==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-10 3MTE . COMPND 2 MOLECULE: 16S RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.A.MACMASTER,G.L.CONN,N.ZELINSKAYA . 439 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 1 3 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 4 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 . 3 0 0 2 0 2 0 2 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 0 0 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 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 38 0, 0.0 11,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 131.1 19.1 18.1 39.8 2 2 A L E -A 11 0A 71 82,-0.4 82,-2.7 9,-0.2 2,-0.3 -0.854 360.0-179.4-102.5 129.7 19.9 14.6 38.7 3 3 A I E -AB 10 83A 10 7,-3.1 7,-2.8 -2,-0.5 2,-0.5 -0.820 27.1-114.3-119.0 166.5 23.3 13.0 39.0 4 4 A L E -A 9 0A 3 78,-1.9 2,-0.5 -2,-0.3 78,-0.5 -0.860 23.5-178.9-102.1 126.6 24.7 9.6 38.0 5 5 A K E > S-A 8 0A 117 3,-3.3 3,-1.8 -2,-0.5 2,-0.4 -0.924 75.1 -49.1-121.5 100.8 26.0 7.2 40.7 6 6 A G T 3 S- 0 0 4 -2,-0.5 60,-0.1 59,-0.5 59,-0.1 -0.591 120.4 -28.7 65.9-127.2 27.2 4.2 38.8 7 7 A T T 3 S+ 0 0 64 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.351 123.4 92.5 -98.2 3.7 24.3 3.4 36.4 8 8 A K E < -A 5 0A 156 -3,-1.8 -3,-3.3 54,-0.1 2,-0.4 -0.801 69.9-135.2-102.4 140.9 21.7 4.8 38.8 9 9 A T E +A 4 0A 51 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.784 28.8 177.4 -91.9 133.6 20.3 8.4 38.7 10 10 A V E -A 3 0A 59 -7,-2.8 -7,-3.1 -2,-0.4 2,-0.2 -0.937 30.9-103.5-133.8 157.8 20.0 10.1 42.1 11 11 A D E -A 2 0A 126 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.563 27.9-165.4 -79.6 142.4 18.9 13.6 43.3 12 12 A L - 0 0 12 -11,-2.3 2,-0.1 -2,-0.2 -2,-0.0 -0.983 11.7-145.9-128.2 120.7 21.5 16.1 44.4 13 13 A S > - 0 0 50 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.338 25.0-113.9 -79.3 162.8 20.4 19.2 46.4 14 14 A K H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 120.1 52.5 -57.0 -43.4 22.0 22.6 46.2 15 15 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 109.4 47.6 -64.0 -40.4 23.1 22.1 49.8 16 16 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 112.8 49.3 -62.8 -43.9 24.8 18.8 49.0 17 17 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.920 108.6 53.4 -61.2 -45.2 26.5 20.4 46.0 18 18 A T H X S+ 0 0 56 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.883 108.2 50.0 -57.4 -42.1 27.7 23.3 48.1 19 19 A E H < S+ 0 0 142 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.897 111.5 49.4 -66.3 -39.4 29.2 20.9 50.6 20 20 A I H >< S+ 0 0 63 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.964 113.4 43.0 -63.7 -53.0 31.0 19.0 47.9 21 21 A I H >< S+ 0 0 32 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.688 95.1 80.9 -72.6 -13.7 32.5 22.0 46.1 22 22 A G T 3< S+ 0 0 56 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.746 87.6 59.1 -58.9 -21.2 33.5 