==== 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 26-OCT-05 2ESR . COMPND 2 MOLECULE: METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR J.JIANG,T.MIN,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RES . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 14.4 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 . 4 1.2 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 . 23 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 4 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 3 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 . 2 2 0 0 0 0 2 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 28 A V > 0 0 121 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -38.1 14.9 16.0 70.9 2 29 A R H > + 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.856 360.0 60.5 -61.9 -36.2 14.5 19.4 69.2 3 30 A G H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.923 107.7 45.2 -57.3 -44.0 15.8 21.2 72.3 4 31 A A H > S+ 0 0 36 -3,-0.3 4,-0.9 2,-0.2 3,-0.4 0.938 113.2 49.6 -64.8 -49.2 19.1 19.3 72.0 5 32 A I H >X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 3,-1.1 0.946 112.6 46.4 -56.4 -50.6 19.4 19.9 68.3 6 33 A F H 3X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 -1,-0.2 0.719 104.4 60.4 -69.9 -18.0 18.8 23.6 68.5 7 34 A N H 3< S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.721 106.2 51.5 -77.0 -19.4 21.2 24.0 71.4 8 35 A X H << S+ 0 0 17 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.885 127.8 17.3 -80.1 -42.7 23.8 22.7 68.9 9 36 A I H < S- 0 0 4 -4,-1.5 -2,-0.2 2,-0.0 -3,-0.2 0.551 133.0 -22.1-108.9 -13.0 23.0 25.1 66.1 10 37 A G < - 0 0 10 -4,-2.6 -3,-0.2 -5,-0.2 -4,-0.1 0.382 23.7-163.2-112.2-113.5 21.0 27.9 67.8 11 38 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.994 95.0 7.4 -80.7 -4.9 19.4 28.3 70.3 12 39 A Y - 0 0 124 -5,-0.1 2,-0.3 -3,-0.1 24,-0.2 -0.923 66.3-153.6-132.4 160.2 18.1 31.5 68.5 13 40 A F - 0 0 25 22,-2.6 2,-0.2 -2,-0.3 3,-0.1 -0.950 15.8-140.6-133.1 153.1 18.5 32.9 65.0 14 41 A N - 0 0 153 1,-0.4 23,-0.2 -2,-0.3 22,-0.1 -0.355 69.3 -63.7-109.3 52.8 18.3 36.4 63.6 15 42 A G S S+ 0 0 28 21,-1.5 -1,-0.4 -2,-0.2 2,-0.2 -0.090 71.4 130.3 93.1 166.3 16.5 35.7 60.4 16 43 A G - 0 0 6 -3,-0.1 23,-1.6 20,-0.1 22,-1.5 -0.679 54.0 -69.8 134.5 171.4 17.3 33.7 57.3 17 44 A R E -a 39 0A 27 -2,-0.2 68,-2.1 66,-0.2 69,-1.7 -0.867 37.3-157.2-105.6 131.4 15.9 31.0 55.0 18 45 A V E -ab 40 86A 0 21,-2.3 23,-2.5 -2,-0.5 2,-0.5 -0.818 2.8-162.4-105.7 141.9 15.4 27.4 56.0 19 46 A L E -ab 41 87A 0 67,-2.7 69,-2.9 -2,-0.4 2,-0.6 -0.993 4.6-172.4-122.9 121.2 15.3 24.4 53.6 20 47 A D E > -ab 42 88A 7 21,-2.9 23,-2.8 -2,-0.5 3,-0.6 -0.888 7.3-172.3-117.8 98.1 13.8 