==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 23-MAY-05 2CT8 . COMPND 2 MOLECULE: RNA (74-MER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.NAKANISHI,Y.OGISO,T.NAKAMA,S.FUKAI,O.NUREKI,RIKEN . 930 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 3.9 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 2 0.2 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 . 57 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 4.1 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 5 2 3 0 3 2 10 1 0 0 1 1 2 0 3 3 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 4 0 0 0 2 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 . 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 0 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 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 90 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 49.7 23.8 -8.7 81.7 2 2 A T - 0 0 62 1,-0.2 4,-0.1 4,-0.1 214,-0.1 -0.886 360.0 -58.2-173.5-158.6 21.5 -11.7 82.7 3 3 A L S S+ 0 0 169 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.991 117.2 44.0 -70.8 -75.8 21.3 -15.4 83.0 4 4 A M S S- 0 0 130 1,-0.1 -1,-0.1 -3,-0.1 39,-0.0 -0.519 107.1 -97.4 -70.9 134.5 22.2 -16.6 79.5 5 5 A K - 0 0 116 -2,-0.2 39,-2.7 37,-0.1 2,-0.3 -0.270 54.1-170.5 -55.2 132.0 25.1 -14.6 78.0 6 6 A K E -a 44 0A 12 37,-0.2 2,-0.4 -4,-0.1 39,-0.2 -0.868 25.4-158.1-131.0 160.9 23.8 -11.8 75.9 7 7 A F E -a 45 0A 13 37,-1.8 39,-2.5 -2,-0.3 2,-0.6 -0.982 8.8-169.4-138.5 123.3 24.9 -9.2 73.4 8 8 A Y E +a 46 0A 0 -2,-0.4 214,-1.9 211,-0.2 213,-1.3 -0.943 12.6 173.7-119.2 112.6 22.8 -6.1 72.7 9 9 A V E -ab 47 222A 0 37,-2.6 39,-2.6 -2,-0.6 2,-0.3 -0.905 6.8-171.9-120.0 148.0 23.9 -3.9 69.7 10 10 A T E -ab 48 223A 0 212,-2.0 214,-2.9 -2,-0.3 39,-0.2 -0.965 13.1-154.7-136.6 151.1 22.2 -0.9 68.2 11 11 A T E - 0 0 1 37,-1.6 214,-0.1 -2,-0.3 2,-0.1 -0.624 47.0 -83.0-109.8 174.9 22.7 1.3 65.1 12 12 A P E - 0 0 15 0, 0.0 2,-0.8 0, 0.0 38,-0.6 -0.381 43.1-109.5 -75.5 159.7 21.5 4.9 65.1 13 13 A I E -a 50 0A 16 36,-0.2 38,-0.3 38,-0.1 2,-0.1 -0.862 44.2-132.1 -93.7 117.2 17.8 5.5 64.3 14 14 A Y E -a 51 0A 15 36,-2.0 38,-1.8 -2,-0.8 2,-0.1 -0.389 10.7-109.3 -75.8 144.6 17.9 7.1 60.9 15 15 A Y E -a 52 0A 90 36,-0.2 3,-0.3 -2,-0.1 38,-0.2 -0.356 17.4-154.7 -68.1 147.7 16.1 10.3 59.7 16 16 A V S S+ 0 0 2 36,-0.7 60,-0.1 38,-0.2 -1,-0.1 0.251 70.7 98.1-110.5 12.3 13.3 9.8 57.2 17 17 A N S S+ 0 0 29 2,-0.1 2,-0.3 59,-0.1 -1,-0.2 0.522 94.3 27.4 -76.7 -2.8 13.4 13.2 55.5 18 18 A D S S- 0 0 50 -3,-0.3 0, 0.0 58,-0.0 0, 0.0 -0.922 93.0 -78.4-150.2 176.3 15.3 11.4 52.8 19 19 A V - 0 0 21 -2,-0.3 729,-0.1 1,-0.1 -2,-0.1 -0.518 52.7 -99.5 -81.9 144.7 16.1 8.2 50.9 20 20 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.150 47.8-178.1 -56.0 155.9 18.4 5.5 52.4 21 21 A H >> - 0 0 52 253,-0.1 4,-1.9 254,-0.1 3,-1.5 -0.973 44.3 -80.3-154.5 166.9 22.0 5.5 51.2 22 22 A L H 3> S+ 0 0 3 251,-2.1 4,-1.8 -2,-0.3 5,-0.1 0.816 123.7 57.0 -35.8 -48.6 