23.6 49.4 23 23 A Q T < S+ 0 0 159 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.3 0.390 99.9 69.2 -90.8 2.6 36.5 21.2 49.4 24 24 A F < - 0 0 36 -3,-2.1 25,-0.1 1,-0.1 24,-0.1 -0.943 63.8-150.0-128.1 143.8 37.8 22.7 46.1 25 25 A D S S+ 0 0 146 23,-0.8 2,-0.3 -2,-0.4 24,-0.2 0.831 87.2 29.9 -75.9 -32.8 39.4 26.0 45.0 26 26 A R E -c 49 0A 126 22,-1.2 24,-2.7 2,-0.0 2,-0.4 -0.934 62.0-156.9-131.8 152.3 38.0 25.7 41.5 27 27 A V E -c 50 0A 6 -2,-0.3 72,-2.7 22,-0.2 73,-1.2 -0.995 9.0-166.5-127.0 131.0 35.1 24.2 39.6 28 28 A H E -cd 51 100A 20 22,-2.7 24,-3.0 -2,-0.4 2,-0.5 -0.961 3.9-159.1-117.5 135.7 35.0 23.3 35.9 29 29 A I E -cd 52 101A 1 71,-2.2 73,-2.0 -2,-0.4 2,-0.6 -0.957 2.4-167.0-113.6 127.7 31.8 22.5 33.9 30 30 A D E > -cd 53 102A 4 22,-3.0 24,-2.8 -2,-0.5 3,-0.5 -0.956 14.5-153.4-111.8 113.0 32.0 20.6 30.7 31 31 A L E 3 S+c 54 0A 7 71,-2.8 73,-0.5 -2,-0.6 24,-0.1 -0.735 78.5 13.4 -94.0 130.9 28.7 20.8 28.8 32 32 A G T 3 S+ 0 0 21 22,-1.9 -1,-0.3 -2,-0.4 23,-0.2 0.955 80.2 176.7 69.0 53.8 27.8 18.0 26.4 33 33 A T X - 0 0 5 21,-2.3 3,-0.9 -3,-0.5 2,-0.4 0.685 12.2-165.5 -75.1 -20.7 30.5 15.9 28.0 34 34 A G T 3 + 0 0 24 20,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.592 64.8 2.1 80.6-124.3 29.9 12.7 26.1 35 35 A D T 3 S- 0 0 33 -2,-0.4 29,-0.4 1,-0.1 -1,-0.2 0.499 91.2-120.4 -85.2 -1.5 31.5 9.5 27.3 36 36 A G S <> S+ 0 0 0 -3,-0.9 4,-2.6 28,-0.1 5,-0.2 0.303 82.9 113.7 85.4 -9.8 33.1 11.1 30.4 37 37 A R H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.830 73.6 51.8 -68.3 -35.4 36.7 10.2 29.3 38 38 A N H > S+ 0 0 11 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.956 114.0 44.2 -61.2 -50.6 37.8 13.8 28.7 39 39 A I H > S+ 0 0 0 -6,-0.2 4,-3.0 1,-0.2 5,-0.2 0.882 109.9 56.2 -61.3 -42.2 36.6 14.8 32.2 40 40 A Y H X S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.930 108.4 46.8 -56.2 -48.3 38.1 11.7 33.8 41 41 A K H X S+ 0 0 49 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.915 114.2 47.3 -62.5 -45.5 41.6 12.5 32.5 42 42 A L H X S+ 0 0 78 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.922 114.2 47.8 -59.1 -46.1 41.3 16.1 33.6 43 43 A A H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.898 108.5 51.6 -66.8 -42.7 40.1 15.2 37.0 44 44 A I H 3< S+ 0 0 73 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.850 114.5 45.0 -65.8 -30.3 42.6 12.5 37.8 45 45 A N H 3< S+ 0 0 112 -4,-1.4 2,-0.2 1,-0.2 -1,-0.2 0.535 117.8 43.5 -90.7 -8.3 45.4 14.9 36.9 46 46 A D X< + 0 0 52 -4,-0.8 3,-1.3 -3,-0.7 -1,-0.2 -0.677 55.6 169.7-139.4 86.5 44.0 17.9 38.8 47 47 A Q T 3 S+ 0 0 87 -3,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.452 74.5 69.5 -75.3 -0.4 42.7 17.0 42.3 48 48 A N T 3 S+ 0 0 118 -24,-0.1 -22,-1.2 -23,-0.1 -23,-0.8 0.375 92.2 66.4 -98.9 3.7 42.4 20.7 43.2 49 49 A T E < S-c 26 0A 11 -3,-1.3 2,-0.6 -6,-0.2 -22,-0.2 -0.965 75.5-136.9-123.8 140.1 39.5 21.3 40.8 