==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-APR-10 3MGG . COMPND 2 MOLECULE: METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR B.SYED IBRAHIM,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 499 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 10.0 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 . 1 0.2 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 4.0 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 1 0 6 4 0 2 0 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 2 0 0 2 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 2 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 21 A E > 0 0 72 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-147.8 15.0 37.6 39.0 2 22 A T H > + 0 0 87 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.868 360.0 48.4 -63.9 -34.7 12.9 36.5 36.1 3 23 A L H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.922 113.1 48.4 -70.5 -41.6 11.0 33.9 38.3 4 24 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.921 119.3 39.2 -61.0 -43.3 10.4 36.6 40.9 5 25 A K H X S+ 0 0 146 -4,-2.9 4,-1.6 3,-0.2 5,-0.2 0.884 112.6 56.8 -74.5 -38.2 9.2 39.0 38.3 6 26 A L H < S+ 0 0 36 -4,-3.3 -2,-0.2 -5,-0.3 4,-0.2 0.929 120.8 26.6 -58.8 -46.1 7.3 36.3 36.3 7 27 A L H < S+ 0 0 6 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.782 133.5 27.5 -91.5 -26.7 5.2 35.3 39.3 8 28 A H H >< S+ 0 0 4 -4,-2.0 3,-1.7 -5,-0.3 -3,-0.2 0.553 84.1 98.4-116.3 -6.9 5.0 38.4 41.5 9 29 A H T 3< S+ 0 0 102 -4,-1.6 -3,-0.1 -5,-0.3 -1,-0.1 0.840 92.7 41.6 -50.7 -40.5 5.4 41.5 39.3 10 30 A D T 3 S+ 0 0 52 -5,-0.2 2,-1.5 -4,-0.2 -1,-0.3 0.441 86.7 97.5 -91.2 -0.5 1.6 42.1 39.1 11 31 A T < + 0 0 3 -3,-1.7 2,-0.4 2,-0.0 -1,-0.1 -0.669 47.7 136.5 -91.3 86.0 0.8 41.4 42.7 12 32 A V - 0 0 90 -2,-1.5 25,-0.1 25,-0.0 21,-0.0 -0.977 35.0-161.9-133.9 115.5 0.7 44.9 44.0 13 33 A Y - 0 0 24 -2,-0.4 26,-0.1 1,-0.2 3,-0.1 -0.497 32.9 -82.9 -94.9 164.9 -2.1 46.0 46.3 14 34 A P > - 0 0 78 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.253 61.3 -84.0 -63.1 154.9 -3.3 49.5 47.2 15 35 A P T 3 S+ 0 0 108 0, 0.0 25,-0.2 0, 0.0 22,-0.0 -0.363 115.7 18.8 -62.0 137.9 -1.3 51.3 50.0 16 36 A G T 3 S+ 0 0 40 23,-1.9 24,-0.2 1,-0.3 2,-0.1 0.442 85.4 153.9 83.2 0.4 -2.5 50.3 53.4 17 37 A A < - 0 0 6 -3,-1.7 24,-3.2 1,-0.1 2,-0.8 -0.360 46.0-128.2 -65.6 139.7 -4.3 47.1 52.3 18 38 A K E -a 41 0A 90 22,-0.2 67,-2.0 65,-0.1 68,-1.7 -0.819 35.1-173.2 -90.6 110.9 -4.6 44.4 55.0 19 39 A V E -ab 42 86A 1 22,-2.5 24,-3.3 -2,-0.8 2,-0.6 -0.915 17.4-155.8-115.6 131.4 -3.2 41.3 53.3 20 40 A L E -ab 43 87A 0 66,-2.2 68,-2.9 -2,-0.4 2,-0.8 -0.915 5.1-156.9-104.8 120.6 -3.2 37.7 54.6 21 41 A E E > -ab 44 88A 6 22,-3.1 24,-2.4 -2,-0.6 3,-0.6 -0.886 13.1-152.8 -96.9 108.0 -0.5 35.4 53.3 22 42 A A T 3 S+ 0 0 2 66,-1.8 2,-0.3 -2,-0.8 -1,-0.2 0.864 76.6 6.8 -47.6 -59.9 -2.0 31.9 53.8 23 43 A G T 3 + 0 0 24 65,-0.3 -1,-0.2 1,-0.1 23,-0.2 -0.665 63.5 170.4-134.7 83.0 1.0 29.7 54.2 24 44 A C X + 0 0 5 21,-2.0 3,-2.8 -3,-0.6 4,-0.4 0.661 16.6 177.3 -65.7 -19.6 4.2 31.7 54.2 25 45 A G T 3 S- 0 0 19 20,-0.4 30,-0.3 1,-0.3 -1,-0.2 -0.284 72.5 -4.6 53.8-122.1 6.4 28.7 55.2 26 46 A I T 3 S- 0 0 77 28,-0.1 -1,-0.3 29,-0.1 32,-0.2 0.324 103.3-103.9 -85.1 5.5 10.0 29.8 55.4 27 47 A G S <> S+ 0 0 0 -3,-2.8 4,-2.0 31,-0.1 5,-0.2 0.597 77.2 137.6 83.4 10.9 9.2 33.4 54.1 28 48 A A H > S+ 0 0 48 -4,-0.4 4,-0.6 1,-0.2 -3,-0.1 0.897 84.2 27.9 -56.3 -44.6 10.5 32.8 50.6 29 49 A Q H > S+ 0 0 41 -5,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.698 110.5 71.8 -89.9 -21.2 7.5 34.6 49.0 30 50 A T H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.938 96.4 51.2 -58.3 -47.9 6.9 36.8 52.1 31 51 A V H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.914 113.6 44.0 -56.1 -45.7 10.1 38.8 51.3 32 52 A I H X S+ 0 0 21 -4,-0.6 4,-2.0 -5,-0.2 -1,-0.2 0.921 114.1 49.7 -65.7 -45.6 9.0 39.4 47.7 33 53 A L H X S+ 0 0 1 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.907 113.1 47.2 -60.1 -43.8 5.4 40.3 48.7 34 54 A A H < S+ 0 0 2 -4,-2.9 6,-0.2 -5,-0.2 -1,-0.2 0.876 111.2 49.4 -67.8 -40.7 6.6 42.7 51.3 35 55 A K H < S+ 0 0 106 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.844 113.1 47.4 -69.3 -31.9 9.1 44.5 49.0 36 56 A N H < S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.751 123.1 35.6 -78.1 -23.8 6.5 44.9 46.3 37 57 A N >< + 0 0 5 -4,-1.3 3,-1.7 -5,-0.2 -1,-0.3 -0.551 65.2 160.2-130.4 67.4 4.0 46.2 48.9 38 58 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.746 80.0 47.6 -59.0 -28.0 5.9 48.3 51.5 39 59 A D T 3 S+ 0 0 111 -26,-0.1 -23,-1.9 -3,-0.1 2,-0.2 0.318 89.6 103.5 -99.9 8.4 2.7 50.0 52.6 40 60 A A S < S- 0 0 5 -3,-1.7 2,-0.9 -6,-0.2 -22,-0.2 -0.522 73.0-126.8 -86.7 158.6 0.6 46.9 53.0 41 61 A E E -a 18 0A 119 -24,-3.2 -22,-2.5 -2,-0.2 2,-0.5 -0.895 35.6-163.6-103.8 98.4 -0.2 45.5 56.4 42 62 A I E -ac 19 67A 4 24,-2.1 26,-2.5 -2,-0.9 2,-0.6 -0.754 16.9-171.0 -95.7 126.4 0.8 41.9 55.9 43 63 A T E -ac 20 68A 25 -24,-3.3 -22,-3.1 -2,-0.5 2,-0.5 -0.970 12.2-167.7-110.9 117.7 -0.2 39.1 58.2 44 64 A S E -ac 21 69A 0 24,-2.8 26,-2.2 -2,-0.6 2,-0.3 -0.937 6.7-172.9-113.1 120.7 1.7 35.9 57.3 45 65 A I E + c 0 70A 0 -24,-2.4 -21,-2.0 -2,-0.5 -20,-0.4 -0.771 13.3 165.7-114.8 158.0 0.5 32.6 58.8 46 66 A D E - c 0 71A 26 24,-1.2 26,-1.6 -2,-0.3 -23,-0.1 -0.956 40.8-124.5-160.4 151.7 1.8 29.1 58.9 47 67 A I S S+ 0 0 96 -2,-0.3 24,-0.1 24,-0.2 26,-0.1 0.750 92.0 75.1 -71.8 -23.6 0.9 26.0 61.0 48 68 A S > - 0 0 35 1,-0.1 4,-2.0 24,-0.1 5,-0.2 -0.814 59.6-161.5-104.3 