==== 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 24-FEB-02 1L2Q . COMPND 2 MOLECULE: MONOMETHYLAMINE METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR B.HAO,W.GONG,T.K.FERGUSON,C.M.JAMES,J.A.KRZYCKI,M.K.CHAN . 457 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 70.7 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 . 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 . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 37.2 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 2 0 0 1 1 1 0 2 1 1 0 1 2 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 0 154 0, 0.0 2,-0.1 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 175.3 9.0 59.1 75.5 2 3 A F - 0 0 61 86,-0.2 3,-0.1 1,-0.1 85,-0.0 -0.475 360.0-132.4 -84.5 156.5 10.6 60.6 78.5 3 4 A R S S- 0 0 227 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.944 83.1 -22.2 -71.8 -47.9 10.0 59.5 82.1 4 5 A K S S- 0 0 71 -3,-0.0 -1,-0.3 3,-0.0 2,-0.1 -0.979 83.4 -75.9-157.6 158.0 9.4 63.0 83.4 5 6 A S - 0 0 63 -2,-0.3 84,-0.1 -3,-0.1 85,-0.1 -0.420 63.9-108.8 -59.2 130.1 10.2 66.6 82.5 6 7 A F + 0 0 14 83,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.329 49.7 160.0 -66.4 141.1 13.8 67.0 83.4 7 8 A D >> - 0 0 27 -3,-0.1 4,-2.0 -2,-0.1 3,-0.6 -0.896 55.9 -79.4-149.3 178.9 14.8 69.1 86.4 8 9 A C H 3> S+ 0 0 1 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.749 124.2 57.9 -55.3 -28.4 17.6 69.8 88.9 9 10 A Y H 3> S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 106.5 46.8 -71.4 -41.5 16.6 66.8 91.0 10 11 A D H <> S+ 0 0 14 -3,-0.6 4,-2.6 1,-0.2 5,-0.2 0.876 110.1 56.0 -65.6 -36.1 17.1 64.4 88.0 11 12 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.946 107.3 47.2 -61.0 -48.4 20.4 66.2 87.4 12 13 A Y H X S+ 0 0 100 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.935 110.9 52.5 -57.5 -48.3 21.6 65.4 90.9 13 14 A D H >X S+ 0 0 95 -4,-2.2 4,-0.6 1,-0.2 3,-0.6 0.937 115.3 40.5 -52.3 -51.8 20.5 61.8 90.6 14 15 A R H >X S+ 0 0 66 -4,-2.6 4,-1.7 1,-0.2 3,-0.7 0.830 107.2 62.0 -69.6 -33.2 22.4 61.4 87.3 15 16 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 102.5 53.6 -64.9 -23.9 25.5 63.3 88.5 16 17 A K H << S+ 0 0 97 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.730 123.2 23.7 -83.3 -22.9 26.0 60.8 91.2 17 18 A V H << S+ 0 0 114 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.1 0.342 93.9 118.2-125.3 5.9 26.0 57.7 88.9 18 19 A G S < S- 0 0 16 -4,-1.7 65,-0.2 1,-0.2 3,-0.1 -0.060 79.3 -58.3 -69.6 174.2 27.0 59.1 85.5 19 20 A E E -A 82 0A 97 63,-0.6 63,-1.9 62,-0.1 2,-0.2 -0.286 58.7-120.3 -54.5 126.9 30.1 58.2 83.5 20 21 A K E +A 81 0A 155 61,-0.2 2,-0.3 -3,-0.1 61,-0.2 -0.502 44.5 163.4 -71.2 139.8 33.3 58.9 85.4 21 22 A C - 0 0 13 