25.3 3.7 51.4 23 23 A G H 3> S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.890 107.3 45.9 -55.6 -43.7 26.1 5.6 54.7 24 24 A H H <> S+ 0 0 35 -3,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.882 114.4 49.4 -67.2 -37.0 23.0 4.4 56.4 25 25 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.722 104.0 62.4 -73.9 -22.3 23.6 0.9 55.1 26 26 A Y H X S+ 0 0 3 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.961 105.8 41.4 -68.0 -52.6 27.2 1.1 56.3 27 27 A T H X S+ 0 0 9 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.896 117.9 50.2 -61.8 -38.5 26.4 1.5 60.0 28 28 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.898 111.1 46.4 -69.1 -40.6 23.7 -1.2 59.6 29 29 A I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.959 109.6 54.9 -65.8 -46.4 25.9 -3.7 57.9 30 30 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.872 112.9 44.2 -51.4 -38.7 28.7 -3.1 60.5 31 31 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.887 110.2 53.4 -74.9 -40.3 26.0 -4.0 63.1 32 32 A D H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.967 110.1 47.9 -59.5 -51.1 24.6 -7.0 61.3 33 33 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.4 0.960 111.1 49.8 -55.8 -53.1 28.0 -8.5 61.0 34 34 A I H X S+ 0 0 1 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.875 111.4 49.9 -53.5 -39.9 28.9 -7.9 64.6 35 35 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.862 107.5 53.6 -68.1 -35.5 25.5 -9.5 65.7 36 36 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 -3,-0.4 -1,-0.2 0.852 101.4 62.0 -67.5 -32.7 26.2 -12.5 63.5 37 37 A Y H X S+ 0 0 2 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.954 113.0 33.2 -58.4 -50.9 29.5 -13.0 65.2 38 38 A Y H <>S+ 0 0 25 -4,-1.4 5,-2.1 2,-0.2 -2,-0.2 0.876 112.6 59.6 -76.0 -35.8 27.8 -13.6 68.6 39 39 A R H ><5S+ 0 0 86 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.943 105.1 51.7 -56.6 -44.1 24.7 -15.3 67.3 40 40 A L H 3<5S+ 0 0 17 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.865 106.1 55.2 -58.9 -34.8 27.0 -17.9 65.8 41 41 A R T 3<5S- 0 0 17 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.278 123.7-107.5 -82.2 10.1 28.7 -18.2 69.3 42 42 A D T < 5 + 0 0 89 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.768 65.5 155.5 69.5 30.8 25.2 -18.9 70.8 43 43 A Y < - 0 0 65 -5,-2.1 2,-1.4 1,-0.1 -37,-0.2 -0.544 55.2-111.3 -85.2 152.2 24.7 -15.6 72.5 44 44 A D E -a 6 0A 37 -39,-2.7 -37,-1.8 -2,-0.2 2,-0.3 -0.720 51.7-165.2 -83.0 93.2 21.3 -14.2 73.3 45 45 A V E -a 7 0A 9 -2,-1.4 2,-0.5 -39,-0.2 -37,-0.2 -0.640 24.9-172.1 -93.8 141.8 21.5 -11.3 70.7 46 46 A F E -a 8 0A 12 -39,-2.5 -37,-2.6 -2,-0.3 2,-0.6 -0.987 6.5-173.7-127.4 118.1 19.4 -8.2 70.3 47 47 A F E -a 9 0A 0 -2,-0.5 45,-3.0 -39,-0.2 46,-1.4 -0.946 11.9-168.7-116.3 110.6 20.1 -6.2 67.2 48 48 A L E +ac 10 93A 0 -39,-2.6 -37,-1.6 -2,-0.6 2,-0.3 -0.763 17.4 148.1-105.0 148.0 18.2 -2.9 67.1 49 49 A T E + c 0 94A 0 44,-1.6 46,-1.6 -2,-0.3 2,-0.3 -0.964 10.7 130.0-164.9 156.9 17.6 -0.3 