122.2 4.5 25.7 62.1 49 69 A P H > S+ 0 0 87 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.848 96.4 56.0 -61.4 -35.0 6.3 27.8 64.7 50 70 A E H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.909 107.3 46.8 -65.8 -42.7 9.7 26.6 63.3 51 71 A S H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 110.9 54.2 -64.2 -39.5 8.9 27.8 59.8 52 72 A L H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.821 105.2 53.1 -63.5 -32.7 7.7 31.1 61.3 53 73 A E H X S+ 0 0 106 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.898 110.7 46.1 -70.4 -39.5 11.0 31.5 63.1 54 74 A K H X S+ 0 0 97 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.841 111.9 52.3 -70.8 -31.8 13.0 31.0 59.8 55 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -30,-0.3 -2,-0.2 0.890 107.2 52.4 -69.9 -39.4 10.6 33.4 58.0 56 76 A R H X S+ 0 0 105 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.929 109.3 48.8 -61.5 -45.6 11.1 36.1 60.7 57 77 A E H X S+ 0 0 120 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.869 110.4 53.0 -62.1 -35.8 14.9 35.8 60.2 58 78 A N H X S+ 0 0 33 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.927 112.1 42.8 -66.0 -46.6 14.4 36.1 56.5 59 79 A T H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.3 0.871 114.2 50.6 -69.9 -35.6 12.3 39.3 56.7 60 80 A E H ><5S+ 0 0 79 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.911 105.6 57.0 -66.6 -40.4 14.7 40.8 59.3 61 81 A K H 3<5S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.8 45.1 -59.7 -25.7 17.6 40.0 57.1 62 82 A N T 3<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.233 114.3-116.3-104.0 11.8 15.8 42.1 54.4 63 83 A G T < 5 + 0 0 56 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.722 55.2 164.5 61.4 24.2 14.9 44.9 56.7 64 84 A I < + 0 0 12 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.553 15.5 173.2 -76.1 135.6 11.2 44.3 56.3 65 85 A K + 0 0 188 -2,-0.3 -1,-0.1 -27,-0.1 -5,-0.0 0.456 61.8 69.4-121.2 -5.4 9.0 46.1 58.8 66 86 A N S S+ 0 0 35 -25,-0.0 -24,-2.1 2,-0.0 2,-0.5 0.107 75.4 95.2-107.3 25.5 5.4 45.5 57.7 67 87 A V E -c 42 0A 6 -26,-0.1 2,-0.5 -3,-0.1 -24,-0.2 -0.958 48.1-166.9-121.7 128.7 5.0 41.7 58.3 68 88 A K E -c 43 0A 146 -26,-2.5 -24,-2.8 -2,-0.5 2,-0.6 -0.962 14.7-149.0-111.1 122.2 3.5 40.1 61.3 69 89 A F E +c 44 0A 37 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.827 20.8 178.5 -95.5 117.5 4.1 36.3 61.6 70 90 A L E -c 45 0A 65 -26,-2.2 -24,-1.2 -2,-0.6 2,-0.5 -0.940 30.5-126.3-121.8 139.7 1.3 34.4 63.3 71 91 A Q E +c 46 0A 104 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.734 50.7 149.8 -81.7 125.5 0.9 30.7 63.9 72 92 A A - 0 0 8 -26,-1.6 2,-0.5 -2,-0.5 5,-0.1 -0.991 45.0-126.6-156.7 158.6 -2.5 29.7 62.5 73 93 A N > - 0 0 59 3,-0.5 3,-2.3 -2,-0.3 -2,-0.0 -0.941 15.7-144.2-112.1 119.3 -4.5 26.8 61.0 74 94 A I G > S+ 0 0 22 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.815 101.3 52.4 -49.9 -36.7 -6.2 27.5 57.6 75 95 A F G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.1 27,-0.0 0.524 122.6 28.2 -80.9 -5.9 -9.2 25.2 58.6 76 96 A S G < S- 0 0 83 -3,-2.3 -3,-0.5 0, 0.0 -1,-0.3 -0.381 82.2-176.7-151.9 62.4 -9.7 27.0 61.9 77 97 A L < - 0 0 31 -3,-0.6 -3,-0.1 -5,-0.1 -5,-0.1 -0.317 23.1-146.2 -65.3 145.1 -8.6 30.6 61.5 78 98 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.619 64.9 106.7 -86.5 -15.0 -8.7 32.9 64.6 79 99 A F S S- 0 0 40 1,-0.1 3,-0.1 0, 0.0 2,-0.1 -0.254 78.5-101.6 -70.9 151.1 -9.5 36.0 62.6 80 100 A E > - 0 0 159 1,-0.1 3,-0.6 29,-0.1 4,-0.2 -0.387 48.9 -96.3 -66.0 147.3 -12.9 37.8 62.5 81 101 A D T 3 S+ 0 0 99 1,-0.2 28,-0.3 2,-0.1 -1,-0.1 -0.335 105.8 14.5 -64.7 148.9 -14.8 37.1 59.3 82 102 A S T 3 S+ 0 0 47 26,-2.1 -1,-0.2 28,-0.3 28,-0.2 0.895 88.6 123.3 52.1 51.5 -14.5 39.7 56.6 83 103 A S < + 0 0 30 26,-1.8 2,-0.3 -3,-0.6 27,-0.2 0.592 49.6 74.1-113.9 -16.6 -11.4 41.4 58.1 84 104 A F E - d 0 110A 11 25,-2.4 27,-2.9 -4,-0.2 -65,-0.2 -0.779 61.0-151.0-102.9 146.0 -8.8 41.2 55.3 85 105 A D E S+ 0 0 39 -67,-2.0 30,-1.1 -2,-0.3 2,-0.3 0.852 83.1 2.7 -78.2 -34.2 -8.7 43.3 52.1 86 106 A H E -bd 19 115A 31 -68,-1.7 -66,-2.2 28,-0.2 2,-0.4 -0.982 61.5-143.7-150.6 156.5 -6.9 40.5 50.2 87 107 A I E -bd 20 116A 0 28,-2.4 30,-1.8 -2,-0.3 2,-0.5 -0.959 11.4-158.5-123.5 141.4 -5.6 37.0 50.6 88 108 A F E -bd 21 117A 0 -68,-2.9 -66,-1.8 -2,-0.4 2,-0.5 -0.979 9.4-177.8-125.1 119.2 -2.4 35.7 49.0 89 109 A V E + d 0 118A 0 28,-3.4 30,-2.2 -2,-0.5 2,-0.4 -0.968 6.5 170.1-119.3 122.5 -1.9 31.9 48.4 90 110 A C E - d 0 119A 9 -2,-0.5 30,-0.2 28,-0.2 -61,-0.1 -0.955 68.4 -17.4-139.4 118.9 1.3 30.6 46.9 91 111 A F S S+ 0 0 53 28,-2.8 29,-0.1 -2,-0.4 -1,-0.1 0.872 103.5 107.4 58.1 42.8 2.4 26.9 46.8 92 112 A V > + 0 0 16 27,-0.3 3,-1.7 2,-0.1 4,-0.3 0.751 63.2 58.3-113.0 -44.4 -0.1 25.9 49.4 93 113 A L G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 27,-0.1 0.777 93.3 70.7 -61.5 -28.5 -2.8 24.0 47.6 94 114 A E G 3 S+ 0 0 31 1,-0.3 58,-3.2 57,-0.1 -1,-0.3 0.685 100.8 46.2 -62.7 -19.0 -0.3 21.5 46.2 95 115 A H G < S+ 0 0 119 -3,-1.7 2,-0.4 56,-0.3 -1,-0.3 0.447 96.2 92.6-102.8 -2.4 0.1 20.1 49.8 96 116 A L < - 0 0 35 -3,-1.3 4,-0.1 -4,-0.3 54,-0.1 -0.747 55.1-161.7 -99.1 138.5 -3.6 19.9 50.6 97 117 A Q S S+ 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.652 99.8 37.3 -87.0 -13.3 -5.9 16.9 50.1 98 118 A S > + 0 0 46 1,-0.1 4,-1.5 2,-0.1 -1,-0.3 -0.508 67.0 153.9-135.0 65.5 -8.8 19.2 50.3 99 119 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.850 72.4 61.8 -61.1 -37.7 -7.8 22.5 48.6 100 120 A E