59,-2.3 2,-0.1 -2,-0.2 -3,-0.0 -0.957 37.2-121.1-160.7 135.7 35.5 61.4 83.6 22 23 A T > - 0 0 76 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.443 30.3-119.7 -74.8 155.9 38.4 63.7 84.6 23 24 A Q H > S+ 0 0 72 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.844 115.5 54.7 -66.5 -30.2 37.8 67.4 84.0 24 25 A D H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.881 103.0 55.1 -68.2 -38.0 40.8 67.4 81.6 25 26 A D H 4>S+ 0 0 76 2,-0.2 5,-2.6 1,-0.2 4,-0.4 0.844 114.4 43.0 -62.5 -31.1 39.2 64.6 79.6 26 27 A W H <>S+ 0 0 0 -4,-1.3 5,-2.4 3,-0.2 3,-0.3 0.964 121.7 35.2 -77.9 -55.5 36.2 66.9 79.3 27 28 A D H <5S+ 0 0 5 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.846 126.6 36.3 -68.4 -39.9 37.9 70.2 78.6 28 29 A L T <5S+ 0 0 112 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.433 134.7 8.7 -97.6 -0.4 40.7 69.0 76.4 29 30 A M T >5S+ 0 0 76 -4,-0.4 4,-2.5 -5,-0.3 5,-0.3 0.481 119.3 45.5-139.9 -69.7 39.0 66.2 74.6 30 31 A K H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 114.4 53.1 -59.7 -34.8 36.7 70.3 71.6 33 34 A M H X S+ 0 0 112 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 111.7 43.7 -64.5 -47.5 36.2 67.1 69.7 34 35 A K H X S+ 0 0 34 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.893 113.7 49.6 -66.7 -40.3 32.5 67.3 69.4 35 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 114.4 46.4 -64.1 -41.8 32.4 71.0 68.6 36 37 A M H X S+ 0 0 114 -4,-2.1 4,-1.9 -5,-0.3 5,-0.2 0.915 113.4 49.6 -64.3 -45.1 35.0 70.4 65.9 37 38 A E H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 113.4 44.1 -61.2 -48.7 33.1 67.3 64.6 38 39 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 6,-0.3 0.845 108.6 57.7 -69.5 -33.2 29.7 69.1 64.4 39 40 A K H <>S+ 0 0 58 -4,-2.1 5,-2.3 -5,-0.2 4,-0.4 0.959 114.9 37.0 -61.0 -49.1 31.2 72.3 62.8 40 41 A Q H ><5S+ 0 0 149 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.917 113.8 54.8 -70.5 -44.1 32.6 70.2 59.9 41 42 A K H 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.882 118.2 35.9 -58.3 -37.9 29.7 67.8 59.6 42 43 A Y T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.443 106.4-129.0 -94.0 -0.8 27.2 70.7 59.2 43 44 A G T < 5 - 0 0 36 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.866 33.7-168.3 56.3 41.2 29.6 72.8 57.2 44 45 A L < + 0 0 7 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.2 -0.442 19.1 158.5 -68.0 126.3 29.2 75.8 59.5 45 46 A D - 0 0 80 -2,-0.3 12,-0.0 226,-0.1 -1,-0.0 -0.893 25.2-167.3-150.0 112.1 30.7 79.0 58.1 46 47 A F > - 0 0 1 -2,-0.3 3,-2.2 6,-0.0 -1,-0.0 0.552 25.6-147.2 -80.2 -7.8 29.4 82.4 59.3 47 48 A K T 3 - 0 0 144 1,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.822 62.5 -57.9 43.7 46.5 31.2 84.2 56.4 48 49 