64.4 50 50 A G E -ac 13 95A 0 -38,-0.6 -36,-2.0 -2,-0.3 2,-0.4 -0.933 45.2 -61.7-178.1-155.6 14.9 2.1 63.4 51 51 A T E -ac 14 96A 0 44,-2.1 46,-2.0 -38,-0.3 2,-1.3 -0.961 19.5-140.5-131.3 139.5 14.0 5.6 62.4 52 52 A D E +a 15 0A 5 -38,-1.8 -36,-0.7 -2,-0.4 44,-0.1 -0.742 35.3 169.0 -91.7 88.1 14.1 9.1 64.0 53 53 A E + 0 0 0 -2,-1.3 -1,-0.2 -38,-0.2 -38,-0.0 0.701 42.7 74.4 -81.6 -23.3 10.8 10.4 62.7 54 54 A H + 0 0 15 144,-0.1 4,-0.3 19,-0.0 -38,-0.2 0.107 55.4 107.8 -75.2-162.7 10.0 13.6 64.6 55 55 A G S S- 0 0 12 129,-0.8 129,-0.1 2,-0.1 4,-0.1 -0.375 70.1 -97.1 117.6 163.4 11.7 17.0 64.0 56 56 A L S >> S+ 0 0 72 2,-0.2 4,-2.0 -2,-0.1 3,-1.5 0.913 116.9 54.5 -82.2 -51.0 11.2 20.5 62.6 57 57 A K H >>>S+ 0 0 95 1,-0.3 4,-2.5 2,-0.2 3,-1.2 0.956 107.1 50.2 -44.2 -65.5 12.8 19.8 59.2 58 58 A I H 345S+ 0 0 5 -4,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.678 108.8 55.9 -51.0 -18.4 10.5 16.8 58.6 59 59 A Q H <>5S+ 0 0 51 -3,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.872 112.3 39.7 -82.4 -39.6 7.6 19.1 59.5 60 60 A K H XX5S+ 0 0 99 -4,-2.0 4,-3.1 -3,-1.2 3,-1.2 0.970 116.1 47.9 -72.1 -57.2 8.6 21.7 56.9 61 61 A K H 3X5S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.796 110.1 58.4 -54.2 -24.9 9.5 19.2 54.1 62 62 A A H 34XS+ 0 0 1 -5,-0.5 5,-2.2 -4,-0.3 -1,-0.3 0.865 110.1 40.1 -71.6 -37.3 6.2 17.7 55.2 63 63 A E H X<5S+ 0 0 151 -3,-1.2 3,-2.0 -4,-1.1 -2,-0.2 0.857 110.3 57.7 -78.8 -39.7 4.4 20.9 54.3 64 64 A E H 3<5S+ 0 0 140 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.965 109.2 45.2 -53.7 -55.3 6.4 21.6 51.2 65 65 A L T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.176 117.0-127.6 -74.5 21.1 5.3 18.3 49.8 66 66 A G T < 5 + 0 0 58 -3,-2.0 2,-0.3 1,-0.1 -3,-0.2 0.818 65.1 115.4 27.7 73.4 1.9 19.5 51.1 67 67 A I S - 0 0 60 -2,-0.3 4,-2.1 1,-0.1 5,-0.3 -0.480 34.5-130.9 -70.3 131.5 0.5 15.0 56.7 69 69 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.867 108.3 60.6 -50.0 -35.2 3.7 14.5 58.7 70 70 A K H > S+ 0 0 80 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.978 108.0 41.0 -54.6 -61.2 2.3 11.0 59.5 71 71 A E H > S+ 0 0 107 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.949 111.2 53.7 -53.6 -58.8 2.3 10.0 55.9 72 72 A L H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.889 117.2 42.4 -43.6 -42.2 5.6 11.5 54.9 73 73 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.876 112.3 49.2 -75.4 -42.2 7.0 9.5 57.8 74 74 A D H X S+ 0 0 46 -4,-3.2 4,-1.0 -5,-0.2 -2,-0.2 0.896 111.4 55.0 -64.5 -35.9 5.1 6.2 57.3 75 75 A R H X S+ 0 0 83 -4,-3.3 4,-0.7 -5,-0.2 3,-0.3 0.956 115.9 32.0 -61.9 -55.6 6.2 6.4 53.6 76 76 A N H X S+ 0 0 8 -4,-1.8 4,-1.5 -5,-0.3 3,-0.4 0.808 107.8 67.5 -76.9 -28.3 9.9 6.7 54.2 77 77 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.860 102.3 51.9 -58.4 -29.9 10.1 4.6 57.3 78 78 A E H X S+ 0 0 61 -4,-1.0 4,-2.7 -3,-0.3 -1,-0.3 0.821 96.2 66.6 -76.1 -28.9 9.1 1.8 55.0 79 79 A R H X S+ 0 0 18 -4,-0.7 4,-2.0 -3,-0.4 -1,-0.2 