50 50 A F E -c 27 0A 4 -24,-2.7 -22,-2.7 -2,-0.4 2,-0.5 -0.888 23.5-149.4 -95.7 124.7 36.0 19.8 41.0 51 51 A Y E -ce 28 80A 19 28,-3.0 30,-2.2 -2,-0.6 2,-0.5 -0.827 12.7-170.6-104.0 124.3 34.8 18.6 37.5 52 52 A I E -ce 29 81A 0 -24,-3.0 -22,-3.0 -2,-0.5 2,-0.5 -0.964 4.2-167.9-113.4 117.7 31.1 18.6 36.5 53 53 A G E -ce 30 82A 0 28,-2.3 30,-2.7 -2,-0.5 2,-0.5 -0.931 6.7-161.4-105.6 125.4 30.3 16.9 33.2 54 54 A I E +ce 31 83A 0 -24,-2.8 -21,-2.3 -2,-0.5 -22,-1.9 -0.923 20.1 154.6-110.5 128.7 26.8 17.5 31.9 55 55 A D E - e 0 84A 13 28,-2.3 30,-0.6 -2,-0.5 31,-0.1 -0.978 38.4-145.6-151.0 141.7 25.1 15.2 29.3 56 56 A P S S+ 0 0 76 0, 0.0 2,-0.8 0, 0.0 30,-0.1 0.644 90.3 68.3 -78.3 -16.5 21.5 14.5 28.5 57 57 A V > - 0 0 63 1,-0.2 3,-1.3 28,-0.1 4,-0.4 -0.848 62.6-174.4-109.0 98.2 22.2 10.8 27.5 58 58 A K G > S+ 0 0 66 -2,-0.8 3,-1.7 1,-0.3 4,-0.4 0.814 78.3 65.5 -65.1 -31.3 23.1 9.0 30.7 59 59 A E G > S+ 0 0 111 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.765 91.0 65.6 -62.9 -26.6 24.0 5.8 29.1 60 60 A N G < S+ 0 0 79 -3,-1.3 -1,-0.3 1,-0.2 4,-0.2 0.766 107.5 42.6 -60.8 -25.7 26.9 7.5 27.3 61 61 A L G <> S+ 0 0 0 -3,-1.7 4,-3.0 -4,-0.4 5,-0.3 0.461 82.2 102.2-102.7 -5.0 28.4 7.9 30.8 62 62 A F H <> S+ 0 0 48 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 0.879 81.7 47.5 -54.0 -47.3 27.7 4.5 32.4 63 63 A D H > S+ 0 0 111 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.929 117.7 39.1 -65.9 -46.3 31.2 3.1 32.0 64 64 A I H > S+ 0 0 7 -29,-0.4 4,-2.5 -4,-0.2 -1,-0.2 0.880 113.7 57.0 -71.7 -34.5 33.2 6.1 33.3 65 65 A S H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -59,-0.5 0.905 107.0 48.6 -60.7 -41.3 30.5 6.6 36.0 66 66 A K H < S+ 0 0 94 -4,-2.5 -1,-0.2 -5,-0.3 4,-0.2 0.840 111.1 52.6 -64.8 -32.5 31.0 3.0 37.2 67 67 A K H >< S+ 0 0 59 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.932 102.5 55.1 -70.3 -45.2 34.8 3.7 37.3 68 68 A I H 3< S+ 0 0 13 -4,-2.5 9,-1.7 1,-0.3 -1,-0.2 0.761 103.8 56.1 -65.6 -22.1 34.7 6.8 39.4 69 69 A I T 3< S+ 0 0 90 -4,-0.9 -1,-0.3 7,-0.2 -2,-0.2 0.482 88.4 97.1 -87.8 -2.0 32.8 5.1 42.2 70 70 A K S < S- 0 0 108 -3,-1.8 5,-0.1 -4,-0.2 7,-0.1 -0.232 93.6 -76.5 -71.9 172.3 35.4 2.4 42.6 71 71 A K > > - 0 0 118 1,-0.1 5,-2.1 5,-0.1 3,-2.0 -0.375 47.6-108.2 -63.5 153.8 38.1 2.6 45.3 72 72 A P G > 5S+ 0 0 113 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.841 119.7 60.6 -55.0 -36.6 41.0 5.0 44.4 73 73 A S G 3 5S+ 0 0 97 1,-0.3 220,-0.1 2,-0.1 -2,-0.0 0.694 108.2 45.7 -66.4 -18.1 43.3 2.0 43.8 74 74 A K G < 5S- 0 0 125 -3,-2.0 -1,-0.3 -7,-0.1 -4,-0.1 0.139 136.3 -80.1-110.6 18.0 40.9 0.9 41.1 75 75 A G T < 5S+ 0 0 17 -3,-1.8 -2,-0.1 1,-0.3 -4,-0.1 0.441 77.0 151.8 103.9 1.0 40.4 4.2 39.4 76 76 A G < - 0 0 9 -5,-2.1 2,-0.3 -7,-0.1 -1,-0.3 -0.297 23.4-164.9 -64.4 147.6 37.9 5.9 41.7 77 77 A L - 0 0 28 -9,-1.7 3,-0.2 3,-0.1 -33,-0.1 -0.952 22.0-162.9-130.4 153.9 