==== 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-JUN-04 1TV3 . COMPND 2 MOLECULE: MONOMETHYLAMINE METHYLTRANSFERASE MTMB1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR B.HAO,G.ZHAO,P.T.KANG,J.A.SOARES,T.K.FERGUSON,J.GALLUCCI,J.A . 457 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 1 1 0 0 2 1 0 2 1 1 0 0 3 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 3 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 1 0 0 0 1 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 2 A T 0 0 153 0, 0.0 2,-0.1 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 170.2 9.1 59.2 76.2 2 3 A F - 0 0 57 86,-0.2 3,-0.1 1,-0.1 85,-0.0 -0.432 360.0-132.9 -79.8 154.2 10.7 60.7 79.3 3 4 A R S S- 0 0 200 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.951 83.6 -18.8 -70.3 -50.0 10.1 59.4 82.8 4 5 A K S S- 0 0 70 -3,-0.0 -1,-0.3 3,-0.0 2,-0.1 -0.973 85.1 -78.2-152.7 158.1 9.5 62.8 84.3 5 6 A S - 0 0 63 -2,-0.3 2,-0.1 -3,-0.1 84,-0.1 -0.443 62.4-108.7 -60.7 130.1 10.2 66.4 83.3 6 7 A F + 0 0 13 83,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.377 49.5 162.4 -66.9 136.5 13.9 66.9 84.2 7 8 A D >> - 0 0 29 -2,-0.1 4,-2.1 -3,-0.1 3,-0.7 -0.866 55.6 -81.8-143.9 177.5 14.8 69.1 87.2 8 9 A C H 3> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.754 124.6 58.3 -55.1 -27.1 17.6 69.9 89.6 9 10 A Y H 3> S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 105.5 47.2 -72.2 -40.9 16.7 66.8 91.7 10 11 A D H <> S+ 0 0 5 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.898 110.0 55.7 -64.9 -39.4 17.2 64.4 88.7 11 12 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.935 107.4 47.5 -58.1 -48.7 20.5 66.2 88.1 12 13 A Y H X S+ 0 0 101 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.939 111.7 51.3 -57.3 -49.5 21.7 65.5 91.6 13 14 A D H >X S+ 0 0 90 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.953 115.2 41.2 -52.0 -55.1 20.6 61.9 91.3 14 15 A R H >X S+ 0 0 57 -4,-2.9 4,-1.2 1,-0.2 3,-0.6 0.815 106.0 63.7 -65.9 -32.1 22.4 61.4 88.1 15 16 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.731 101.4 53.0 -66.0 -21.3 25.5 63.3 89.2 16 17 A K H << S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.736 122.1 26.0 -86.6 -23.1 26.2 60.7 91.9 17 18 A V H << S+ 0 0 115 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.1 0.282 93.7 118.2-123.6 10.5 26.1 57.7 89.6 18 19 A G S < S- 0 0 15 -4,-1.2 65,-0.2 1,-0.2 2,-0.1 -0.124 79.2 -60.3 -73.3 173.8 27.1 59.0 86.2 19 20 A E E -A 82 0A 120 63,-0.6 63,-1.7 62,-0.1 -1,-0.2 -0.313 57.8-120.2 -56.7 126.0 30.2 58.1 84.1 20 21 A K E +A 81 0A 155 61,-0.2 2,-0.3 -3,-0.1 61,-0.2 -0.429 45.1 160.7 -67.9 143.8 33.4 58.8 86.0 21 22 A C - 0 0 13 59,-2.2 2,-0.1 -2,-0.1 0, 0.0 -0.940 38.3-118.3-166.4 138.7 35.6 61.3 84.2 22 23 A T > - 0 0 74 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.451 30.1-119.4 -77.2 157.4 38.5 63.6 85.1 23 24 A Q H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.811 115.3 54.9 -68.3 -27.2 37.9 67.3 84.5 24 25 A D H > S+ 0 0 102 