55 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.937 114.2 35.5 -74.2 -53.2 1.0 15.4 13.3 51 64 A E H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -3,-0.1 0.726 113.0 60.4 -76.4 -21.7 4.4 16.9 12.4 52 65 A A H > S+ 0 0 10 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.886 106.1 48.6 -64.6 -39.9 6.0 14.5 14.9 53 66 A R H < S+ 0 0 10 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.836 112.8 46.8 -66.9 -35.6 4.6 11.7 12.8 54 67 A T H >< S+ 0 0 19 -4,-1.4 3,-0.7 2,-0.2 4,-0.4 0.826 107.9 57.4 -75.7 -32.1 5.9 13.3 9.6 55 68 A A H >< S+ 0 0 33 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.951 106.4 47.1 -63.1 -49.5 9.3 13.9 11.2 56 69 A G T 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.468 104.1 64.5 -73.4 -1.1 9.8 10.2 12.0 57 70 A R T < S+ 0 0 102 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 0.574 82.4 102.7 -89.6 -14.5 8.7 9.4 8.4 58 71 A L < - 0 0 25 -3,-1.6 8,-0.2 -4,-0.4 59,-0.0 -0.358 45.9-177.7 -73.5 149.2 11.8 11.2 7.1 59 72 A Q + 0 0 79 268,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.409 40.8 121.7-122.9 -6.1 14.7 9.2 5.8 60 73 A E > - 0 0 28 1,-0.1 3,-1.1 53,-0.1 -2,-0.0 -0.387 60.8-137.2 -65.9 136.1 17.1 12.0 4.9 61 74 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 0.493 97.1 62.6 -76.9 -6.0 20.4 11.7 6.9 62 75 A H T 3 S+ 0 0 17 47,-0.1 80,-2.8 2,-0.1 2,-0.5 0.129 89.7 83.9-102.2 16.5 20.8 15.4 7.7 63 76 A V B < S-e 142 0B 12 -3,-1.1 80,-0.1 78,-0.2 3,-0.1 -0.990 94.7-107.4-114.8 126.7 17.6 15.3 9.7 64 77 A V - 0 0 21 78,-0.7 2,-0.1 -2,-0.5 -2,-0.1 -0.294 38.7-114.2 -45.5 125.0 17.9 14.1 13.3 65 78 A P - 0 0 4 0, 0.0 16,-1.9 0, 0.0 2,-0.6 -0.457 22.6-135.9 -61.2 136.5 16.4 10.5 13.6 66 79 A I E -D 80 0A 12 14,-0.2 14,-0.3 -8,-0.2 3,-0.1 -0.904 18.3-173.1 -96.6 122.0 13.3 10.3 15.7 67 80 A H E - 0 0 3 12,-2.6 2,-0.3 -2,-0.6 13,-0.2 0.937 59.8 -32.1 -75.3 -49.2 13.4 7.3 18.1 68 81 A D E -D 79 0A 18 11,-1.6 11,-2.9 2,-0.0 -1,-0.3 -0.956 51.8-170.6-164.7 167.1 9.9 7.5 19.6 69 82 A F E +D 78 0A 33 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.959 31.2 94.9-166.4 159.6 7.0 9.7 20.6 70 83 A G E -D 77 0A 30 7,-1.4 7,-1.9 -2,-0.3 2,-0.4 -0.981 67.5 -40.6 157.1-142.8 3.7 9.6 22.5 71 84 A E E +D 76 0A 130 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.975 37.1 168.9-122.7 139.6 2.5 10.3 26.0 72 85 A I E > S-D 75 0A 48 3,-2.3 3,-0.9 -2,-0.4 -2,-0.1 -0.960 81.8 -8.0-134.4 133.0 3.8 9.6 29.5 73 86 A D T 3 S- 0 0 137 -2,-0.3 2,-1.4 1,-0.3 3,-0.1 0.902 125.3 -60.9 54.6 48.6 2.2 11.3 32.5 74 87 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 -34,-0.0 2,-0.2 -0.059 114.2 118.8 72.0 -37.5 0.0 13.5 30.3 75 88 A Q E < - D 0 72A 54 -2,-1.4 -3,-2.3 -3,-0.9 2,-0.4 -0.393 61.5-137.7 -68.9 129.1 3.2 15.0 28.9 76 89 A L E - D 0 71A 21 -42,-0.4 -42,-1.7 -5,-0.2 2,-0.3 -0.753 28.6-172.0 -88.1 130.1 3.8 14.6 25.2 77 90 A Y E -CD 33 70A 29 -7,-1.9 -7,-1.4 -2,-0.4 2,-0.4 -0.836 24.4-159.0-125.1 154.8 7.4 13.7 