21.2 55.0 21 48 A L E 3 S+ab 43 89A 0 67,-1.8 69,-0.7 -2,-0.6 23,-0.1 -0.674 76.7 15.9 -89.4 145.5 14.2 18.4 52.5 22 49 A F T 3 S- 0 0 47 21,-0.8 -1,-0.3 -2,-0.3 22,-0.2 0.951 87.8-177.3 54.6 48.0 12.4 15.1 53.2 23 50 A A X - 0 0 9 20,-2.5 3,-2.7 -3,-0.6 2,-0.4 0.655 4.6-178.5 -53.5 -28.3 10.5 17.3 55.7 24 51 A G T 3 S- 0 0 26 1,-0.3 29,-0.3 19,-0.2 -1,-0.2 -0.454 77.9 -8.6 63.8-116.9 8.3 14.6 57.3 25 52 A S T 3 S- 0 0 62 -2,-0.4 -1,-0.3 27,-0.1 31,-0.1 0.422 94.3-123.2 -91.6 -0.7 6.1 16.3 59.8 26 53 A G <> + 0 0 0 -3,-2.7 4,-2.4 -4,-0.1 5,-0.2 0.556 64.7 142.3 71.6 9.4 8.1 19.5 59.3 27 54 A G H > + 0 0 26 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.835 67.5 48.4 -50.3 -43.0 9.0 19.7 63.0 28 55 A L H > S+ 0 0 27 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.925 112.1 47.4 -67.8 -44.6 12.5 21.0 62.5 29 56 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 113.5 49.0 -62.7 -43.1 11.6 23.7 60.0 30 57 A I H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 112.5 46.6 -63.5 -44.8 8.8 25.0 62.2 31 58 A E H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.899 109.8 55.0 -65.8 -37.7 10.9 25.1 65.4 32 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.891 110.1 45.3 -62.9 -40.6 13.7 26.9 63.5 33 60 A V H ><5S+ 0 0 15 -4,-2.0 3,-1.6 3,-0.2 -1,-0.2 0.905 109.7 55.6 -69.0 -38.7 11.3 29.6 62.4 34 61 A S H 3<5S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 108.1 50.7 -60.7 -31.2 9.9 29.8 65.9 35 62 A R T 3<5S- 0 0 65 -4,-1.8 -22,-2.6 -5,-0.1 -1,-0.3 0.400 138.4 -70.6 -88.9 1.7 13.5 30.4 67.1 36 63 A G T < 5S+ 0 0 27 -3,-1.6 -21,-1.5 1,-0.4 -3,-0.2 0.313 85.1 131.6 133.0 -16.4 14.2 33.2 64.7 37 64 A X < - 0 0 7 -5,-2.4 -1,-0.4 -23,-0.2 -20,-0.1 -0.438 50.3-139.1 -68.2 148.1 14.5 32.0 61.1 38 65 A S - 0 0 24 -22,-1.5 2,-0.3 1,-0.2 -21,-0.2 0.909 68.0 -10.5 -77.1 -46.2 12.5 34.1 58.7 39 66 A A E -a 17 0A 11 -23,-1.6 -21,-2.3 188,-0.0 2,-0.3 -0.948 57.6-147.0-150.3 168.1 10.9 31.6 56.4 40 67 A A E -ac 18 66A 2 25,-2.4 27,-2.3 -2,-0.3 2,-0.5 -1.000 6.6-153.8-145.8 142.7 11.1 27.9 55.4 41 68 A V E -ac 19 67A 5 -23,-2.5 -21,-2.9 -2,-0.3 2,-0.4 -0.975 21.2-166.0-112.7 125.2 10.7 25.8 52.3 42 69 A L E -ac 20 68A 0 25,-3.2 27,-3.3 -2,-0.5 2,-0.5 -0.943 6.2-164.9-115.1 136.5 9.6 22.3 53.1 43 70 A V E +ac 21 69A 1 -23,-2.8 -20,-2.5 -2,-0.4 -21,-0.8 -0.983 20.7 153.6-122.8 122.4 9.7 19.4 50.6 44 71 A E - 0 0 29 25,-2.1 28,-0.1 -2,-0.5 -2,-0.1 -0.937 25.1-168.2-151.2 123.5 7.9 16.2 51.3 45 72 A K + 0 0 83 -2,-0.3 2,-0.2 25,-0.2 27,-0.1 0.755 61.0 96.1 -83.5 -28.4 6.5 13.7 48.8 46 73 A N > - 0 0 66 1,-0.1 4,-2.0 25,-0.1 5,-0.1 -0.459 66.1-145.2 -69.3 132.3 4.3 11.6 51.1 47 74 A R H > S+ 0 0 170 -2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.868 97.8 49.3 -65.1 -40.5 0.6 12.6 51.2 48 75 A K H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.7 50.3 -68.0 -39.0 0.1 11.8 54.9 49 76 A A H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.919 107.4 55.3 -64.2 -42.5 3.2 13.8 55.9 50 77 A Q H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.898 105.9 51.4 -57.0 -42.3 2.0 16.7 53.8 51 78 A A H X S+ 0 0 49 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.932 111.4 47.2 -61.5 -45.3 -1.3 16.7 55.7 52 79 A I H X S+ 0 0 76 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.932 111.8 50.3 -62.4 -46.1 0.5 16.7 59.1 53 80 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 -29,-0.3 -2,-0.2 0.940 108.6 51.7 -57.5 -50.0 2.8 19.5 58.0 54 81 A Q H X S+ 0 0 59 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.880 112.0 47.0 -55.9 -40.5 -0.0 21.7 56.8 55 82 A D H >X S+ 0 0 101 -4,-1.9 4,-1.5 2,-0.2 3,-0.5 0.934 111.8 49.4 -67.8 -46.5 -1.8 21.3 60.1 56 83 A N H 3< S+ 0 0 51 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.853 106.2 58.0 -60.6 -35.9 1.3 22.0 62.1 57 84 A I H ><>S+ 0 0 14 -4,-2.5 3,-0.7 1,-0.2 5,-0.6 0.833 103.6 52.7 -64.0 -32.9 2.0 25.1 60.0 58 85 A I H X<5S+ 0 0 97 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.2 0.885 100.1 61.2 -70.3 -38.8 -1.5 26.5 61.1 59 86 A X T 3<5S+ 0 0 151 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.617 94.1 65.2 -63.8 -12.5 -0.7 26.0 64.8 60 87 A T T < 5S- 0 0 41 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.567 94.7-142.1 -86.0 -9.6 2.2 28.5 64.4 61 88 A K T < 5S+ 0 0 189 -3,-2.0 -3,-0.1 -4,-0.2 -2,-0.1 0.665 89.2 81.6 56.1 14.7 -0.3 31.3 63.6 62 89 A A > < + 0 0 35 -5,-0.6 3,-1.9 1,-0.1 -1,-0.1 -0.239 45.8 143.8-140.5 43.5 2.5 32.3 61.1 63 90 A E G > + 0 0 92 1,-0.3 3,-1.7 -5,-0.2 -5,-0.1 0.692 59.9 76.3 -59.2 -21.7 1.7 30.0 58.2 64 91 A N G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.1 137,-0.1 0.593 85.1 65.0 -68.6 -8.2 2.6 32.7 55.7 65 92 A R G < S+ 0 0 86 -3,-1.9 -25,-2.4 -8,-0.1 2,-0.4 0.441 92.8 77.1 -93.0 -0.9 6.3 32.0 56.5 66 93 A F E < -c 40 0A 5 -3,-1.7 2,-0.5 -27,-0.2 -25,-0.2 -0.904 53.3-169.8-119.1 141.8 6.2 28.5 55.1 67 94 A T E -c 41 0A 7 -27,-2.3 -25,-3.2 -2,-0.4 2,-0.5 -0.984 12.4-162.3-126.0 115.6 6.2 27.1 51.5 68 95 A L E -c 42 0A 5 -2,-0.5 174,-1.1 -27,-0.2 2,-0.5 -0.884 2.5-165.8-103.9 127.3 5.4 23.4 51.2 69 96 A L E -cD 43 241A 0 -27,-3.3 -25,-2.1 -2,-0.5 2,-1.1 -0.948 12.4-151.3-114.0 128.0 6.4 21.6 48.0 70 97 A K + 0 0 48 170,-3.3 2,-0.3 -2,-0.5 -25,-0.2 -0.782 59.3 95.2 -97.5 89.1 5.0 18.2 47.2 71 98 A X S S- 0 0 3 -2,-1.1 2,-0.2 -25,-0.0 -25,-0.1 -0.978 80.5 -69.5-164.8 171.1 7.8 16.8 45.0 72 99 A E > - 0 0 97 