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.898 103.0 54.9 -70.3 -40.4 40.8 67.4 82.1 25 26 A D H >>S+ 0 0 70 1,-0.2 5,-2.8 2,-0.2 4,-0.5 0.859 115.0 42.0 -59.0 -34.6 39.2 64.6 80.0 26 27 A W H <>S+ 0 0 0 -4,-1.3 5,-2.4 3,-0.2 -2,-0.2 0.956 122.8 35.2 -77.1 -53.3 36.2 66.9 79.9 27 28 A D H <5S+ 0 0 4 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.857 127.0 35.5 -71.0 -39.5 37.9 70.2 79.2 28 29 A L H <5S+ 0 0 116 -4,-3.3 -1,-0.2 -5,-0.2 -3,-0.2 0.472 134.9 8.7 -97.2 -2.2 40.7 69.0 77.0 29 30 A M T X5S+ 0 0 79 -4,-0.5 4,-2.4 -5,-0.4 5,-0.3 0.517 119.3 46.1-137.9 -68.0 39.0 66.2 75.1 30 31 A K H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.852 114.0 52.8 -58.0 -34.6 36.6 70.4 72.2 33 34 A M H X S+ 0 0 118 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.941 111.9 44.0 -65.8 -47.4 36.3 67.1 70.2 34 35 A K H X S+ 0 0 36 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.906 113.3 50.4 -64.9 -43.1 32.5 67.4 70.0 35 36 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 114.7 45.3 -60.6 -42.9 32.5 71.1 69.2 36 37 A M H X S+ 0 0 127 -4,-2.0 4,-1.8 -5,-0.3 5,-0.2 0.924 113.8 49.3 -64.6 -47.6 35.0 70.4 66.4 37 38 A E H X S+ 0 0 98 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.929 113.6 44.4 -59.1 -50.0 33.1 67.4 65.2 38 39 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 6,-0.3 0.846 108.5 57.7 -67.7 -34.0 29.7 69.1 65.0 39 40 A K H <>S+ 0 0 59 -4,-1.9 5,-2.2 -5,-0.3 4,-0.2 0.937 115.7 35.9 -61.6 -45.8 31.1 72.3 63.4 40 41 A Q H ><5S+ 0 0 149 -4,-1.8 3,-1.1 3,-0.2 -2,-0.2 0.922 113.8 56.9 -73.3 -45.1 32.5 70.2 60.5 41 42 A K H 3<5S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.907 118.4 33.5 -51.9 -46.2 29.6 67.8 60.4 42 43 A Y T 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.395 105.7-128.7 -91.7 1.5 27.1 70.7 59.9 43 44 A G T < 5 - 0 0 39 -3,-1.1 -3,-0.2 -4,-0.2 2,-0.2 0.859 34.5-168.6 53.9 40.9 29.6 72.8 57.9 44 45 A L < + 0 0 7 -5,-2.2 2,-0.3 -6,-0.3 -1,-0.2 -0.414 17.4 161.7 -66.0 130.8 29.0 75.8 60.1 45 46 A D - 0 0 80 -2,-0.2 12,-0.1 226,-0.1 -1,-0.0 -0.853 23.9-169.3-153.2 109.2 30.5 79.0 58.7 46 47 A F > - 0 0 1 -2,-0.3 3,-2.2 6,-0.0 -1,-0.1 0.580 26.4-147.8 -78.5 -9.9 29.4 82.4 59.9 47 48 A K T 3 - 0 0 141 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 0.825 62.2 -58.1 44.9 46.6 31.2 84.2 57.1 48 49 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.479 98.5 138.7 69.8 2.6 32.1 87.3 59.1 49 50 A E < - 0 0 57 -3,-2.2 -1,-0.2 1,-0.1 267,-0.1 -0.611 42.1-161.9 -84.2 140.9 28.5 88.2 60.0 50 51 A F S S+ 0 0 3 1,-0.3 266,-0.2 -2,-0.3 -1,-0.1 0.872 87.8 29.9 -82.3 -42.5 27.6 89.4 63.4 51 52 A I S S- 0 0 0 346,-0.2 -1,-0.3 264,-0.1 265,-0.1 -0.980 91.0-126.5-122.5 121.6 23.9 88.6 62.9 52 53 A P + 0 0 4 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.299 29.6 172.1 -68.9 147.1 22.8 85.7 60.6 53 54 A T + 0 0 84 1,-0.0 2,-1.1 -2,-0.0 3,-0.1 0.432 60.2 93.7-124.2 -17.1 20.4 86.0 57.7 54 55 A D > - 0 0 64 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.686 54.4-173.2 -83.0 97.9 21.0 82.5 56.4 55 56 A K H > S+ 0 0 124 -2,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.794 81.3 58.5 -64.1 -30.0 18.3 80.4 58.1 56 57 A D H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 108.8 45.0 -63.7 -44.9 19.6 77.1 56.8 57 58 A M H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.899 112.4 53.0 -65.0 -40.3 22.9 77.8 58.5 58 59 A M H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 107.4 50.6 -61.8 -44.2 21.1 78.9 61.6 59 60 A E H X S+ 0 0 79 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 109.0 51.6 -62.7 -37.9 19.1 75.7 61.7 60 61 A K H X S+ 0 0 73 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.895 108.7 51.6 -65.6 -38.2 22.3 73.7 61.4 61 62 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.911 109.2 50.3 -63.6 -42.1 23.7 75.7 64.4 62 63 A F H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 111.7 47.0 -61.5 -48.0 20.6 74.9 66.4 63 64 A K H X S+ 0 0 99 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.873 111.7 52.5 -61.5 -37.1 20.9 71.2 65.7 64 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 110.9 45.8 -64.2 -47.8 24.6 71.3 66.5 65 66 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.908 114.1 48.7 -62.1 -42.6 24.0 72.9 69.9 66 67 A F H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.943 113.1 47.3 -61.7 -48.3 21.2 70.5 70.7 67 68 A E H X S+ 0 0 22 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.850 107.8 56.9 -62.9 -36.7 23.3 67.5 69.6 68 69 A M H X>S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.6 0.943 110.8 42.6 -59.8 -49.2 26.3 68.8 71.7 69 70 A L H X5S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 16,-0.3 0.915 116.8 48.8 -63.7 -43.6 24.2 68.9 74.9 70 71 A L H <5S+ 0 0 37 -4,-2.4 15,-0.3 -5,-0.2 -2,-0.2 0.901 118.2 36.9 -64.0 -45.3 22.6 65.5 74.1 71 72 A E H <5S+ 0 0 67 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.825 126.6 34.1 -81.3 -32.7 25.8 63.6 73.3 72 73 A C H <5S- 0 0 11 -4,-2.3 -3,-0.2 -5,-0.3 2,-0.2 0.918 85.4-168.6 -87.6 -50.0 28.1 65.2 75.9 73 74 A G << - 0 0 0 -4,-1.4 2,-0.4 -5,-0.6 11,-0.2 -0.519 37.5 -54.7 89.1-163.0 25.9 65.9 78.8 74 75 A I E -B 83 0A 0 9,-2.7 9,-3.2 -2,-0.2 2,-0.5 -0.962 42.9-134.0-122.9 135.6 26.9 68.0 81.8 75 76 A Y E -Bc 82 236A 0 160,-2.3 162,-2.4 -2,-0.4 2,-0.7 -0.723 12.6-150.4 -87.7 127.9 30.0 67.6 83.9 76 77 A C E >> -Bc 81 237A 0 5,-2.7 4,-1.9 -2,-0.5 5,-0.9 -0.877 2.7-160.4-100.7 110.4 29.5 67.8 87.7 77 78 A T T 45S+ 0 0 28 160,-1.9 161,-0.2 -2,-0.7 -1,-0.1 0.817 86.3 53.7 -58.2 -36.2 32.6 69.2 89.3 78 79 A D T 45S+ 0 0 84 159,-0.4 -1,-0.2 1,-0.2 160,-0.1 0.900 121.4 27.5 -68.5 -43.4 31.8 67.9 92.8 79 80 A T T 45S- 0 0 30 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.556 95.9-134.2 -96.0 -10.6 31.2 64.3 91.9 80 81 A H T <5 + 0 0 99 -4,-1.9 -59,-2.2 1,-0.2 2,-0.3 0.872 66.3 120.2 57.4 38.4 33.5 64.2 88.9 81 82 A R E < -AB 20 76A 63 -5,-0.9 -5,-2.7 -61,-0.2 2,-0.4 -0.886 63.3-115.3-129.9 161.8 30.8 62.4 86.9 82 83 A I E -AB 19 75A 7 -63,-1.7 -63,-0.6 -2,-0.3 2,-0.5 -0.834 16.6-149.9-103.5 132.9 28.8 63.1 83.8 83 84 A V E - B 0 74A 0 -9,-3.2 -9,-2.7 -2,-0.4 2,-0.4 -0.881 16.9-160.3-101.3 127.4 25.0 63.7 83.7 84 85 A K - 0 0 105 -2,-0.5 2,-0.2 -11,-0.2 -14,-0.1 -0.863 3.9-156.9-111.9 143.7 23.3 62.6 80.5 85 86 A Y - 0 0 7 -2,-0.4 2,-0.3 -16,-0.3 3,-0.0 -0.707 16.3-126.3-109.2 163.2 19.9 63.7 79.1 86 87 A T > - 0 0 63 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.699 27.9-111.4-103.5 162.5 17.7 61.8 76.7 87 88 A E H > S+ 0 0 106 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.875 118.1 52.6 -61.0 -38.5 16.4 63.5 73.5 88 89 A D H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.844 106.0 52.9 -67.4 -34.9 12.8 63.5 74.9 89 90 A E H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -83,-0.2 0.901 109.5 49.3 -67.4 -39.7 13.8 65.1 78.1 90 91 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.915 112.2 47.0 -66.4 -43.6 15.5 68.0 76.2 91 92 A W H X S+ 0 0 84 -4,-2.0 4,-3.5 1,-0.2 5,-0.2 0.894 106.9 57.0 -66.1 -39.2 12.5 68.5 74.0 92 93 A D H X S+ 0 0 27 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.876 111.4 45.0 -58.4 -36.5 10.1 68.5 76.9 93 94 A A H >< S+ 0 0 12 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.932 115.9 44.4 -72.9 -47.3 12.2 71.3 78.4 94 95 A I H >< S+ 0 0 10 -4,-2.5 3,-0.6 1,-0.2 232,-0.4 0.876 111.8 54.0 -65.3 -37.9 12.4 73.3 75.2 95 96 A N H 3< S+ 0 0 110 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.621 112.8 44.2 -73.0 -13.3 8.8 72.8 74.4 96 97 A N T << S+ 0 0 122 -3,-0.7 -1,-0.2 -4,-0.5 2,-0.2 -0.442 76.5 143.7-131.4 62.0 7.7 74.2 77.7 97 98 A V < - 0 0 29 -3,-0.6 2,-0.3 1,-0.1 194,-0.1 -0.583 62.5 -84.1 -95.9 161.8 9.7 77.3 78.5 98 99 A Q - 0 0 74 192,-0.5 230,-0.4 -2,-0.2 3,-0.1 -0.508 36.5-157.9 -67.4 124.4 8.4 80.4 80.3 99 100 A K - 0 0 160 -2,-0.3 15,-0.5 1,-0.2 2,-0.3 0.875 62.9 -28.5 -71.6 -41.4 6.6 82.6 77.7 100 101 A E E -E 113 0B 73 13,-0.1 2,-0.3 228,-0.0 -1,-0.2 -0.968 58.1-171.0-166.1 170.1 6.8 85.9 79.5 101 102 A F E -E 112 0B 10 11,-1.5 11,-3.0 -2,-0.3 2,-0.4 -0.984 23.5-110.4-165.8 166.8 7.0 87.4 83.0 102 103 A V E -E 111 0B 63 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.881 21.8-160.4-110.1 137.8 6.9 90.7 85.0 103 104 A L E +E 110 0B 3 7,-2.5 7,-2.5 -2,-0.4 96,-0.2 -0.932 58.8 4.9-115.7 140.7 9.8 92.2 86.8 104 105 A G S S- 0 0 3 120,-1.9 2,-0.3 -2,-0.4 94,-0.2 -0.188 78.7-101.9 81.5-177.6 9.4 94.7 89.6 105 106 A T > + 0 0 73 92,-2.6 3,-0.9 4,-0.1 4,-0.2 -0.882 66.3 7.8-141.4 171.2 6.1 95.9 91.1 106 107 A G G > S- 0 0 69 -2,-0.3 3,-1.4 1,-0.2 0, 0.0 -0.156 122.7 -19.3 57.2-147.7 3.6 98.8 91.1 107 108 A R G 3 S+ 0 0 229 1,-0.3 -1,-0.2 91,-0.0 88,-0.0 0.800 138.4 60.2 -61.0 -28.1 4.0 101.6 88.6 108 109 A D G < S+ 0 0 19 -3,-0.9 91,-0.3 2,-0.0 -1,-0.3 0.454 77.3 114.5 -83.0 -3.2 7.6 100.5 88.1 109 110 A A < - 0 0 34 -3,-1.4 2,-0.3 -4,-0.2 -5,-0.2 -0.309 47.9-159.4 -68.7 151.9 7.0 97.0 86.9 110 111 A V E -E 103 0B 23 -7,-2.5 -7,-2.5 -6,-0.0 2,-0.4 -0.976 14.2-125.6-134.0 148.3 7.9 96.0 83.3 111 112 A N E -E 102 0B 76 