37.8 9.7 41.9 78 78 A S S S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.461 84.2 67.6-110.7 -4.0 36.1 12.1 44.4 79 79 A N S S+ 0 0 0 -29,-0.1 -28,-3.0 -36,-0.0 2,-0.4 -0.036 85.8 80.0-108.9 30.5 36.4 15.3 42.3 80 80 A V E + e 0 51A 13 -30,-0.2 2,-0.3 -3,-0.2 -28,-0.2 -0.998 44.6 173.0-137.8 134.8 33.9 14.3 39.5 81 81 A V E - e 0 52A 14 -30,-2.2 -28,-2.3 -2,-0.4 2,-0.6 -0.995 20.7-144.5-134.2 144.5 30.1 14.4 39.2 82 82 A F E - e 0 53A 0 -78,-0.5 -78,-1.9 -2,-0.3 2,-0.5 -0.941 13.6-158.4-109.1 121.9 28.0 13.7 36.1 83 83 A V E -Be 3 54A 2 -30,-2.7 -28,-2.3 -2,-0.6 2,-0.9 -0.841 10.8-141.3 -99.3 132.3 24.9 15.8 35.8 84 84 A I E + e 0 55A 29 -82,-2.7 -82,-0.4 -2,-0.5 2,-0.3 -0.816 55.5 107.4 -95.1 102.8 22.1 14.5 33.6 85 85 A A - 0 0 14 -2,-0.9 2,-0.3 -30,-0.6 -53,-0.2 -0.979 57.5-118.8-164.7 163.6 20.6 17.5 31.8 86 86 A A > - 0 0 16 3,-0.5 3,-1.9 -2,-0.3 -31,-0.1 -0.817 30.2-113.1-110.7 157.9 20.4 19.3 28.5 87 87 A A G > S+ 0 0 6 -2,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.782 115.6 59.0 -53.7 -32.1 21.5 22.8 27.5 88 88 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 36,-0.0 2,-0.0 0.608 117.9 28.8 -77.8 -11.5 17.9 23.9 27.0 89 89 A S G < S+ 0 0 82 -3,-1.9 -3,-0.5 2,-0.0 -1,-0.3 -0.442 78.1 176.7-149.4 66.6 17.0 23.0 30.6 90 90 A L < - 0 0 32 -3,-0.6 2,-0.1 -5,-0.1 -3,-0.1 -0.479 39.4 -98.8 -77.1 144.8 20.0 23.4 32.9 91 91 A P > - 0 0 19 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.420 19.8-136.6 -65.9 132.2 19.5 22.9 36.7 92 92 A F G > S+ 0 0 154 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.774 100.2 72.1 -53.4 -30.5 19.1 26.1 38.7 93 93 A E G 3 S+ 0 0 51 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.680 89.9 58.6 -64.1 -20.5 21.5 24.6 41.3 94 94 A L G X S+ 0 0 0 -3,-1.8 3,-1.1 2,-0.0 4,-0.4 0.352 76.8 130.6 -91.5 6.1 24.5 25.1 38.9 95 95 A K T < S- 0 0 98 -3,-1.8 33,-0.3 1,-0.2 32,-0.1 -0.368 79.5 -5.2 -64.9 133.4 24.0 28.8 38.6 96 96 A N T 3 S+ 0 0 98 31,-3.0 -1,-0.2 33,-0.2 33,-0.2 0.793 101.6 113.8 62.3 31.6 27.1 31.0 39.2 97 97 A I < + 0 0 9 31,-1.5 2,-0.3 -3,-1.1 32,-0.2 0.761 44.5 89.2-105.6 -29.3 29.3 28.0 40.2 98 98 A A E - f 0 129A 0 30,-2.6 32,-3.0 -4,-0.4 -70,-0.2 -0.549 43.4-170.1 -89.0 134.2 32.0 27.5 37.5 99 99 A D E S+ 0 0 26 -72,-2.7 35,-1.9 -2,-0.3 2,-0.3 0.655 87.9 8.5 -81.2 -20.3 35.4 29.1 37.3 100 100 A S E -df 28 134A 18 -73,-1.2 -71,-2.2 33,-0.3 2,-0.3 -0.984 68.0-163.9-156.3 153.7 35.7 27.7 33.8 101 101 A I E -df 29 135A 5 33,-2.1 35,-1.1 -2,-0.3 2,-0.3 -0.969 3.3-168.2-138.8 153.9 33.5 26.1 31.2 102 102 A S E -df 30 136A 2 -73,-2.0 -71,-2.8 -2,-0.3 2,-0.4 -0.998 16.4-167.0-140.5 146.9 33.9 24.1 28.0 103 103 A I E - f 0 137A 2 33,-2.2 35,-2.5 -2,-0.3 2,-0.5 -0.949 25.7-169.4-125.0 109.8 31.8 22.9 25.1 104 104 A L E - f 0 138A 17 -73,-0.5 35,-0.1 -2,-0.4 33,-0.1 -0.906 59.5 -22.8-112.0 121.2 34.0 20.4 23.2 105 105 A F S S- 0 0 12 33,-2.4 -1,-0.2 -2,-0.5 34,-0.2 0.892 79.3-173.1 52.6 47.6 33.1 18.9 19.8 106 106 A P - 0 0 7 0, 0.0 34,-0.4 0, 0.0 2,-0.3 -0.330 1.4-170.1 -65.6 156.2 29.4 19.6 20.2 107 107 A W >> + 0 0 142 32,-0.1 4,-1.2 34,-0.1 3,-0.9 -0.841 42.2 6.5-135.7 177.3 27.1 18.2 17.5 108 108 A G H 3> S- 0 0 28 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.136 127.0 -4.5 53.2-135.8 23.5 18.4 16.3 109 109 A T H 3> S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 135.3 54.6 -62.5 -38.1 21.3 20.9 18.1 110 110 A L H <> S+ 0 0 27 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.892 107.0 51.4 -61.9 -41.8 24.0 21.9 20.6 111 111 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 5,-0.2 0.930 108.5 52.0 -61.4 -42.1 26.4 22.7 17.8 112 112 A E H X S+ 0 0 21 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.893 106.2 53.9 -60.8 -38.7 23.7 24.9 16.2 113 113 A Y H <>S+ 0 0 40 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.861 112.2 45.4 -63.1 -35.9 23.3 26.7 19.5 114 114 A V H <5S+ 0 0 0 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.902 118.4 39.0 -74.5 -42.0 27.0 27.5 19.6 115 115 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.790 123.7 34.3 -87.6 -25.8 27.5 28.6 16.0 116 116 A K T <5S- 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.943 110.5-127.5 -56.7 -56.2 24.3 30.6 15.3 117 117 A P T 5 - 0 0 4 0, 0.0 2,-0.9 0, 0.0 -3,-0.2 0.711 20.2-145.4 -92.2 161.4 24.5 31.4 18.2 118 118 A N >< - 0 0 41 -5,-2.7 4,-2.7 1,-0.2 5,-0.2 -0.783 13.8-162.5 -83.1 109.1 21.3 30.8 20.1 119 119 A R H > S+ 0 0 104 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.879 84.3 50.7 -61.8 -43.9 21.3 33.8 22.5 120 120 A D H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.916 114.9 42.8 -64.8 -44.3 18.7 32.3 24.9 121 121 A I H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.942 115.1 47.9 -67.7 -48.3 20.6 29.0 25.3 122 122 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.841 107.1 57.8 -65.3 -31.2 24.0 30.5 25.5 123 123 A S H X S+ 0 0 20 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.904 107.1 48.4 -61.8 -39.2 22.8 33.0 28.1 124 124 A N H < S+ 0 0 73 -4,-1.4 4,-0.4 -3,-0.2 -2,-0.2 0.870 111.0 50.4 -70.8 -33.8 21.7 30.1 30.2 125 125 A V H >< S+ 0 0 3 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.920 108.9 51.2 -64.8 -44.6 25.1 28.5 29.7 126 126 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 49,-0.3 -2,-0.2 0.840 99.4 66.5 -61.6 -32.2 26.8 31.7 30.8 127 127 A D T 3< S+ 0 0 30 -4,-1.6 -31,-3.0 1,-0.3 -1,-0.3 0.712 90.7 64.4 -62.0 -20.3 24.6 31.7 33.9 128 128 A L T < S+ 0 0 3 -3,-1.5 -30,-2.6 -4,-0.4 -31,-1.5 0.648 95.6 76.5 -74.1 -17.2 26.5 28.6 35.0 129 129 A A E < S-f 98 0A 0 -3,-1.9 -33,-0.2 -4,-0.3 -30,-0.2 -0.668 79.3-120.1-105.0 152.8 29.7 30.5 35.3 130 130 A K E > - 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0 0 5 -34,-0.4 2,-0.3 -2,-0.3 69,-0.1 -0.925 53.4 -88.3-166.0 159.5 