0.935 104.4 47.0 -55.2 -45.2 12.0 2.6 52.6 80 80 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.928 109.3 50.6 -63.9 -47.6 14.3 1.5 55.4 81 81 A K H X S+ 0 0 58 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.922 112.1 49.8 -58.0 -41.8 12.5 -1.7 56.3 82 82 A K H X S+ 0 0 40 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.886 109.6 50.4 -64.7 -39.3 12.6 -2.6 52.6 83 83 A L H X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.2 5,-0.2 0.952 109.2 50.3 -63.5 -49.9 16.3 -1.9 52.2 84 84 A W H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.2 0.880 111.5 50.4 -55.6 -38.9 17.2 -4.0 55.3 85 85 A E H ><5S+ 0 0 132 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.928 112.0 46.2 -64.6 -45.9 15.1 -6.8 53.8 86 86 A F H 3<5S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.907 113.2 49.5 -62.6 -43.1 16.9 -6.5 50.5 87 87 A L T 3<5S- 0 0 1 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.438 112.0-124.5 -76.8 2.0 20.2 -6.4 52.2 88 88 A K T < 5 + 0 0 107 -3,-1.1 2,-0.6 -4,-0.2 -3,-0.2 0.948 43.7 175.0 50.6 58.7 19.3 -9.5 54.2 89 89 A I < - 0 0 13 -5,-2.3 2,-1.2 -6,-0.1 -1,-0.2 -0.834 23.8-151.3 -93.5 122.5 19.9 -7.8 57.6 90 90 A E + 0 0 80 -2,-0.6 2,-0.2 2,-0.0 -43,-0.0 -0.570 34.4 157.4 -98.2 75.1 18.9 -10.1 60.5 91 91 A Y - 0 0 65 -2,-1.2 -43,-0.2 1,-0.1 3,-0.1 -0.491 42.7-133.4 -91.2 165.9 18.0 -7.5 63.1 92 92 A T S S+ 0 0 63 -45,-3.0 2,-0.3 1,-0.3 -44,-0.2 0.886 77.9 3.6 -88.1 -42.8 15.7 -8.1 66.1 93 93 A K E -c 48 0A 63 -46,-1.4 -44,-1.6 2,-0.0 2,-0.6 -0.998 50.5-146.5-149.2 151.6 13.4 -5.1 66.0 94 94 A F E -c 49 0A 23 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.3 -0.934 25.7-169.9-118.1 105.6 12.6 -1.9 64.0 95 95 A I E -c 50 0A 7 -46,-1.6 -44,-2.1 -2,-0.6 2,-0.4 -0.749 8.9-161.5-101.2 146.8 11.5 0.9 66.2 96 96 A R E > -c 51 0A 35 -2,-0.3 3,-2.9 -46,-0.2 6,-0.2 -0.978 26.6-128.5-122.2 135.8 10.1 4.3 65.0 97 97 A T T 3 S+ 0 0 1 -46,-2.0 -45,-0.1 -2,-0.4 -2,-0.0 0.372 109.8 62.0 -67.1 9.9 10.0 7.3 67.3 98 98 A T T 3 S+ 0 0 22 -47,-0.2 -1,-0.3 4,-0.1 -46,-0.1 0.385 71.1 118.4-110.5 -3.7 6.3 7.6 66.5 99 99 A D S X> S- 0 0 45 -3,-2.9 4,-1.8 1,-0.1 3,-0.7 -0.478 70.8-131.3 -62.3 130.6 5.5 4.2 68.0 100 100 A P H 3> S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.948 105.5 58.5 -47.6 -56.3 3.1 5.0 70.8 101 101 A Y H 3> S+ 0 0 144 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.832 107.9 48.9 -41.0 -43.2 5.1 2.9 73.3 102 102 A H H <> S+ 0 0 1 -3,-0.7 4,-2.5 -6,-0.2 3,-0.4 0.983 108.6 48.2 -65.9 -60.3 8.1 5.0 72.6 103 103 A V H X S+ 0 0 34 -4,-1.8 4,-1.7 1,-0.3 -2,-0.2 0.830 111.3 52.7 -52.2 -36.4 6.5 8.5 73.0 104 104 A K H X S+ 0 0 114 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.3 0.921 110.0 49.2 -65.9 -40.5 4.9 7.4 76.3 105 105 A F H X S+ 0 0 51 -4,-1.6 4,-2.7 -3,-0.4 5,-0.3 0.898 108.0 53.1 -65.0 -41.9 8.4 6.3 77.5 106 106 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.875 111.6 46.1 -62.1 -37.5 10.0 9.6 76.5 107 107 A Q H X S+ 0 0 46 