24.3 78 91 A V E -CD 32 69A 9 -46,-1.7 -46,-2.4 -2,-0.3 2,-0.5 -0.963 14.4-158.5-131.6 119.4 9.6 13.2 21.3 79 92 A D E +CD 31 68A 0 -11,-2.9 -12,-2.6 -2,-0.4 -11,-1.6 -0.858 22.4 168.4 -99.9 124.5 12.7 11.1 21.7 80 93 A X E -CD 30 66A 11 -50,-3.3 -50,-2.9 -2,-0.5 -14,-0.2 -0.904 40.2 -80.9-136.7 161.1 15.5 11.7 19.2 81 94 A R E -C 29 0A 11 -16,-1.9 2,-0.5 -2,-0.3 -52,-0.1 -0.300 48.0-122.6 -55.3 134.8 19.2 10.9 18.4 82 95 A L - 0 0 24 -54,-0.5 2,-0.4 -18,-0.0 -1,-0.1 -0.750 28.8-163.1 -88.8 128.9 21.6 13.1 20.3 83 96 A I - 0 0 28 -2,-0.5 2,-0.2 2,-0.0 223,-0.0 -0.899 7.8-149.7-118.2 142.2 24.0 15.2 18.3 84 97 A N + 0 0 108 -2,-0.4 2,-0.3 221,-0.1 52,-0.1 -0.623 47.4 75.7 -95.4 160.6 27.2 16.9 19.1 85 98 A G - 0 0 45 -2,-0.2 2,-0.3 50,-0.1 50,-0.2 -0.823 67.7 -73.2 133.7-172.0 28.6 20.1 17.4 86 99 A V E -F 134 0B 54 48,-1.6 48,-3.1 -2,-0.3 2,-0.1 -0.883 41.0 -99.8-124.8 152.4 28.2 23.8 17.2 87 100 A D E > -F 133 0B 25 -2,-0.3 4,-3.0 46,-0.2 46,-0.2 -0.350 24.8-127.8 -56.3 146.6 25.6 26.2 15.7 88 101 A L H > S+ 0 0 0 44,-1.7 4,-3.1 41,-1.4 5,-0.2 0.918 119.0 57.0 -59.1 -42.4 26.5 27.8 12.4 89 102 A A H > S+ 0 0 11 40,-0.6 4,-1.7 43,-0.3 -1,-0.2 0.906 108.4 45.4 -50.1 -46.4 25.6 30.9 14.4 90 103 A A H > S+ 0 0 6 39,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.927 113.0 50.2 -67.1 -47.3 28.3 29.9 17.0 91 104 A X H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 5,-0.4 0.962 109.0 50.5 -48.6 -59.6 30.9 29.1 14.2 92 105 A L H X S+ 0 0 13 -4,-3.1 4,-2.3 1,-0.3 3,-0.3 0.896 111.3 48.0 -55.0 -47.8 30.5 32.4 12.4 93 106 A R H < S+ 0 0 175 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.888 122.7 34.8 -53.0 -44.0 30.9 34.4 15.6 94 107 A R H < S+ 0 0 164 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.570 130.5 28.8 -95.5 -11.0 34.0 32.4 16.6 95 108 A Q H < S- 0 0 108 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.448 92.1-137.3-129.1 -8.9 35.5 31.7 13.2 96 109 A G < - 0 0 27 -4,-2.3 -1,-0.3 -5,-0.4 84,-0.1 -0.378 63.4 -8.7 73.9-161.4 34.5 34.6 10.9 97 110 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 81,-0.2 -0.274 77.9-116.0 -63.8 155.0 33.4 33.9 7.3 98 111 A L - 0 0 6 79,-3.0 5,-0.0 78,-0.1 -2,-0.0 -0.718 29.5 -98.7 -91.6 143.1 33.8 30.3 6.0 99 112 A A >> - 0 0 60 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.374 46.2-115.3 -47.3 131.0 36.0 29.3 3.1 100 113 A P H 3> S+ 0 0 22 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.868 112.9 54.3 -50.5 -46.4 33.4 29.1 0.3 101 114 A P H 3> S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.882 110.8 48.4 -56.6 -35.2 33.7 25.4 -0.4 102 115 A R H <> S+ 0 0 64 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.936 110.3 50.4 -66.3 -46.9 33.0 24.8 3.3 103 116 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.945 113.4 46.6 -54.1 -49.4 30.0 27.2 3.1 104 117 A V H X S+ 0 0 1 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.955 108.6 54.2 -59.9 -52.5 28.7 25.3 0.1 105 118 A A H X S+ 