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.478 42.4-125.1 -70.5 141.8 10.9 14.7 44.9 73 100 A A H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 111.8 53.4 -54.2 -42.0 13.9 16.3 46.7 74 101 A E H > S+ 0 0 156 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.910 111.5 44.0 -60.1 -45.6 16.0 15.9 43.5 75 102 A R H >> S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.920 112.0 54.8 -65.4 -44.2 13.3 17.7 41.4 76 103 A A H >X S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 4,-1.4 0.930 101.5 56.5 -55.2 -50.5 12.9 20.3 44.1 77 104 A I H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 103.9 54.8 -53.5 -33.9 16.6 21.2 44.2 78 105 A D H << S+ 0 0 93 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.666 111.9 43.8 -74.9 -15.3 16.5 22.0 40.4 79 106 A C H << S+ 0 0 2 -3,-2.0 152,-3.1 -4,-0.6 -2,-0.2 0.586 91.5 98.5-104.6 -13.9 13.6 24.4 41.0 80 107 A L B < +I 230 0B 3 -4,-1.4 150,-0.1 150,-0.2 3,-0.0 -0.391 40.5 172.2 -73.4 152.8 15.0 26.3 44.0 81 108 A T + 0 0 18 148,-0.7 -1,-0.1 -2,-0.1 149,-0.1 0.669 42.6 82.3-132.8 -33.5 16.7 29.6 43.6 82 109 A G S S- 0 0 12 147,-0.4 2,-0.3 1,-0.1 30,-0.1 -0.385 80.4-101.9 -81.7 158.9 17.6 31.5 46.8 83 110 A R - 0 0 125 28,-0.1 2,-0.4 -2,-0.1 28,-0.2 -0.590 37.6-144.0 -75.4 137.2 20.5 30.9 49.1 84 111 A F E - e 0 111A 7 26,-2.3 28,-2.6 -2,-0.3 -66,-0.2 -0.886 15.5-166.7-109.0 137.6 19.6 28.9 52.2 85 112 A D E S+ 0 0 58 -68,-2.1 31,-1.4 -2,-0.4 2,-0.4 0.716 79.0 28.0 -91.8 -25.4 21.1 29.5 55.6 86 113 A L E -be 18 116A 1 -69,-1.7 -67,-2.7 29,-0.2 2,-0.4 -0.982 66.1-173.3-142.5 125.0 19.9 26.4 57.3 87 114 A V E -be 19 117A 0 29,-2.8 31,-3.2 -2,-0.4 2,-0.5 -0.975 8.2-157.6-123.3 130.9 19.2 23.0 55.7 88 115 A F E -be 20 118A 1 -69,-2.9 -67,-1.8 -2,-0.4 2,-0.4 -0.931 12.1-176.9-108.5 129.7 17.6 20.0 57.4 89 116 A L E +be 21 119A 2 29,-2.8 31,-1.7 -2,-0.5 -67,-0.1 -0.975 22.2 147.8-131.8 119.2 18.2 16.6 55.9 90 117 A D + 0 0 77 -69,-0.7 31,-0.1 -2,-0.4 29,-0.1 -0.617 31.3 160.1-146.1 76.2 16.7 13.3 57.2 91 118 A P - 0 0 9 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.439 45.3 -95.0-100.6 172.6 16.2 11.1 54.2 92 119 A P S S+ 0 0 80 0, 0.0 5,-0.3 0, 0.0 6,-0.1 -0.448 114.8 30.2 -77.0 160.3 15.8 7.4 53.4 93 120 A Y S > S- 0 0 195 -2,-0.1 4,-3.2 3,-0.1 5,-0.4 0.955 91.8-166.1 47.8 51.2 19.1 5.7 52.5 94 121 A A H > S+ 0 0 19 -3,-0.4 4,-3.2 1,-0.2 5,-0.3 0.825 72.3 40.9 -34.2 -71.1 20.6 8.3 54.8 95 122 A K H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 120.7 44.2 -51.3 -51.4 24.3 8.1 54.1 96 123 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 118.9 41.7 -60.2 -49.7 23.8 7.7 50.3 97 124 A T H X S+ 0 0 27 -4,-3.2 4,-2.8 -5,-0.3 5,-0.2 0.846 110.0 56.6 -71.0 -35.3 21.1 