H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.925 105.9 45.2 -55.4 -48.2 -11.4 23.3 47.8 101 121 A E H > S+ 0 0 87 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.847 108.3 57.4 -67.3 -33.3 -12.3 23.5 51.5 102 122 A A H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.906 107.0 48.9 -63.0 -41.0 -9.2 25.5 52.3 103 123 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.879 110.2 50.6 -66.1 -38.7 -10.3 28.2 49.8 104 124 A K H X S+ 0 0 78 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.895 110.1 50.9 -65.7 -39.9 -13.8 28.3 51.3 105 125 A S H >X S+ 0 0 20 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.934 111.1 47.1 -62.6 -47.0 -12.3 28.7 54.7 106 126 A L H >X S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.856 102.9 63.8 -63.4 -35.2 -10.1 31.6 53.6 107 127 A K H >< S+ 0 0 50 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.842 92.9 65.7 -59.2 -32.0 -13.0 33.2 51.8 108 128 A K H << S+ 0 0 118 -4,-1.1 -26,-2.1 -3,-0.7 -1,-0.2 0.863 103.7 42.2 -58.9 -40.4 -14.7 33.6 55.3 109 129 A V H << S+ 0 0 3 -3,-0.8 -25,-2.4 -4,-0.6 -26,-1.8 0.463 95.6 99.6 -89.1 0.8 -12.1 36.0 56.6 110 130 A L E << S-d 84 0A 0 -3,-1.0 -28,-0.3 -4,-0.5 -25,-0.2 -0.670 78.6-115.1 -87.9 139.8 -11.9 38.0 53.3 111 131 A K E > - 0 0 69 -27,-2.9 3,-3.2 -2,-0.3 135,-0.3 -0.445 39.9 -91.7 -72.8 144.7 -13.9 41.3 53.0 112 132 A P E 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.329 119.6 21.8 -55.3 130.6 -16.8 41.4 50.6 113 133 A G E 3 S+ 0 0 52 133,-2.0 -2,-0.1 1,-0.3 2,-0.0 0.357 99.8 124.6 90.8 -7.2 -15.3 42.8 47.4 114 134 A G E < - 0 0 6 -3,-3.2 132,-2.3 -30,-0.1 -1,-0.3 -0.277 53.3-126.8 -79.3 171.9 -11.8 41.6 48.4 115 135 A T E -dE 86 245A 34 -30,-1.1 -28,-2.4 130,-0.2 2,-0.4 -0.851 9.0-150.6-124.8 158.6 -9.7 39.4 46.3 116 136 A I E -dE 87 244A 0 128,-2.3 128,-1.9 -2,-0.3 2,-0.4 -0.961 12.0-159.6-122.3 139.7 -7.7 36.1 46.6 117 137 A T E -dE 88 243A 2 -30,-1.8 -28,-3.4 -2,-0.4 2,-0.4 -0.987 8.7-170.0-121.4 132.2 -4.6 35.4 44.6 118 138 A V E -dE 89 242A 0 124,-2.9 124,-2.9 -2,-0.4 2,-0.4 -0.988 8.5-179.1-128.0 132.8 -3.4 31.9 44.1 119 139 A I E +dE 90 241A 0 -30,-2.2 -28,-2.8 -2,-0.4 -27,-0.3 -0.994 14.6 157.8-131.2 123.7 -0.2 30.7 42.5 120 140 A E E - E 0 240A 0 120,-2.0 120,-2.8 -2,-0.4 2,-0.1 -0.990 31.8-128.3-143.8 149.1 0.6 27.0 42.2 121 141 A G E - E 0 239A 5 -2,-0.3 35,-1.6 118,-0.2 2,-0.3 -0.319 11.3-145.8 -87.7 178.5 2.9 25.0 40.0 122 142 A D > - 0 0 0 116,-0.9 3,-2.3 33,-0.2 116,-0.5 -0.781 4.8-165.1-148.3 97.8 1.9 22.0 37.9 123 143 A H G > S+ 0 0 11 30,-2.5 3,-1.1 1,-0.3 31,-0.2 0.683 87.0 69.3 -58.1 -19.4 4.6 19.3 37.6 124 144 A G G 3 S+ 0 0 29 29,-0.3 -1,-0.3 1,-0.2 30,-0.1 0.569 89.3 63.0 -76.8 -8.3 2.6 17.8 34.7 125 145 A S G < S+ 0 0 0 -3,-2.3 2,-0.5 113,-0.2 -1,-0.2 0.470 79.9 