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.406 97.7 138.5 72.4 -2.5 32.0 87.3 58.4 49 50 A E < - 0 0 48 -3,-2.2 -1,-0.2 1,-0.2 267,-0.1 -0.544 41.7-161.9 -78.8 140.9 28.4 88.2 59.3 50 51 A F S S+ 0 0 2 1,-0.3 266,-0.2 -2,-0.2 -1,-0.2 0.853 89.7 28.6 -83.6 -40.2 27.5 89.4 62.8 51 52 A I S S- 0 0 0 346,-0.2 -1,-0.3 264,-0.1 265,-0.1 -0.987 96.0-119.3-123.7 121.5 23.9 88.5 62.3 52 53 A P + 0 0 6 0, 0.0 3,-0.1 0, 0.0 345,-0.0 -0.226 28.3 177.5 -63.0 145.8 23.0 85.7 59.9 53 54 A T + 0 0 88 1,-0.1 2,-0.8 344,-0.0 345,-0.0 0.228 64.3 88.4-125.5 2.5 20.8 86.1 56.8 54 55 A D > - 0 0 57 1,-0.1 4,-1.9 2,-0.0 3,-0.3 -0.870 54.3-173.9-107.3 98.6 21.1 82.5 55.7 55 56 A K H > S+ 0 0 120 -2,-0.8 4,-2.3 1,-0.2 -1,-0.1 0.783 83.4 58.9 -64.0 -27.7 18.3 80.5 57.4 56 57 A D H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 108.0 45.0 -67.2 -42.3 19.7 77.2 56.1 57 58 A M H > S+ 0 0 13 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.863 111.8 54.3 -67.5 -35.5 23.0 77.8 57.9 58 59 A M H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 106.6 50.3 -64.8 -42.1 21.1 78.9 61.0 59 60 A E H X S+ 0 0 76 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.886 109.7 50.7 -64.6 -37.7 19.1 75.7 61.0 60 61 A K H X S+ 0 0 72 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.882 109.2 51.8 -67.2 -35.4 22.3 73.7 60.7 61 62 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 109.4 50.1 -66.4 -39.5 23.7 75.7 63.7 62 63 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 111.2 47.6 -63.5 -47.6 20.6 74.9 65.7 63 64 A K H X S+ 0 0 96 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.877 111.9 51.6 -60.6 -38.3 20.9 71.1 64.9 64 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.917 110.5 47.4 -65.2 -44.7 24.6 71.3 65.8 65 66 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.908 113.1 48.4 -63.4 -42.4 23.9 72.9 69.2 66 67 A F H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.938 114.1 46.7 -61.9 -47.3 21.2 70.4 70.0 67 68 A E H X S+ 0 0 43 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.829 107.0 57.7 -66.4 -32.7 23.4 67.5 69.0 68 69 A M H X>S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.6 0.961 112.2 41.5 -60.7 -50.4 26.3 69.0 71.0 69 70 A L H X5S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 16,-0.3 0.912 117.1 48.2 -63.8 -43.7 24.2 68.9 74.2 70 71 A L H <5S+ 0 0 44 -4,-2.5 15,-0.3 1,-0.2 -2,-0.2 0.904 118.2 37.9 -65.1 -44.7 22.6 65.5 73.4 71 72 A E H <5S+ 0 0 70 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.813 126.9 33.0 -80.4 -30.9 25.9 63.7 72.6 72 73 A C H <5S- 0 0 8 -4,-2.2 2,-0.2 -5,-0.3 -3,-0.2 0.916 84.8-169.2 -89.4 -53.0 28.1 65.3 75.2 73 74 A G << - 0 0 0 -4,-1.3 2,-0.4 -5,-0.6 11,-0.2 -0.553 38.1 -54.3 91.3-161.3 25.9 66.0 78.2 74 75 