10.4 50.0 98 125 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.4 5,-0.3 0.957 111.2 44.1 -62.0 -46.5 22.8 12.9 52.4 99 126 A V H X S+ 0 0 42 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.955 116.1 46.0 -62.8 -49.3 26.0 12.9 50.3 100 127 A A H X S+ 0 0 61 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.901 114.5 48.9 -61.1 -40.5 24.1 13.1 46.9 101 128 A T H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.917 111.5 46.7 -68.2 -43.7 21.9 15.9 48.2 102 129 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.900 112.5 51.5 -65.8 -38.5 24.6 18.0 49.7 103 130 A E H X S+ 0 0 84 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.924 112.4 46.7 -62.2 -41.8 26.6 17.6 46.5 104 131 A A H X S+ 0 0 37 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.912 111.8 49.5 -66.7 -43.5 23.6 18.7 44.5 105 132 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 6,-0.4 0.896 113.1 47.8 -61.9 -40.6 22.8 21.7 46.7 106 133 A A H ><5S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.895 109.6 52.0 -67.3 -41.5 26.5 22.8 46.4 107 134 A A H 3<5S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.2 49.1 -65.8 -29.5 26.5 22.4 42.6 108 135 A K T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.273 109.5-124.6 -93.3 10.1 23.4 24.5 42.3 109 136 A N T < 5 + 0 0 99 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.869 66.2 138.6 46.5 47.4 24.9 27.2 44.6 110 137 A L < + 0 0 4 -5,-2.3 -26,-2.3 -6,-0.1 2,-0.5 0.357 41.6 90.1 -99.4 2.8 21.9 27.0 46.9 111 138 A L E S-e 84 0A 7 -6,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.875 73.1-128.9-107.3 131.1 23.9 27.2 50.1 112 139 A S E > - 0 0 13 -28,-2.6 3,-1.6 -2,-0.5 40,-0.2 -0.241 30.3-107.9 -67.8 162.5 24.7 30.5 51.9 113 140 A E E 3 S+ 0 0 147 1,-0.3 39,-0.4 38,-0.1 41,-0.2 0.923 122.5 40.2 -55.6 -45.0 28.4 31.1 52.8 114 141 A Q E 3 S+ 0 0 61 37,-0.1 -1,-0.3 41,-0.1 -2,-0.1 0.016 89.4 150.7 -95.7 27.7 27.4 30.6 56.5 115 142 A V E < - 0 0 0 -3,-1.6 37,-0.5 -31,-0.1 2,-0.5 -0.178 34.8-154.3 -62.4 150.1 25.1 27.7 55.9 116 143 A X E -eF 86 151A 18 -31,-1.4 -29,-2.8 35,-0.1 2,-0.7 -0.996 4.2-162.4-124.5 119.0 24.5 24.9 58.4 117 144 A V E -eF 87 150A 0 33,-2.8 33,-3.0 -2,-0.5 2,-0.6 -0.924 12.8-161.2-105.3 107.7 23.4 21.6 56.9 118 145 A V E -eF 88 149A 3 -31,-3.2 -29,-2.8 -2,-0.7 2,-0.5 -0.823 6.3-169.3 -97.5 119.4 21.9 19.6 59.7 119 146 A C E -eF 89 148A 0 29,-3.5 29,-2.8 -2,-0.6 2,-0.5 -0.920 5.8-167.6-112.2 125.7 21.6 15.9 59.3 120 147 A E E + F 0 147A 36 -31,-1.7 2,-0.2 -2,-0.5 27,-0.2 -0.957 26.7 147.1-112.2 125.7 19.6 13.7 61.7 121 148 A T E - F 0 146A 7 25,-2.7 25,-2.6 -2,-0.5 -31,-0.0 -0.832 53.4 -65.7-144.0 179.8 20.2 9.9 61.2 122 149 A D E > - F 0 145A 108 -2,-0.2 