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.778 15.3-153.5 -94.5 135.0 6.8 93.2 81.1 112 113 A V E +E 101 0B 1 -11,-3.0 -11,-1.5 -2,-0.4 2,-0.3 -0.937 25.9 165.5-109.8 113.0 9.4 90.9 79.5 113 114 A R E -E 100 0B 138 -2,-0.6 -13,-0.1 -13,-0.2 -14,-0.0 -0.896 41.7 -80.0-126.7 156.7 8.2 89.4 76.3 114 115 A K - 0 0 68 -15,-0.5 2,-0.4 -2,-0.3 246,-0.1 -0.162 38.7-159.2 -57.4 143.2 9.9 87.6 73.4 115 116 A R - 0 0 7 244,-0.5 2,-0.2 4,-0.0 246,-0.1 -0.954 5.5-148.5-122.7 142.8 11.8 89.6 70.8 116 117 A S > - 0 0 62 -2,-0.4 3,-2.2 1,-0.1 243,-0.2 -0.603 42.7 -67.6-104.5 169.4 12.6 88.3 67.3 117 118 A V T 3 S+ 0 0 45 1,-0.3 241,-0.2 202,-0.2 -1,-0.1 -0.331 123.9 5.8 -56.2 132.5 15.6 89.1 65.1 118 119 A G T 3 S+ 0 0 20 239,-2.5 -1,-0.3 238,-0.2 276,-0.1 0.645 92.8 178.7 66.8 16.1 15.4 92.7 64.0 119 120 A D < - 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0 0 34 -3,-2.2 -1,-0.3 -276,-0.2 5,-0.1 -0.449 65.2 -98.0 -72.2 140.0 16.8 98.4 61.6 396 397 A E > - 0 0 124 -2,-0.1 4,-2.1 1,-0.1 3,-0.4 -0.295 28.2-131.1 -55.2 134.4 17.5 96.1 58.6 397 398 A I H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 105.9 57.6 -58.6 -39.6 19.9 93.3 59.6 398 399 A S H > S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.898 109.8 45.9 -59.3 -38.2 22.1 93.8 56.5 399 400 A E H > S+ 0 0 107 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.891 109.8 53.8 -70.5 -40.3 22.5 97.5 57.6 400 401 A V H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.913 105.3 54.0 -60.7 -43.8 23.2 96.5 61.2 401 402 A N H X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.853 109.4 48.6 -60.4 -34.3 26.0 94.1 60.1 402 403 A V H X S+ 0 0 76 -4,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.923 111.3 49.1 -71.2 -44.4 27.6 97.0 58.1 403 404 A I H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.908 111.0 50.7 -61.1 -43.3 27.4 99.4 61.1 404 405 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.922 106.8 52.8 -62.1 -46.4 28.9 96.8 63.5 405 406 A D H X S+ 0 0 79 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.921 114.8 42.9 -55.7 -44.8 31.9 96.0 61.2 406 407 A K H X S+ 0 0 108 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.903 116.0 47.4 -68.1 -44.0 32.7 99.7 61.1 407 408 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.4 0.943 110.6 49.4 -64.8 -50.5 32.1 100.4 64.8 408 409 A V H >X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 3,-1.5 0.851 104.4 61.7 -59.0 -33.4 34.1 97.4 66.1 409 410 A S H 3< S+ 0 0 53 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.3 0.787 92.2 67.8 -63.3 -26.7 37.0 98.5 63.8 410 411 A L T << S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.654 121.0 11.1 -69.3 -15.6 37.1 101.8 65.7 411 412 A Y T X4 S+ 0 0 2 -3,-1.5 3,-2.5 -4,-0.4 -2,-0.2 0.552 96.1 95.3-137.6 -14.0 38.4 100.1 68.9 412 413 A E T 3< S+ 0 0 53 -4,-2.6 3,-0.2 1,-0.3 -3,-0.1 0.546 87.2 56.3 -62.8 -4.9 39.4 96.5 68.2 413 414 A K T 3 S+ 0 0 185 -4,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.355 102.7 56.8-104.3 3.9 43.0 