0 0 25 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.914 112.9 44.4 -49.0 -47.3 29.3 21.9 1.8 106 119 A I H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.967 113.2 49.2 -64.5 -50.3 27.2 23.1 4.7 107 120 A V H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.898 107.4 57.4 -55.0 -40.3 24.4 24.7 2.5 108 121 A R H X S+ 0 0 89 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.925 107.6 45.8 -57.7 -49.2 24.2 21.5 0.4 109 122 A Q H X S+ 0 0 28 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.841 115.5 44.7 -63.9 -41.3 23.4 19.2 3.4 110 123 A I H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.904 110.5 53.6 -72.2 -40.9 20.8 21.5 5.0 111 124 A G H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 122,-0.3 0.884 107.5 54.4 -58.2 -36.1 19.1 22.2 1.6 112 125 A S H X S+ 0 0 40 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.942 108.7 46.3 -61.3 -49.4 18.9 18.4 1.3 113 126 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.924 113.2 50.5 -58.7 -45.5 17.2 18.2 4.7 114 127 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.935 108.1 51.3 -60.1 -49.1 14.8 21.0 3.7 115 128 A D H X S+ 0 0 51 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.915 110.6 49.7 -52.7 -47.2 13.9 19.4 0.4 116 129 A A H X S+ 0 0 24 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.902 109.6 51.6 -60.0 -42.4 13.1 16.1 2.2 117 130 A A H ><>S+ 0 0 2 -4,-2.2 5,-1.9 1,-0.2 3,-1.3 0.982 110.2 47.6 -59.7 -57.8 10.9 18.0 4.7 118 131 A H H ><5S+ 0 0 98 -4,-2.6 3,-1.6 1,-0.3 5,-0.3 0.876 108.2 57.3 -45.6 -45.8 8.9 19.7 1.9 119 132 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.760 106.0 47.4 -65.3 -27.4 8.5 16.4 0.1 120 133 A A T <<5S- 0 0 45 -3,-1.3 -1,-0.3 -4,-1.3 -2,-0.2 0.346 124.1-102.5 -95.2 5.5 6.8 14.7 3.1 121 134 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.848 93.5 111.5 80.6 35.8 4.5 17.7 3.6 122 135 A A < - 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0 0 54 1,-0.1 3,-1.1 -23,-0.0 4,-0.2 -0.969 360.0-134.2-131.4 157.1 33.9 -13.8 3.3 397 179 B L T 3 S+ 0 0 28 -2,-0.4 3,-0.3 1,-0.3 44,-0.1 0.451 87.9 88.0 -74.2 -11.4 37.6 -14.4 3.1 398 180 B Y T 3 S+ 0 0 85 1,-0.2 -1,-0.3 31,-0.0 32,-0.2 0.686 101.8 31.1 -60.6 -19.2 38.2 -11.9 0.3 399 181 B Y S < S+ 0 0 13 -3,-1.1 19,-0.2 29,-0.1 -1,-0.2 0.460 88.5 117.3-124.0 -4.9 38.7 -9.2 3.0 400 182 B X - 0 0 31 -3,-0.3 -28,-0.1 -4,-0.2 12,-0.0 -0.391 61.8-119.5 -73.0 145.4 40.1 -10.9 6.1 401 183 B A > - 0 0 2 -2,-0.1 3,-2.2 1,-0.1 41,-0.1 -0.502 24.3-112.5 -82.8 149.2 43.6 -10.0 7.4 402 184 B P G > S+ 0 0 20 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.916 117.2 55.8 -45.8 -51.8 46.3 -12.7 7.7 403 185 B E G > S+ 0 0 57 1,-0.3 3,-1.5 67,-0.2 8,-0.0 0.661 88.2 82.9 -57.2 -15.2 46.3 -12.6 11.5 404 186 B R G < S+ 0 0 78 -3,-2.2 -1,-0.3 1,-0.3 -4,-0.0 0.128 81.2 61.8 -83.5 22.2 42.6 -13.4 11.3 405 187 B F G < S+ 0 0 64 -3,-0.9 -1,-0.3 -5,-0.0 2,-0.2 0.367 98.4 60.5-123.2 0.4 43.2 -17.1 10.9 406 