33.9 21.0 13.8 141 141 A Y - 0 0 21 67,-0.3 3,-0.1 -2,-0.3 -34,-0.1 -0.657 31.3-142.8 -74.7 135.9 31.3 19.3 11.6 142 142 A S S S- 0 0 9 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.850 74.0 -21.8 -68.4 -38.5 30.8 15.7 12.8 143 143 A D S > S- 0 0 75 1,-0.1 4,-2.3 -3,-0.0 -1,-0.2 -0.964 73.2 -88.6-161.0 174.8 30.4 14.4 9.2 144 144 A S H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.856 123.7 54.5 -62.2 -33.4 29.6 15.4 5.7 145 145 A Y H > S+ 0 0 180 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 107.8 47.8 -66.7 -42.5 25.9 14.8 6.4 146 146 A E H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.914 110.9 52.7 -64.5 -40.4 25.8 17.0 9.4 147 147 A E H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 111.2 46.4 -56.9 -47.9 27.6 19.7 7.4 148 148 A A H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 111.7 51.9 -62.5 -39.1 25.0 19.4 4.7 149 149 A E H X S+ 0 0 92 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.913 111.0 45.5 -65.7 -45.8 22.2 19.5 7.2 150 150 A I H <>S+ 0 0 6 -4,-2.5 5,-2.1 1,-0.2 -1,-0.2 0.919 115.3 48.3 -63.7 -43.0 23.4 22.7 9.0 151 151 A K H ><5S+ 0 0 131 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.873 108.1 54.3 -63.7 -41.5 24.0 24.4 5.6 152 152 A K H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.5 55.4 -62.0 -34.8 20.6 23.4 4.3 153 153 A R T 3<5S- 0 0 168 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.434 119.1-112.1 -82.0 2.4 19.0 25.0 7.4 154 154 A G T < 5 + 0 0 67 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.756 64.3 150.9 76.0 25.4 20.7 28.3 6.5 155 155 A L < - 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0 0 74 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.530 53.2 -80.2 -95.9 160.0 69.6 3.5 -3.6 376 156 B P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.320 34.0-156.3 -59.5 132.5 66.9 5.8 -2.1 377 157 B L - 0 0 66 -3,-0.1 5,-0.1 -16,-0.1 2,-0.0 -0.930 24.0-135.3-110.3 101.8 68.1 9.3 -1.4 378 158 B L + 0 0 21 -2,-0.7 2,-0.3 -16,-0.1 -17,-0.1 -0.303 44.4 131.5 -68.2 140.4 65.7 10.5 1.3 379 159 B S > - 0 0 44 1,-0.1 4,-1.6 -2,-0.0 5,-0.2 -0.936 69.9 -97.1-168.7 165.5 64.1 14.0 1.2 380 160 B K H > S+ 0 0 90 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.918 126.9 54.7 -57.6 -40.2 60.7 15.4 1.5 381 161 B A H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.870 101.7 57.4 -61.4 -40.3 60.6 15.4 -2.3 382 162 B Y H >4 S+ 0 0 48 1,-0.2 3,-0.8 2,-0.2 6,-0.3 0.921 109.3 44.1 -54.6 -48.1 61.4 11.6 -2.3 383 163 B F H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 113.9 50.3 -77.1 -17.8 58.4 10.8 -0.2 384 164 B L H 3< S+ 0 0 80 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.459 84.2 121.4 -93.3 -3.1 56.0 13.1 -2.2 385 165 B S S S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 113.0 53.1 -58.0 -38.3 54.4 10.2 -7.8 387 167 B Q H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 109.3 