3,-1.0 23,-0.2 23,-0.2 -0.382 53.2-112.1 -67.9 155.8 20.4 6.7 63.1 123 150 A K T 3 S+ 0 0 94 21,-0.5 -1,-0.1 1,-0.2 22,-0.1 0.820 115.1 55.5 -60.2 -32.6 23.3 6.6 65.6 124 151 A T T 3 S+ 0 0 109 20,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.683 79.2 108.3 -76.6 -19.3 25.1 3.9 63.6 125 152 A V < - 0 0 26 -3,-1.0 2,-0.6 1,-0.1 -4,-0.1 -0.418 59.0-152.1 -63.1 124.5 25.1 5.8 60.3 126 153 A L - 0 0 125 -2,-0.2 -2,-0.1 0, 0.0 -1,-0.1 -0.891 10.9-165.5-103.5 122.4 28.6 7.0 59.5 127 154 A L - 0 0 22 -2,-0.6 2,-0.1 1,-0.1 9,-0.0 -0.798 25.9-101.9-106.7 150.6 28.9 10.1 57.4 128 155 A P - 0 0 43 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 -0.343 21.6-126.7 -70.1 148.1 32.0 11.4 55.6 129 156 A K S S+ 0 0 172 1,-0.1 7,-2.1 6,-0.1 2,-0.4 0.814 95.2 34.1 -63.1 -30.2 34.1 14.2 57.1 130 157 A E E +G 135 0A 155 5,-0.2 2,-0.4 20,-0.1 5,-0.2 -0.984 57.1 176.0-132.6 141.2 33.8 16.1 53.9 131 158 A I E > -G 134 0A 3 3,-2.1 3,-2.8 -2,-0.4 -31,-0.0 -0.960 69.0 -47.1-140.6 118.1 31.2 16.5 51.2 132 159 A A T 3 S- 0 0 43 -2,-0.4 -29,-0.1 1,-0.3 -30,-0.0 -0.331 124.7 -20.9 55.2-129.4 31.8 18.9 48.3 133 160 A T T 3 S+ 0 0 86 -3,-0.1 20,-0.7 -30,-0.1 -1,-0.3 0.393 122.5 94.1 -90.1 4.5 33.0 22.1 49.9 134 161 A L E < -GH 131 152A 3 -3,-2.8 -3,-2.1 18,-0.2 2,-0.3 -0.603 51.0-170.2-100.8 159.7 31.5 21.3 53.3 135 162 A G E -GH 130 151A 17 16,-2.4 16,-2.3 -5,-0.2 2,-0.3 -0.979 36.3 -88.6-142.9 154.5 32.9 19.6 56.3 136 163 A I E + H 0 150A 36 -7,-2.1 14,-0.3 -2,-0.3 3,-0.1 -0.475 39.4 172.2 -67.9 124.8 31.6 18.3 59.6 137 164 A W E + 0 0 77 12,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.838 67.8 4.2 -96.4 -48.5 31.5 21.0 62.3 138 165 A K E - H 0 149A 79 11,-1.2 11,-3.1 2,-0.0 -1,-0.4 -0.983 56.4-179.0-140.9 150.3 29.6 19.1 65.0 139 166 A E E + H 0 148A 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.950 9.0 177.5-150.7 125.2 28.3 15.6 65.5 140 167 A K E - H 0 147A 106 7,-2.4 7,-2.7 -2,-0.3 2,-0.5 -0.997 15.2-153.9-135.6 138.9 26.5 14.4 68.6 141 168 A I E + H 0 146A 98 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.946 25.6 155.8-113.5 125.5 24.9 11.1 69.5 142 169 A Y E > - H 0 145A 45 3,-2.2 3,-1.5 -2,-0.5 2,-0.3 -0.976 58.6 -20.8-150.9 137.6 22.0 10.9 71.9 143 170 A G T 3 S- 0 0 62 -2,-0.3 -20,-0.0 1,-0.2 -2,-0.0 -0.512 125.5 -31.4 67.1-128.5 19.3 8.4 72.4 144 171 A I T 3 S+ 0 0 139 -2,-0.3 -21,-0.5 -22,-0.0 2,-0.3 -0.103 124.1 73.5-113.9 34.5 18.9 6.4 69.2 145 172 A S E < -FH 122 142A 19 -3,-1.5 -3,-2.2 -23,-0.2 2,-0.4 -0.939 58.3-149.7-143.5 165.5 20.0 9.2 66.9 146 173 A K E -FH 121 141A 12 -25,-2.6 -25,-2.7 -2,-0.3 2,-0.5 -1.000 7.8-155.0-138.6 136.0 22.9 11.2 65.7 147 174 A V E -FH 120 140A 