188 B S < 0 0 103 -3,-1.5 0, 0.0 1,-0.2 0, 0.0 -0.722 360.0 360.0-121.0 170.8 45.0 -17.8 14.2 407 189 B E 0 0 242 -2,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.882 360.0 360.0 -74.0 360.0 44.1 -17.4 17.9 408 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 409 194 B Y 0 0 207 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -90.2 42.1 -4.5 15.9 410 195 B R > + 0 0 51 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.022 360.0 107.3 -98.9 23.0 43.3 -3.3 12.5 411 196 B A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.1 3,-0.2 0.981 78.4 47.1 -60.8 -57.7 41.2 -6.1 11.0 412 197 B D H > S+ 0 0 3 -42,-0.3 4,-3.2 -3,-0.3 5,-0.3 0.905 108.7 53.9 -49.5 -52.7 38.6 -3.6 9.7 413 198 B I H > S+ 0 0 3 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.895 110.3 48.5 -51.5 -46.9 41.3 -1.2 8.2 414 199 B Y H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.2 3,-0.4 0.970 113.1 46.5 -54.4 -58.5 42.7 -4.2 6.3 415 200 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.896 112.6 49.9 -52.1 -43.5 39.2 -5.2 5.0 416 201 B L H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.817 108.1 53.2 -73.8 -27.4 38.4 -1.7 4.1 417 202 B T H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.4 -1,-0.3 0.906 107.5 52.3 -69.6 -41.1 41.6 -1.3 2.2 418 203 B C H X S+ 0 0 0 -4,-2.5 4,-2.1 -19,-0.2 -2,-0.2 0.902 109.3 49.8 -55.2 -43.0 40.6 -4.5 0.3 419 204 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.908 106.4 53.8 -67.8 -43.9 37.3 -3.0 -0.5 420 205 B L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.865 108.1 52.7 -55.0 -39.1 38.9 0.2 -1.8 421 206 B Y H X S+ 0 0 10 -4,-1.8 4,-2.8 1,-0.2 5,-0.5 0.925 109.2 47.7 -65.8 -47.3 41.0 -1.9 -4.1 422 207 B E H X S+ 0 0 20 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.862 109.1 55.4 -61.4 -35.6 37.9 -3.7 -5.4 423 208 B C H < S+ 0 0 0 -4,-2.6 -79,-3.5 1,-0.2 -1,-0.2 0.889 115.3 37.7 -63.6 -37.3 36.3 -0.3 -6.0 424 209 B L H < S+ 0 0 1 -4,-1.7 -2,-0.2 -81,-0.2 -1,-0.2 0.922 129.9 26.6 -82.7 -45.8 39.1 0.9 -8.1 425 210 B T H < S- 0 0 9 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.860 95.1-124.3 -87.7 -37.7 40.1 -2.2 -10.0 426 211 B G S < S+ 0 0 30 -4,-1.6 -4,-0.2 -5,-0.5 -3,-0.1 0.128 84.1 82.8 104.1 -17.9 36.8 -4.1 -10.1 427 212 B S S S- 0 0 40 -6,-0.3 -1,-0.4 2,-0.0 -2,-0.3 -0.834 83.4-110.0-113.3 155.7 38.5 -7.2 -8.5 428 213 B P - 0 0 17 0, 0.0 -9,-0.1 0, 0.0 3,-0.1 -0.483 42.8-102.7 -73.3 159.6 39.3 -8.1 -4.9 429 214 B P S S+ 0 0 9 0, 0.0 2,-0.4 0, 0.0 -30,-0.1 0.764 108.0 27.0 -53.8 -32.0 43.0 -8.1 -4.1 430 215 B Y S S- 0 0 18 -32,-0.2 2,-0.3 2,-0.1 7,-0.1 -0.988 74.4-163.4-140.5 125.2 43.2 -11.9 -4.3 431 216 B Q + 0 0 128 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.0 -0.851 40.0 71.3-117.2 147.3 41.0 -14.2 -6.4 432 217 B G S S- 0 0 36 -2,-0.3 -2,-0.1 4,-0.0 5,-0.0 -0.738 82.8 -37.4 138.9 174.7 40.3 -18.0 -6.2 433 218 B D S > S- 0 0 108 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.098 