111.6 -91.6 -4.0 3.5 20.8 32.6 126 146 A C < + 0 0 17 -3,-1.1 2,-0.3 -4,-0.2 111,-0.2 -0.598 33.9 144.3 -81.4 121.6 7.2 20.0 32.8 127 147 A Y E +F 236 0A 13 109,-1.7 109,-2.2 -2,-0.5 2,-0.3 -0.965 17.1 176.1-146.6 160.7 9.0 18.8 29.6 128 148 A F E -F 235 0A 5 -2,-0.3 107,-0.2 107,-0.2 281,-0.1 -0.938 25.2 -78.3-157.5 176.7 12.5 19.3 28.2 129 149 A H E S+F 234 0A 33 105,-2.7 105,-2.0 -2,-0.3 2,-0.2 -0.999 105.0 38.1-139.8 132.6 15.1 18.6 25.5 130 150 A P S S- 0 0 52 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.553 89.6-138.8 -67.2 155.7 16.8 16.3 25.2 131 151 A E - 0 0 66 -2,-0.2 2,-0.2 -4,-0.0 -2,-0.1 -0.543 23.5-167.9 -87.5 70.8 13.9 14.0 26.3 132 152 A G > - 0 0 12 -2,-1.6 4,-2.4 92,-0.2 5,-0.2 -0.414 18.4-147.2 -64.2 125.7 15.9 11.6 28.5 133 153 A K H > S+ 0 0 164 1,-0.2 4,-1.5 -2,-0.2 -1,-0.2 0.841 101.4 46.1 -61.8 -32.9 13.8 8.5 29.4 134 154 A K H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 87,-0.3 0.831 109.5 53.5 -78.2 -34.9 15.6 8.3 32.7 135 155 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 110.0 49.5 -64.4 -40.8 15.2 12.0 33.4 136 156 A I H X S+ 0 0 65 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.887 109.8 50.7 -65.5 -40.2 11.5 11.7 32.8 137 157 A E H X S+ 0 0 80 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.928 111.3 47.5 -64.1 -45.1 11.3 8.7 35.2 138 158 A A H >X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 3,-0.7 0.910 111.8 50.8 -62.9 -41.9 13.1 10.6 37.9 139 159 A W H >X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.2 3,-0.6 0.900 107.2 53.8 -62.9 -39.2 10.8 13.6 37.4 140 160 A N H 3X S+ 0 0 79 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.691 97.7 65.1 -69.4 -17.4 7.8 11.4 37.6 141 161 A C H S+ 0 0 26 -4,-2.3 5,-2.5 -5,-0.2 -1,-0.2 0.899 111.7 50.5 -61.2 -38.3 3.8 13.9 46.4 147 167 A A H ><5S+ 0 0 55 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.909 108.8 51.0 -65.1 -42.3 0.6 12.1 45.4 148 168 A Y H 3<5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.894 104.8 57.6 -61.9 -38.1 1.4 9.3 47.8 149 169 A X T 3<5S- 0 0 120 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.288 124.7-107.0 -76.5 13.0 1.9 11.9 50.5 150 170 A K T < 5S+ 0 0 132 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.793 85.5 112.4 66.9 30.9 -1.7 13.1 49.8 151 171 A G < - 0 0 14 -5,-2.5 -56,-0.3 -6,-0.1 2,-0.2 -0.474 61.5-131.9-113.6-170.8 -0.6 16.3 48.0 152 172 A N > - 0 0 46 -58,-3.2 3,-1.6 -2,-0.2 -56,-0.1 -0.719 17.5-176.9-152.4 97.7 -1.1 17.1 44.3 153 173 A S T 3 S+ 0 0 4 -10,-0.3 -30,-2.5 1,-0.3 3,-0.3 0.550 88.3 60.6 -69.8 -7.4 1.8 18.5 42.4 154 174 A L T > S+ 0 0 32 -32,-0.3 3,-0.6 -31,-0.2 -1,-0.3 0.170 70.6 109.0-104.1 16.5 -0.6 18.8 39.4 155 175 A V G X + 0 0 1 -3,-1.6 3,-1.9 1,-0.2 4,-0.2 0.757 56.3 79.8 -66.2 -26.3 -3.0 21.2 41.2 156 176 A G G > S+ 0 0 0 -35,-1.6 3,-2.0 -3,-0.3 4,-0.2 0.887 86.5 55.8 -48.8 -49.2 -2.0 24.3 39.1 157 177 A R G < S+ 0 0 13 -3,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.690 105.4 56.8 -60.0 -17.6 -4.2 23.3 36.1 158 178 A Q G <> + 0 0 28 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.3 0.338 69.7 106.0 -95.7 3.0 -7.2 23.2 38.5 159 179 A I H <> S+ 0 0 2 -3,-2.0 4,-2.5 -4,-0.2 5,-0.2 0.898 77.9 54.0 -53.4 -41.8 -7.1 26.7 39.9 160 180 A Y H > S+ 0 0 28 -3,-0.3 4,-2.5 -4,-0.2 5,-0.2 0.973 112.3 39.8 -59.0 -59.2 -10.1 27.9 37.9 161 181 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.842 114.4 55.7 -61.7 -28.7 -12.6 25.2 38.9 162 182 A L H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.928 111.4 42.9 -67.2 -43.4 -11.3 25.2 42.5 163 183 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 -1,-0.2 0.855 115.1 51.0 -68.8 -34.3 -12.0 29.0 42.8 164 184 A Q H ><5S+ 0 0 72 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.924 110.6 47.0 -70.1 -43.9 -15.3 28.5 41.0 165 185 A E H 3<5S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.4 58.2 -66.5 -32.1 -16.4 25.7 43.4 166 186 A S T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.411 120.6-106.8 -80.3 4.0 -15.4 27.7 46.4 167 187 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.637 64.1 150.2 86.2 15.9 -17.7 30.5 45.4 168 188 A F < - 0 0 11 -5,-2.2 3,-0.2 78,-0.1 -1,-0.2 -0.492 29.8-148.7 -81.6 153.5 -15.4 33.3 44.1 169 189 A E E S+G 245 0A 120 76,-3.2 76,-2.6 1,-0.2 -1,-0.0 -0.677 71.1 31.7-115.2 171.0 -16.6 35.7 41.4 170 190 A K E S- 0 0 160 -2,-0.2 -1,-0.2 74,-0.2 2,-0.2 0.884 83.7-173.4 48.6 44.6 -14.8 37.6 38.5 171 191 A I E + 0 0 27 -3,-0.2 2,-0.3 73,-0.1 73,-0.2 -0.464 14.1 174.0 -76.2 139.7 -12.4 34.6 38.3 172 192 A R E -G 243 0A 120 71,-1.9 71,-2.6 -2,-0.2 2,-0.4 -0.995 6.8-177.4-144.5 136.1 -9.4 34.8 36.0 173 193 A V E +G 242 0A 7 -2,-0.3 69,-0.2 69,-0.2 258,-0.1 -0.998 5.3 174.6-135.7 136.3 -6.5 32.3 35.6 174 194 A E E -G 241 0A 67 67,-2.4 67,-2.6 -2,-0.4 2,-0.1 -0.995 29.9-114.4-142.0 147.7 -3.5 32.6 33.4 175 195 A P E -G 240 0A 29 0, 0.0 2,-0.5 0, 0.0 65,-0.2 -0.483 15.6-158.9 -79.0 152.8 -0.4 30.5 32.9 176 196 A R E -G 239 0A 15 63,-3.0 63,-2.5 -2,-0.1 2,-0.3 -0.913 22.5-162.4-131.8 98.4 3.1 31.9 33.9 177 197 A X E -G 238 0A 25 -2,-0.5 2,-0.7 61,-0.2 61,-0.2 -0.668 19.4-150.1 -95.4 143.5 5.5 29.8 32.0 178 198 A V E -G 237 0A 4 59,-3.5 59,-1.8 -2,-0.3 2,-0.5 -0.923 22.6-179.8-106.5 104.7 9.3 29.3 32.5 179 199 A Y E -G 236 0A 7 -2,-0.7 2,-0.4 57,-0.2 57,-0.2 -0.940 6.6-171.9-109.5 127.5 10.8 28.7 29.0 180 200 A I E +G 235 0A 1 55,-3.1 55,-2.1 -2,-0.5 2,-0.3 -0.956 17.2 153.7-128.9 137.1 14.5 28.1 29.0 181 201 A D > - 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