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.958 11.8-175.1-113.7 126.7 23.0 14.8 64.5 148 175 A T E -FH 119 139A 1 -29,-2.8 -29,-3.5 -2,-0.5 2,-0.5 -0.984 7.2-160.0-122.1 130.1 25.8 15.9 62.1 149 176 A V E -FH 118 138A 0 -11,-3.1 -12,-3.4 -2,-0.4 -11,-1.2 -0.951 4.0-162.6-115.8 124.7 26.2 19.5 61.1 150 177 A Y E +FH 117 136A 0 -33,-3.0 -33,-2.8 -2,-0.5 2,-0.3 -0.812 12.8 174.8-103.5 145.9 28.1 20.4 57.9 151 178 A V E -FH 116 135A 14 -16,-2.3 -16,-2.4 -2,-0.3 -35,-0.1 -0.944 33.0 -94.4-143.9 162.9 29.4 23.9 57.2 152 179 A N E > - H 0 134A 19 -37,-0.5 3,-2.0 -39,-0.4 -18,-0.2 -0.332 42.2-103.8 -75.0 161.2 31.6 25.6 54.6 153 180 A E T 3 S+ 0 0 185 -20,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.809 120.3 51.4 -55.9 -32.7 35.3 26.2 55.2 154 181 A G T 3 S+ 0 0 46 -41,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.205 76.6 143.9 -93.8 19.2 34.8 29.8 56.0 155 182 A H < - 0 0 33 -3,-2.0 2,-0.2 1,-0.1 -41,-0.1 -0.365 49.0-125.0 -61.8 129.6 32.1 29.3 58.6 156 183 A H - 0 0 126 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.466 28.0 -98.3 -77.3 146.0 32.4 31.7 61.5 157 184 A H - 0 0 172 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.209 43.9-120.2 -57.8 152.8 32.8 30.6 65.1 158 185 A H - 0 0 47 1,-0.1 -1,-0.1 -3,-0.1 -148,-0.0 -0.672 17.3-112.6-101.2 155.6 29.5 30.6 67.1 159 186 A H 0 0 91 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.199 360.0 360.0 -72.6 171.0 28.6 32.5 70.2 160 187 A H 0 0 245 -2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.249 360.0 360.0-107.8 360.0 27.9 30.7 73.5 161 !* 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 0.0 162 28 B V > 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 11.0 0.6 50.2 35.1 163 29 B R H > + 0 0 155 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 360.0 44.6 -53.8 -52.4 1.7 48.9 38.5 164 30 B G H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 109.9 57.4 -61.9 -34.4 -0.2 51.7 40.2 165 31 B A H > S+ 0 0 32 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.956 108.0 45.4 -61.2 -52.4 -3.2 51.1 37.9 166 32 B I H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-1.0 0.931 114.4 47.9 -58.0 -48.3 -3.5 47.5 39.0 167 33 B F H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.752 104.3 59.2 -68.6 -22.2 -3.2 48.2 42.7 168 34 B N H 3< S+ 0 0 114 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.715 109.8 48.0 -75.2 -19.1 -5.7 51.1 42.5 169 35 B X H << S+ 0 0 13 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.921 127.7 19.8 -83.3 -50.4 -8.1 48.3 41.3 170 36 B I H < S- 0 0 0 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.603 131.9 -23.3 -98.7 -14.2 -7.4 45.6 43.9 171 37 B G < - 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