97.6 67.8 414 415 A N X + 0 0 73 -3,-2.5 3,-0.6 1,-0.1 -2,-0.2 0.132 63.3 113.6-122.0 20.3 43.2 99.2 71.2 415 416 A Y G > S+ 0 0 17 1,-0.2 3,-1.6 -3,-0.2 -1,-0.1 0.942 81.1 50.1 -57.0 -49.2 42.3 96.4 73.6 416 417 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.732 119.5 38.4 -62.9 -22.5 45.8 96.3 75.2 417 418 A S G < S+ 0 0 84 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.084 78.7 152.1-116.9 23.6 45.7 100.1 75.6 418 419 A A < - 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0 0 26 -9,-2.3 4,-2.2 1,-0.1 3,-0.3 -0.381 26.4-109.3 -79.2 162.2 30.1 115.9 85.4 437 438 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.839 119.7 63.6 -59.9 -31.0 30.2 118.1 82.3 438 439 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 105.4 42.3 -57.7 -50.0 33.4 116.1 81.4 439 440 A Y H > S+ 0 0 0 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.912 111.2 55.9 -64.8 -42.1 31.4 112.9 81.1 440 441 A M H X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.859 108.0 49.3 -58.9 -35.3 28.6 114.6 79.3 441 442 A Q H X S+ 0 0 109 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.921 110.7 48.6 -70.1 -44.9 31.1 115.8 76.7 442 443 A V H X S+ 0 0 34 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.916 110.1 53.5 -59.8 -42.7 32.6 112.4 76.2 443 444 A Y H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.935 108.0 49.6 -57.5 -49.2 29.1 111.0 75.8 444 445 A D H X S+ 0 0 84 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 108.9 53.1 -58.4 -41.0 28.3 113.5 73.1 445 446 A G H X S+ 0 0 28 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.915 111.0 45.2 -61.8 -43.7 31.5 112.6 71.3 446 447 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 112.2 52.4 -65.7 -42.5 30.7 108.9 71.3 447 448 A R H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.900 106.3 53.8 -60.2 -44.0 27.1 109.6 70.2 448 449 A K H X S+ 0 0 109 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.908 107.6 50.1 -59.8 -43.3 28.3 111.7 67.2 449 450 A K H X S+ 0 0 88 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.883 109.1 51.6 -63.9 -37.5 30.5 108.9 66.0 450 451 A L H X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-0.5 0.903 109.6 50.4 -65.5 -38.8 27.6 106.4 66.2 451 452 A E H ><5S+ 0 0 76 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.885 105.7 55.4 -65.9 -38.3 25.5 108.8 64.2 452 453 A D H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 103.7 56.3 -65.5 -24.3 28.2 109.2 61.6 453 454 A L H 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.640 131.2 -93.0 -81.2 -14.2 28.1 105.4 61.2 454 455 A G T <<5S+ 0 0 46 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.383 76.9 140.7 120.9 -4.4 24.4 105.5 60.5 455 456 A L < - 0 0 9 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.3 -0.519 37.3-152.6 -72.6 137.8 22.6 105.1 63.8 456 457 A V 0 0 112 -65,-0.4 -1,-0.0 -2,-0.2 -5,-0.0 -0.939 360.0 360.0-116.4 111.3 19.6 107.3 64.2 457 458 A F 0 0 60 -2,-0.6 -1,-0.1 -10,-0.1 -65,-0.0 0.720 360.0 360.0 -80.4 360.0 18.8 108.2 67.8