45.2 -67.8 -44.8 56.3 6.9 -7.8 388 168 B Y H > S+ 0 0 4 -6,-0.3 4,-2.6 1,-0.2 5,-0.3 0.928 114.4 50.4 -64.8 -40.9 56.6 6.6 -4.0 389 169 B K H X S+ 0 0 77 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 111.4 48.1 -62.4 -42.0 52.9 7.5 -3.7 390 170 B A H X S+ 0 0 53 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.893 110.8 50.9 -66.2 -42.2 52.0 4.9 -6.3 391 171 B E H X S+ 0 0 36 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.937 112.9 44.8 -61.4 -49.4 54.1 2.2 -4.6 392 172 B L H X>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.6 0.911 112.3 53.3 -60.7 -40.6 52.6 2.8 -1.2 393 173 B S H ><5S+ 0 0 66 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.931 107.2 50.5 -60.8 -44.5 49.1 3.0 -2.7 394 174 B N H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.1 54.1 -57.6 -32.9 49.6 -0.4 -4.4 395 175 B S H 3<5S- 0 0 0 -4,-1.6 -49,-0.3 2,-0.2 -1,-0.3 0.521 129.5 -95.3 -82.5 -8.4 50.7 -1.7 -1.0 396 176 B G T <<5S+ 0 0 3 -3,-1.4 41,-1.8 -4,-0.6 42,-1.3 0.547 86.9 118.0 106.6 12.9 47.5 -0.5 0.7 397 177 B F E < -P 436 0B 0 -5,-2.9 2,-0.7 39,-0.3 -1,-0.2 -0.945 45.8-158.9-119.4 124.5 48.6 2.9 2.0 398 178 B R E -P 435 0B 97 37,-3.3 37,-1.9 -2,-0.5 2,-0.3 -0.862 19.8-140.1 -99.8 112.0 47.1 6.3 1.0 399 179 B I E +P 434 0B 28 -2,-0.7 35,-0.3 35,-0.2 3,-0.1 -0.562 28.0 169.4 -74.1 127.3 49.6 9.1 1.8 400 180 B D E + 0 0 78 33,-3.0 2,-0.3 -2,-0.3 34,-0.2 0.677 64.7 5.7-102.3 -33.4 47.9 12.3 3.2 401 181 B D E -P 433 0B 63 32,-2.1 32,-2.4 2,-0.0 2,-0.4 -0.999 49.3-160.3-155.1 148.5 50.9 14.2 4.3 402 182 B V E -P 432 0B 1 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.998 18.2-174.0-130.3 129.5 54.7 14.3 4.4 403 183 B K E -P 431 0B 93 28,-2.1 28,-2.5 -2,-0.4 2,-0.6 -0.970 19.3-144.9-125.0 138.8 56.6 16.4 6.9 404 184 B E E +P 430 0B 102 -2,-0.4 2,-0.2 26,-0.2 26,-0.2 -0.928 31.2 173.3-100.9 123.6 60.3 17.1 7.2 405 185 B L E -P 429 0B 42 24,-3.5 24,-3.0 -2,-0.6 2,-0.2 -0.735 17.6-139.3-125.6 168.4 61.1 17.4 10.9 406 186 B D >> - 0 0 61 -2,-0.2 3,-1.1 22,-0.2 4,-0.8 -0.547 42.0 -72.8-123.6-172.3 64.4 17.8 12.7 407 187 B N H >> S+ 0 0 7 20,-0.5 3,-0.7 1,-0.2 4,-0.7 0.823 122.1 63.7 -51.9 -36.0 66.1 16.5 15.9 408 188 B E H >4 S+ 0 0 110 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.857 96.5 57.9 -63.5 -34.8 63.9 18.6 18.2 409 189 B Y H X4 S+ 0 0 42 -3,-1.1 3,-1.2 1,-0.2 -1,-0.3 0.854 101.0 57.2 -58.3 -35.9 60.8 16.7 17.1 410 190 B V H X< S+ 0 0 0 -4,-0.8 3,-1.9 -3,-0.7 -1,-0.2 0.688 83.8 82.8 -73.3 -16.3 62.4 13.4 18.2 411 191 B K T << S+ 0 0 89 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.712 78.9 69.0 -62.2 -18.5 62.8 14.7 21.8 412 192 B Q T < S+ 0 0 103 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.656 84.8 86.5 -74.2 -15.4 59.2 13.8 22.5 413 193 B F < - 0 0 21 -3,-1.9 -155,-0.1 -4,-0.1 9,-0.1 -0.509 65.0-150.5 -92.2 159.2 59.9 10.0 22.3 414 194 B N + 0 0 56 -2,-0.2 -1,-0.1 