70.1 -90.0 -58.8 164.4 38.5 -20.4 -3.9 434 219 B Q H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.823 124.5 50.1 -41.0 -48.6 38.5 -20.1 -0.1 435 220 B L H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.967 113.8 41.6 -62.8 -54.7 41.7 -22.2 0.3 436 221 B S H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.840 115.7 50.7 -64.1 -35.8 43.9 -20.4 -2.2 437 222 B V H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.867 105.1 56.1 -74.6 -31.4 42.7 -17.0 -1.2 438 223 B X H X S+ 0 0 71 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.903 110.6 45.4 -65.8 -39.8 43.4 -17.7 2.5 439 224 B G H X>S+ 0 0 38 -4,-1.8 4,-3.5 1,-0.2 5,-0.6 0.855 107.1 60.5 -64.8 -34.9 47.0 -18.5 1.6 440 225 B A H <5S+ 0 0 19 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.874 102.1 50.6 -65.8 -36.9 47.1 -15.4 -0.6 441 226 B H H <5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.774 117.2 42.0 -68.9 -26.1 46.4 -13.1 2.3 442 227 B I H <5S+ 0 0 74 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.1 0.926 135.6 8.5 -85.2 -50.4 49.2 -14.7 4.3 443 228 B N T <5S+ 0 0 146 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.1 0.875 93.7 105.2 -96.4 -48.6 51.9 -15.1 1.5 444 229 B Q S - 0 0 29 1,-0.1 3,-1.5 16,-0.1 4,-0.1 -0.899 10.6-157.8-119.9 95.9 49.5 -3.0 -7.3 449 234 B P G >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.4 0.773 90.7 60.4 -47.4 -38.0 46.2 -1.4 -8.5 450 235 B S G 34 S+ 0 0 30 1,-0.3 6,-0.2 2,-0.2 8,-0.1 0.905 97.2 58.8 -53.1 -46.7 48.0 0.6 -11.2 451 236 B T G <4 S+ 0 0 116 -3,-1.5 -1,-0.3 1,-0.2 7,-0.0 0.262 108.9 48.5 -71.9 13.5 49.3 -2.5 -12.9 452 237 B V T <4 S+ 0 0 80 -3,-1.4 -1,-0.2 1,-0.4 -2,-0.2 0.742 112.5 21.7-120.6 -50.8 45.7 -3.7 -13.4 453 238 B R S >< S- 0 0 114 -4,-1.4 3,-0.9 3,-0.1 -1,-0.4 -0.971 73.3-115.2-131.7 139.7 43.6 -0.9 -14.9 454 239 B P T 3 S+ 0 0 115 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 -0.188 94.3 31.5 -63.7 162.2 44.3 2.2 -16.9 455 240 B G T 3 S+ 0 0 78 1,-0.2 -5,-0.1 -5,-0.0 0, 0.0 0.507 83.7 126.1 68.1 6.3 43.5 5.7 -15.5 456 241 B I < - 0 0 16 -3,-0.9 -1,-0.2 -6,-0.2 -4,-0.1 -0.887 64.0-118.8 -99.5 115.3 44.2 4.7 -11.9 457 242 B P > - 0 0 34 0, 0.0 3,-0.8 0, 0.0 4,-0.2 -0.044 11.5-132.4 -48.7 146.9 46.8 7.0 -10.2 458 243 B V T >> S+ 0 0 106 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.643 96.5 78.0 -84.2 -17.0 50.0 5.3 -8.9 459 244 B A H 3> S+ 0 0 55 30,-0.3 4,-0.9 1,-0.2 3,-0.2 0.675 83.8 70.3 -64.9 -15.2 49.9 7.0 -5.5 460 245 B F H <> S+ 0 0 0 -3,-0.8 4,-2.6 29,-0.2 -1,-0.2 0.810 82.2 69.4 -71.7 -31.3 47.2 4.3 -4.7 461 246 B D H <> S+ 0 0 36 -3,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.887 100.3 46.6 -58.7 -41.1 49.8 1.4 -4.7 462 247 B A H X S+ 0 0 70 -4,-0.5 4,-2.7 -3,-0.2 -1,-0.2 0.880 110.9 53.5 -66.6 -38.9 51.4 2.7 -1.5 463 248 B V H X S+ 0 0 8 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.934 112.1 43.4 -62.3 -47.9 48.1 3.2 0.2 464 249 B I H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.971 