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.930 112.5 48.3 -71.4 -46.6 7.5 11.5 78.5 108 108 A K H X S+ 0 0 154 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.949 116.6 44.1 -58.4 -48.9 7.6 9.4 81.6 109 109 A V H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.905 110.5 56.9 -62.8 -39.7 11.4 9.6 81.5 110 110 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.902 110.0 43.2 -57.8 -45.8 11.2 13.3 80.7 111 111 A E H X S+ 0 0 68 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.901 106.6 61.0 -67.8 -42.4 9.2 14.0 83.9 112 112 A E H X S+ 0 0 62 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.877 106.9 46.0 -53.9 -40.7 11.3 11.7 86.1 113 113 A C H <>S+ 0 0 0 -4,-1.7 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365 396 A V T < 5 + 0 0 4 -3,-1.5 2,-2.6 -4,-0.3 3,-0.2 0.596 66.5 150.9 73.7 14.1 35.1 -4.5 66.6 366 397 A N >< + 0 0 47 -5,-2.7 4,-2.2 1,-0.2 5,-0.2 -0.431 11.3 166.9 -75.8 72.8 38.4 -4.2 64.7 367 398 A F H > S+ 0 0 2 -2,-2.6 4,-2.9 1,-0.2 5,-0.3 0.912 70.5 57.4 -55.2 -44.4 36.9 -5.5 61.5 368 399 A Y H > S+ 0 0 67 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 111.7 39.3 -51.2 -57.9 39.9 -4.4 59.5 369 400 A K H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.818 114.3 55.2 -65.0 -32.5 42.4 -6.4 61.6 370 401 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.901 108.0 47.5 -69.3 -39.9 40.0 -9.4 61.8 371 402 A I H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.848 106.3 60.2 -69.9 -30.2 39.6 -9.6 58.0 372 403 A E H X S+ 0 0 55 -4,-1.7 4,-3.3 -5,-0.3 -1,-0.2 0.946 103.9 48.8 -60.8 -46.5 43.4 -9.4 57.7 373 404 A E H X S+ 0 0 15 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.899 108.1 54.8 -59.3 -40.1 43.7 -12.6 59.8 374 405 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.970 111.2 45.6 -55.8 -51.5 41.1 -14.1 57.5 375 406 A 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416 A V H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.918 114.9 46.4 -39.5 -59.2 48.6 -26.4 48.7 386 417 A D H < S+ 0 0 106 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.916 116.8 40.6 -52.1 -57.9 51.7 -25.2 46.9 387 418 A E H < S+ 0 0 159 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.968 120.5 42.1 -58.9 -57.1 54.3 -26.6 49.3 388 419 A K H < S- 0 0 51 -4,-2.7 5,-0.2 -5,-0.3 -1,-0.2 0.623 85.9-167.5 -66.9 -11.8 52.6 -29.9 50.0 389 420 A Q >X - 0 0 97 -4,-1.4 3,-1.2 -5,-0.5 4,-0.6 0.740 6.5-176.4 16.6 72.6 51.8 -30.2 46.2 390 421 A P H 3> + 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.638 67.8 78.9 -65.4 -22.6 49.3 -33.1 46.7 391 422 A W H 34 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.2 4,-0.1 0.703 101.3 46.0 -61.5 -16.1 48.5 -33.7 43.0 392 423 A A H <> S+ 0 0 16 -3,-1.2 4,-4.2 2,-0.2 -1,-0.2 0.772 103.5 59.1 -93.2 -36.5 51.9 -35.4 43.1 393 424 A L H <>S+ 0 0 9 -4,-0.6 5,-1.5 1,-0.3 -2,-0.2 0.882 109.3 45.9 -60.9 -36.7 51.2 -37.4 46.3 394 425 A N T <5S+ 0 0 68 -4,-2.1 3,-0.4 2,-0.2 -1,-0.3 0.764 113.4 51.1 -74.8 -24.1 