A I E -B 83 0A 0 9,-2.6 9,-3.2 -2,-0.2 2,-0.4 -0.971 43.2-134.9-123.8 132.1 26.9 68.1 81.1 75 76 A Y E -Bc 82 236A 0 160,-2.3 162,-2.4 -2,-0.4 2,-0.7 -0.700 13.3-149.1 -85.7 129.6 30.0 67.6 83.3 76 77 A C E >> -Bc 81 237A 0 5,-2.6 4,-1.7 -2,-0.4 5,-0.9 -0.888 2.8-159.3-100.8 114.4 29.4 67.9 87.1 77 78 A T T 45S+ 0 0 26 160,-2.1 161,-0.2 -2,-0.7 -1,-0.2 0.869 86.7 51.7 -60.3 -41.1 32.6 69.2 88.8 78 79 A D T 45S+ 0 0 89 159,-0.3 -1,-0.2 1,-0.2 160,-0.1 0.841 121.5 29.6 -67.9 -35.9 31.8 67.9 92.2 79 80 A T T 45S- 0 0 30 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.543 95.2-134.9-100.9 -9.9 31.2 64.3 91.3 80 81 A H T <5 + 0 0 100 -4,-1.7 -59,-2.3 1,-0.2 2,-0.3 0.889 66.2 119.3 55.9 40.6 33.5 64.2 88.3 81 82 A R E < -AB 20 76A 67 -5,-0.9 -5,-2.6 -61,-0.2 2,-0.4 -0.922 63.8-115.8-133.8 159.5 30.8 62.5 86.3 82 83 A I E -AB 19 75A 4 -63,-1.9 -63,-0.6 -2,-0.3 2,-0.5 -0.815 16.9-149.3-101.5 132.8 28.8 63.2 83.1 83 84 A V E - B 0 74A 0 -9,-3.2 -9,-2.6 -2,-0.4 2,-0.4 -0.879 16.8-159.5-100.5 127.5 25.0 63.8 83.1 84 85 A K - 0 0 92 -2,-0.5 2,-0.2 -11,-0.2 -14,-0.1 -0.853 4.2-157.3-110.7 144.2 23.3 62.7 79.9 85 86 A Y - 0 0 9 -2,-0.4 2,-0.3 -16,-0.3 3,-0.0 -0.710 17.2-125.4-109.3 163.0 19.9 63.8 78.5 86 87 A T > - 0 0 62 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.716 26.2-113.0-103.9 161.2 17.7 61.9 76.0 87 88 A E H > S+ 0 0 109 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.898 118.0 52.2 -59.5 -41.4 16.4 63.5 72.8 88 89 A D H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 107.0 52.3 -64.4 -37.5 12.9 63.4 74.1 89 90 A E H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -83,-0.2 0.906 109.2 49.8 -66.1 -41.0 13.8 65.2 77.4 90 91 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.933 111.7 47.7 -63.8 -44.8 15.5 68.0 75.5 91 92 A W H X S+ 0 0 89 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.869 106.9 56.6 -64.8 -35.9 12.5 68.5 73.2 92 93 A D H < S+ 0 0 25 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.895 111.0 45.5 -61.9 -37.3 10.1 68.5 76.2 93 94 A A H >< S+ 0 0 10 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.931 115.9 44.2 -70.8 -46.7 12.2 71.4 77.6 94 95 A I H 3< S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.2 232,-0.4 0.871 111.8 54.1 -66.2 -36.8 12.4 73.3 74.4 95 96 A N T 3< S+ 0 0 109 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.591 112.5 44.8 -75.0 -10.2 8.7 72.8 73.6 96 97 A N S < S+ 0 0 118 -3,-0.8 -1,-0.2 -4,-0.5 2,-0.2 -0.540 76.2 144.4-136.3 70.7 7.7 74.2 77.0 97 98 A V - 0 0 33 -3,-0.5 2,-0.4 -2,-0.1 194,-0.1 -0.563 61.8 -81.3-101.8 167.4 9.5 77.4 77.8 98 99 A Q - 0 0 77 192,-0.4 230,-0.3 -2,-0.2 3,-0.1 -0.571 38.1-158.9 -69.5 123.0 8.3 80.5 79.6 99 100 A K - 0 0 168 -2,-0.4 15,-0.5 