4,-0.1 -156,-0.1 0.566 55.3 106.1-110.7 -9.7 61.1 7.9 25.1 415 195 B S S > S- 0 0 0 26,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.327 74.0-122.1 -72.0 154.3 63.2 5.0 23.8 416 196 B L H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 115.1 56.3 -61.5 -38.3 67.0 5.1 24.2 417 197 B W H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 110.3 42.7 -58.2 -46.5 67.2 4.9 20.4 418 198 B A H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.873 111.4 54.9 -68.9 -36.9 65.1 8.0 19.9 419 199 B K H X S+ 0 0 115 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 109.8 47.7 -62.5 -42.4 66.9 9.8 22.7 420 200 B R H < S+ 0 0 174 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 113.8 46.9 -68.4 -32.6 70.2 9.1 20.9 421 201 B L H >< S+ 0 0 30 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.931 113.1 48.4 -69.5 -46.5 68.7 10.3 17.6 422 202 B A H 3< S+ 0 0 4 -4,-3.3 -2,-0.2 1,-0.3 -11,-0.2 0.877 122.0 33.9 -63.9 -41.1 67.2 13.5 19.2 423 203 B F T 3< S+ 0 0 142 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.112 107.9 94.1-100.1 19.1 70.5 14.4 21.0 424 204 B G S < S- 0 0 37 -3,-1.3 3,-0.1 1,-0.3 -3,-0.1 -0.179 90.0 -48.9 -97.2-167.1 72.6 13.0 18.2 425 205 B R S S- 0 0 187 1,-0.2 -1,-0.3 -5,-0.1 2,-0.1 -0.155 79.3 -74.4 -63.9 162.1 74.2 14.7 15.2 426 206 B K + 0 0 127 -3,-0.1 2,-0.3 -20,-0.0 -1,-0.2 -0.362 67.0 158.6 -65.5 131.0 71.9 16.9 13.0 427 207 B R - 0 0 51 -3,-0.1 -20,-0.5 -2,-0.1 2,-0.3 -0.983 38.1-122.0-148.7 152.6 69.6 14.9 10.9 428 208 B S - 0 0 33 -2,-0.3 -67,-0.4 -22,-0.1 2,-0.4 -0.761 23.4-157.3 -94.4 147.4 66.3 15.3 9.0 429 209 B F E - P 0 405B 0 -24,-3.0 -24,-3.5 -2,-0.3 2,-0.5 -0.982 3.7-151.1-127.4 136.2 63.3 13.1 9.9 430 210 B F E -OP 359 404B 6 -71,-3.1 -71,-2.3 -2,-0.4 2,-0.6 -0.929 4.1-162.6-116.0 128.6 60.5 12.4 7.6 431 211 B R E -OP 358 403B 19 -28,-2.5 -28,-2.1 -2,-0.5 2,-0.5 -0.949 6.3-174.1-113.3 115.5 56.9 11.6 8.7 432 212 B V E +OP 357 402B 3 -75,-2.8 -75,-2.9 -2,-0.6 2,-0.3 -0.945 17.0 167.2-107.8 124.1 54.7 10.1 6.1 433 213 B S E +OP 356 401B 9 -32,-2.4 -33,-3.0 -2,-0.5 -32,-2.1 -0.932 12.9 108.6-139.3 165.1 51.1 9.6 7.3 434 214 B G E -OP 355 399B 1 -79,-1.7 -79,-2.3 -2,-0.3 2,-0.3 -0.923 58.8 -61.0 164.3-147.9 47.7 8.9 5.9 435 215 B H E -OP 354 398B 8 -37,-1.9 -37,-3.3 -2,-0.3 2,-0.5 -0.953 42.9-101.7-136.9 155.3 45.2 6.0 6.0 436 216 B V E + P 0 397B 1 -83,-2.6 -84,-1.4 -2,-0.3 -39,-0.3 -0.653 34.7 176.3 -79.4 121.8 45.1 2.4 4.9 437 217 B S + 0 0 33 -41,-1.8 -40,-0.2 -2,-0.5 -1,-0.1 0.300 53.7 97.3-109.2 4.5 43.2 2.2 1.6 438 218 B K 0 0 81 -42,-1.3 -1,-0.1 1,-0.2 -41,-0.1 0.841 360.0 360.0 -64.7 -33.5 43.7 -1.5 1.0 439 219 B H 0 0 81 -43,-0.2 -1,-0.2 -3,-0.2 -88,-0.1 0.634 360.0 360.0-102.2 360.0 40.3 -2.5 2.5 440 ! 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 0.0 441 220 B X 0 0 26 0, 0.0 -187,-0.2 0, 0.0 -26,-0.1 0.000 360.0 360.0 360.0 360.0 61.6 2.0 18.1