48.3 -38.9 44.5 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13.9-148.3-136.3 160.9 18.7 12.7 17.4 478 11 B T E - 0 0 0 37,-1.3 214,-0.1 -2,-0.3 13,-0.0 -0.751 43.3 -88.8-116.5 167.1 17.1 14.5 20.3 479 12 B P E - 0 0 12 0, 0.0 2,-0.7 0, 0.0 38,-0.7 -0.369 43.4-109.9 -71.5 161.3 16.2 18.1 20.3 480 13 B I E -l 517 0F 15 36,-0.2 38,-0.3 38,-0.1 2,-0.1 -0.866 42.1-130.1 -93.1 119.7 19.0 20.4 21.5 481 14 B Y E -l 518 0F 15 36,-1.6 38,-1.9 -2,-0.7 2,-0.1 -0.372 13.8-109.6 -74.2 143.4 17.7 21.7 24.8 482 15 B Y E -l 519 0F 77 36,-0.2 3,-0.3 1,-0.1 38,-0.2 -0.415 20.7-154.6 -66.7 146.7 17.6 25.3 25.9 483 16 B V + 0 0 0 36,-0.9 60,-0.2 1,-0.2 -1,-0.1 0.114 66.0 107.1-112.1 22.4 20.1 26.1 28.6 484 17 B N S S+ 0 0 51 59,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.555 94.6 15.9 -73.2 -4.8 18.4 29.1 30.2 485 18 B D S S- 0 0 56 -3,-0.3 40,-0.0 54,-0.0 43,-0.0 -0.930 94.9 -75.8-155.3 177.4 17.7 26.7 33.0 486 19 B V - 0 0 57 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.496 57.6 -93.7 -81.6 148.1 18.5 23.3 34.5 487 20 B P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.338 44.5-173.8 -64.3 140.1 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4,-3.4 -6,-0.3 5,-0.2 0.932 112.1 46.9 -72.5 -48.5 28.5 24.8 14.2 570 103 B V H X S+ 0 0 31 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.929 114.1 50.5 -61.7 -39.0 28.4 28.6 14.0 571 104 B K H X S+ 0 0 106 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.951 112.2 47.5 -61.0 -47.1 30.7 28.5 11.0 572 105 B F H X S+ 0 0 35 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.939 111.8 48.8 -59.0 -51.2 28.4 25.9 9.5 573 106 B V H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.933 112.4 49.1 -56.2 -47.2 25.2 27.8 10.1 574 107 B Q H X S+ 0 0 29 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.913 112.4 48.1 -58.7 -45.1 26.8 31.0 8.7 575 108 B K H X S+ 0 0 129 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.960 114.0 44.0 -60.6 -53.6 28.0 29.1 5.6 576 109 B V H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.769 110.6 58.5 -63.8 -25.8 24.6 27.4 4.9 577 110 B F H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.922 106.7 46.2 -69.3 -45.0 22.9 30.8 5.6 578 111 B E H X S+ 0 0 65 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.931 107.3 57.4 -63.9 -45.3 24.8 32.5 2.9 579 112 B E H X S+ 0 0 79 -4,-2.3 4,-2.4 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-1,-0.2 0.218 68.9 102.3-108.4 15.5 7.7 25.7 -0.6 606 170 B Q H <> S+ 0 0 51 -3,-1.1 4,-2.2 2,-0.2 -1,-0.1 0.884 86.2 42.5 -65.6 -40.3 4.1 24.9 0.2 607 171 B D H > S+ 0 0 128 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.982 112.4 50.7 -69.2 -59.1 3.7 22.6 -2.7 608 172 B K H > S+ 0 0 116 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.857 113.1 50.1 -46.8 -38.9 6.9 20.7 -2.4 609 173 B L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.957 107.8 49.8 -66.8 -51.9 6.0 20.2 1.3 610 174 B L H X S+ 0 0 40 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.882 