112.5 53.8 -60.9 -53.1 47.0 -0.4 -0.6 465 250 B A H < S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.5 39.7 -45.0 -48.7 50.4 -1.7 0.5 466 251 B R H < S+ 0 0 137 -4,-2.7 10,-0.4 2,-0.2 -1,-0.2 0.773 116.8 49.3 -77.8 -28.9 50.1 0.1 3.9 467 252 B G H < S+ 0 0 0 -4,-2.3 -50,-0.2 -5,-0.2 -2,-0.2 0.849 121.8 34.0 -76.7 -36.6 46.4 -0.7 4.3 468 253 B X S < S+ 0 0 0 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.304 86.7 155.7 -96.7 5.5 46.9 -4.4 3.5 469 254 B A - 0 0 10 -5,-0.3 6,-0.2 -4,-0.2 -3,-0.1 -0.015 48.1-131.8 -40.0 128.6 50.4 -4.4 5.1 470 255 B K S S+ 0 0 65 1,-0.1 -67,-0.2 -5,-0.1 -1,-0.1 0.825 96.9 57.6 -60.7 -33.4 51.1 -8.0 6.2 471 256 B N S >> S- 0 0 82 1,-0.1 3,-2.5 -69,-0.1 4,-0.5 -0.894 80.7-145.5-100.0 118.4 52.2 -6.8 9.6 472 257 B P G >4 S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.811 95.9 68.3 -53.4 -34.7 49.4 -4.9 11.4 473 258 B E G 34 S+ 0 0 140 1,-0.3 -3,-0.1 -3,-0.1 4,-0.0 0.739 99.3 51.9 -55.6 -25.4 51.9 -2.6 13.1 474 259 B D G <4 S+ 0 0 98 -3,-2.5 -1,-0.3 -5,-0.1 -5,-0.1 0.660 94.9 96.0 -84.8 -16.7 52.7 -1.2 9.6 475 260 B R S << S- 0 0 5 -3,-1.7 -8,-0.2 -4,-0.5 -9,-0.1 -0.173 90.1 -80.8 -73.2 163.9 49.0 -0.5 8.8 476 261 B Y - 0 0 19 -10,-0.4 -1,-0.1 1,-0.1 -63,-0.1 -0.362 33.9-137.8 -56.8 141.7 47.0 2.7 9.2 477 262 B V S S+ 0 0 88 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.840 84.0 20.2 -73.7 -35.5 45.9 3.3 12.8 478 263 B T S > S- 0 0 45 1,-0.1 4,-1.5 -65,-0.1 3,-0.2 -0.939 72.7-122.8-133.8 154.6 42.5 4.5 11.8 479 264 B C H > S+ 0 0 0 -2,-0.3 4,-3.4 -122,-0.3 -121,-0.1 0.787 115.3 65.3 -63.3 -23.9 40.2 4.2 8.8 480 265 B G H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 99.4 48.0 -62.0 -47.3 40.4 8.0 8.9 481 266 B D H > S+ 0 0 84 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 113.2 49.6 -63.2 -36.4 44.1 7.9 8.2 482 267 B L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.953 107.7 53.0 -63.0 -55.8 43.3 5.5 5.3 483 268 B S H X S+ 0 0 9 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.869 109.2 49.8 -45.7 -46.4 40.6 7.8 4.0 484 269 B A H X S+ 0 0 59 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.955 108.3 51.4 -64.0 -51.3 43.0 10.7 3.9 485 270 B A H X S+ 0 0 22 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.827 110.0 51.7 -53.8 -35.8 45.7 8.8 2.1 486 271 B A H >X S+ 0 0 0 -4,-2.1 3,-0.7 2,-0.2 4,-0.6 0.938 110.5 46.0 -68.0 -47.2 43.1 7.8 -0.5 487 272 B H H >< S+ 0 0 131 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.855 109.9 57.0 -60.8 -33.6 42.0 11.4 -1.1 488 273 B A H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.749 101.4 56.6 -69.4 -24.6 45.7 12.3 -1.2 489 274 B A H << S+ 0 0 6 -4,-0.9 2,-0.5 -3,-0.7 -30,-0.3 0.621 82.7 105.0 -82.0 -14.0 46.1 9.8 -4.1 490 275 B L << 0 0 47 -3,-0.8 -34,-0.0 -4,-0.6 -3,-0.0 -0.577 360.0 360.0 -73.0 118.7 43.5 11.5 -6.2 491 276 B A 0 0 138 -2,-0.5 -1,-0.2 0, 0.0 -4,-0.0 0.655 360.0 360.0 -72.9 360.0 45.0 13.6 -9.0