110.5 52.6 -55.7 -37.4 2.5 18.9 0.7 611 175 B E H X S+ 0 0 134 -4,-2.7 4,-3.2 1,-0.2 3,-0.4 0.972 104.7 54.9 -60.9 -53.5 4.0 16.5 -1.8 612 176 B L H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.840 106.9 50.8 -47.9 -43.0 6.6 15.2 0.7 613 177 B Y H < S+ 0 0 7 -4,-1.9 -1,-0.3 2,-0.2 6,-0.2 0.924 115.2 42.6 -64.3 -42.4 3.8 14.4 3.2 614 178 B E H < S+ 0 0 168 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.910 119.5 41.5 -70.1 -45.6 1.9 12.4 0.6 615 179 B K H < S+ 0 0 138 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.908 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4,-3.1 2,-0.2 5,-0.3 0.915 70.6 57.0 -57.7 -46.4 7.4 1.5 22.6 835 399 B Y H > S+ 0 0 66 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.910 112.5 38.8 -52.4 -52.5 4.0 0.9 24.2 836 400 B K H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.818 114.4 56.1 -70.8 -32.3 3.1 -2.0 22.0 837 401 B A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.945 110.4 42.8 -66.3 -47.9 6.7 -3.3 22.2 838 402 B I H X S+ 0 0 1 -4,-3.1 4,-2.4 -79,-0.2 -1,-0.2 0.827 109.0 61.1 -67.5 -29.8 6.7 -3.5 26.0 839 403 B E H X S+ 0 0 60 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.949 104.6 46.9 -61.2 -46.2 3.2 -4.9 25.8 840 404 B E H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.860 107.8 57.9 -62.4 -33.4 4.6 -7.9 23.8 841 405 B I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.936 109.5 44.0 -62.4 -43.8 7.3 -8.1 26.4 842 406 B L H X S+ 0 0 19 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.927 109.8 55.1 -65.7 -46.7 4.6 -8.5 29.1 843 407 B K H X S+ 0 0 112 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.926 111.4 44.6 -52.0 -47.9 2.6 -11.0 27.1 844 408 B F H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 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1,-0.2 -3,-0.2 0.962 122.3 40.4 -65.1 -57.2 1.2 -25.4 34.3 855 419 B K H < S- 0 0 52 -4,-2.7 5,-0.3 -5,-0.2 -1,-0.2 0.739 84.8-172.0 -65.5 -24.4 4.4 -27.5 33.8 856 420 B Q >X - 0 0 87 -4,-1.6 3,-1.4 -5,-0.4 4,-1.1 0.819 2.5-169.6 26.6 69.6 5.1 -27.2 37.5 857 421 B P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.772 75.3 74.3 -56.2 -29.3 8.6 -28.8 37.2 858 422 B W H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.891 101.8 45.4 -52.0 -37.6 9.0 -29.2 41.0 859 423 B A H <> S+ 0 0 17 -3,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.925 109.2 53.6 -69.2 -46.0 6.5 -32.0 40.6 860 424 B L H <>S+ 0 0 15 -4,-1.1 5,-2.8 -5,-0.3 -2,-0.2 0.868 110.0 51.1 -56.4 -33.6 8.5 -33.3 37.6 861 425 B N H ><5S+ 0 0 39 -4,-3.1 3,-1.1 3,-0.2 -2,-0.2 0.934 111.8 42.7 -69.4 -48.8 11.5 -33.3 39.8 862 426 B K H 3<5S+ 0 0 137 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.905 114.0 52.3 -63.7 -42.2 9.9 -35.2 42.7 863 427 B E T 3<5S- 0 0 110 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.426 112.3-129.8 -73.5 0.6 8.4 -37.7 40.2 864 428 B R T < 5 + 0 0 201 -3,-1.1 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