1,-0.2 2,-0.3 0.903 63.1 -29.0 -71.2 -43.4 6.5 82.5 77.1 100 101 A E E -E 113 0B 74 13,-0.1 2,-0.3 228,-0.0 -1,-0.2 -0.962 58.8-171.0-163.3 171.3 6.7 85.9 78.8 101 102 A F E -E 112 0B 12 11,-1.6 11,-3.1 -2,-0.3 2,-0.4 -0.981 22.4-112.6-165.3 168.1 7.0 87.4 82.3 102 103 A V E -E 111 0B 58 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.919 20.1-160.1-114.6 137.8 6.9 90.7 84.3 103 104 A L E +E 110 0B 2 7,-2.6 7,-2.6 -2,-0.4 96,-0.2 -0.920 58.7 6.6-114.5 141.7 9.8 92.3 86.1 104 105 A G S S- 0 0 4 120,-2.3 2,-0.3 -2,-0.4 94,-0.2 -0.165 78.2-100.1 82.0-179.2 9.4 94.8 88.8 105 106 A T > + 0 0 71 92,-2.5 3,-1.0 4,-0.1 4,-0.2 -0.888 66.8 2.9-140.0 168.3 6.1 96.0 90.4 106 107 A G G > S- 0 0 68 -2,-0.3 3,-1.5 1,-0.2 0, 0.0 -0.149 123.1 -17.9 56.3-147.1 3.6 98.8 90.4 107 108 A R G 3 S+ 0 0 228 1,-0.3 -1,-0.2 91,-0.0 88,-0.0 0.801 138.1 59.9 -60.9 -27.9 4.0 101.6 87.9 108 109 A D G < S+ 0 0 21 -3,-1.0 91,-0.4 2,-0.0 -1,-0.3 0.474 78.4 113.7 -83.2 -3.4 7.6 100.6 87.4 109 110 A A < - 0 0 33 -3,-1.5 2,-0.3 -4,-0.2 -5,-0.2 -0.305 47.8-160.2 -69.4 153.0 7.0 97.0 86.2 110 111 A V E -E 103 0B 26 -7,-2.6 -7,-2.6 -6,-0.0 2,-0.4 -0.991 14.0-126.1-136.4 145.0 7.9 96.0 82.6 111 112 A N E -E 102 0B 77 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.715 14.2-154.0 -91.0 138.5 6.7 93.1 80.4 112 113 A V E +E 101 0B 2 -11,-3.1 -11,-1.6 -2,-0.4 2,-0.3 -0.946 26.2 162.6-114.4 110.5 9.3 90.8 78.8 113 114 A R E -E 100 0B 138 -2,-0.6 -13,-0.1 -13,-0.2 -14,-0.0 -0.870 44.4 -76.7-124.7 160.0 8.0 89.2 75.6 114 115 A K - 0 0 80 -15,-0.5 2,-0.3 -2,-0.3 246,-0.1 -0.221 40.8-158.9 -60.8 140.5 9.7 87.5 72.7 115 116 A R - 0 0 10 244,-0.5 2,-0.2 4,-0.0 246,-0.1 -0.875 7.2-142.0-115.8 151.3 11.5 89.6 70.1 116 117 A S > - 0 0 61 -2,-0.3 3,-2.0 1,-0.1 243,-0.2 -0.585 41.1 -73.3-105.3 171.0 12.4 88.5 66.5 117 118 A V T 3 S+ 0 0 42 1,-0.3 241,-0.2 -2,-0.2 240,-0.1 -0.463 123.4 7.5 -63.7 132.5 15.5 89.2 64.5 118 119 A G T 3 S+ 0 0 21 239,-2.3 -1,-0.3 238,-0.3 276,-0.1 0.631 93.3 176.7 69.5 14.5 15.4 92.8 63.4 119 120 A D < - 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0 0 0 -2,-0.3 3,-1.4 -12,-0.2 4,-0.7 -0.962 45.5-106.1-142.7 162.5 28.1 104.5 85.7 379 380 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.3 3,-0.2 0.709 107.8 75.9 -59.6 -22.6 24.6 105.0 84.3 380 381 A M H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.866 92.4 52.6 -59.2 -36.8 26.0 106.9 81.3 381 382 A E H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.887 110.0 48.0 -67.2 -36.3 27.1 103.6 79.7 382 383 A A H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.831 106.7 57.8 -71.2 -33.0 23.6 102.1 80.1 383 384 A R H X S+ 0 0 53 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 109.1 44.6 -62.3 -44.8 22.1 105.3 78.6 384 385 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.923 110.3 54.9 -65.0 -43.1 24.2 104.7 75.5 385 386 A M H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.923 113.6 42.9 -55.2 -44.8 23.3 101.0 75.4 386 387 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.915 113.2 48.6 -70.1 -44.7 19.6 102.0 75.5 387 388 A E H X S+ 0 0 45 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.895 112.4 49.9 -64.2 -37.4 19.7 104.8 73.0 388 389 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.850 106.5 56.2 -68.5 -34.1 21.7 102.7 70.5 389 390 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.917 108.5 47.2 -64.0 -42.3 19.1 99.9 71.0 390 391 A R H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.924 111.0 51.5 -64.2 -43.2 16.4 102.3 70.0 391 392 A A H < S+ 0 0 10 -4,-2.1 65,-0.4 1,-0.2 -1,-0.2 0.850 113.6 45.8 -61.4 -33.4 18.4 103.4 67.0 392 393 A T H >< S+ 0 0 2 -4,-2.0 3,-2.2 -5,-0.1 -1,-0.2 0.807 84.2 108.8 -81.1 -32.6 18.9 99.8 65.9 393 394 A A T 3< S+ 0 0 23 -4,-2.1 -273,-0.3 1,-0.3 -274,-0.1 -0.192 90.6 7.3 -51.3 129.0 15.4 98.5 66.3 394 395 A G T 3 S+ 0 0 35 -275,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.336 91.6 139.0 82.4 -7.8 13.7 97.8 63.0 395 396 A V < - 0 0 30 -3,-2.2 -1,-0.3 -276,-0.2 5,-0.1 -0.482 63.7 -98.6 -74.0 139.8 16.9 98.4 60.9 396 397 A E > - 0 0 137 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.299 27.0-130.3 -56.1 135.4 17.5 95.9 58.0 397 398 A I H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 106.4 58.4 -58.2 -38.9 19.9 93.2 59.0 398 399 A S H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.920 109.5 45.2 -58.1 -42.5 22.1 93.8 55.9 399 400 A E H > S+ 0 0 91 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.874 110.2 54.5 -68.4 -37.9 22.5 97.4 56.9 400 401 A V H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.920 105.5 52.5 -62.5 -44.6 23.3 96.4 60.5 401 402 A N H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.882 110.3 48.8 -59.6 -38.0 26.0 94.0 59.4 402 403 A V H X S+ 0 0 77 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.928 111.8 48.2 -67.3 -45.1 27.6 96.8 57.4 403 404 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.918 111.6 50.4 -61.0 -44.6 27.4 99.3 60.4 404 405 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.913 106.8 53.7 -61.3 -44.4 28.9 96.7 62.8 405 406 A D H X S+ 0 0 78 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.913 114.3 42.5 -57.3 -42.6 31.9 95.9 60.5 406 407 A K H X S+ 0 0 107 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.900 116.2 47.5 -70.7 -42.9 32.7 99.7 60.4 407 408 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.5 0.939 110.7 49.1 -65.6 -49.6 32.1 100.3 64.1 408 409 A V H >X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 3,-1.2 0.856 105.2 60.0 -60.8 -33.6 34.1 97.3 65.4 409 410 A S H 3< S+ 0 0 50 -4,-1.2 4,-0.3 -5,-0.3 -1,-0.3 0.736 93.7 68.1 -66.5 -20.1 37.0 98.3 63.1 410 411 A L T << S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.746 120.5 11.5 -71.6 -22.9 37.1 101.6 64.9 411 412 A Y T X4 S+ 0 0 4 -3,-1.2 3,-2.4 -4,-0.5 -2,-0.2 0.570 97.2 94.9-130.4 -14.0 38.4 100.0 68.2 412 413 A E T 3< S+ 0 0 54 -4,-2.6 3,-0.3 1,-0.3 -3,-0.1 0.577 86.3 55.7 -62.0 -8.6 39.4 96.4 67.5 413 414 A K T 3 S+ 0 0 181 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.423 103.2 58.0-100.2 1.1 43.1 97.4 67.1 414 415 A N < + 0 0 72 -3,-2.4 3,-0.4 1,-0.1 -2,-0.2 0.134 63.5 112.5-117.3 19.7 43.2 99.1 70.5 415 416 A Y S > S+ 0 0 17 -3,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.935 81.9 48.7 -57.8 -47.8 42.3 96.3 72.9 416 417 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.763 119.4 39.6 -64.4 -25.6 45.7 96.2 74.5 417 418 A S T 3 S+ 0 0 83 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.2 0.109 79.6 150.3-111.6 20.9 45.7 100.0 74.9 418 419 A A < - 0 0 25 -3,-1.4 -3,-0.1 1,-0.1 2,-0.0 -0.303 55.8-104.0 -55.2 130.5 42.1 100.5 75.9 419 420 A P - 0 0 54 0, 0.0 -81,-2.2 0, 0.0 -50,-0.1 -0.317 17.8-135.0 -61.4 137.3 41.8 103.5 78.2 420 421 A A - 0 0 70 -83,-0.2 -79,-0.1 1,-0.1 -2,-0.1 0.783 39.4-163.2 -62.5 -30.4 41.4 102.8 81.9 421 422 A G - 0 0 21 -83,-0.2 2,-0.3 -81,-0.1 -81,-0.2 -0.181 18.5 -72.9 74.2-170.3 38.7 105.4 82.2 422 423 A K - 0 0 74 -83,-2.1 2,-0.1 1,-0.1 -81,-0.1 -0.770 36.9-104.6-125.3 168.4 37.5 107.0 85.4 423 424 A T >> - 0 0 27 -2,-0.3 4,-1.7 -47,-0.1 3,-1.0 -0.383 38.4-103.1 -85.9 167.3 35.5 106.0 88.5 424 425 A F H 3> S+ 0 0 0 -49,-2.7 4,-1.0 1,-0.3 3,-0.2 0.899 123.5 56.0 -54.4 -43.3 31.9 107.1 89.3 425 426 A Q H 34 S+ 0 0 69 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.746 109.3 47.1 -63.4 -24.6 33.4 109.6 91.8 426 427 A E H <4 S+ 0 0 108 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.772 120.4 32.4 -90.3 -29.0 35.5 111.2 89.0 427 428 A a H < S+ 0 0 0 -4,-1.7 9,-2.4 -3,-0.2 2,-0.3 0.275 115.9 55.8-114.1 12.8 33.0 111.6 86.2 428 429 A Y E < S-R 435 0H 6 -4,-1.0 2,-1.0 7,-0.3 3,-0.1 -0.956 82.3-117.1-138.1 154.8 29.8 112.2 88.2 429 430 A D E >> -R 434 0H 72 5,-3.3 4,-1.6 -2,-0.3 5,-1.3 -0.861 32.2-158.2 -89.6 103.2 28.8 114.8 90.8 430 431 A V T 45S+ 0 0 48 -2,-1.0 -1,-0.2 -5,-0.3 -5,-0.1 0.827 83.4 58.0 -56.2 -35.1 28.3 112.2 93.6 431 432 A K T 45S+ 0 0 200 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.912 121.1 24.0 -64.1 -45.1 26.0 114.5 95.6 432 433 A T T 45S- 0 0 81 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.465 102.2-127.7 -99.6 -3.5 23.4 115.0 92.9 433 434 A V T <5 + 0 0 13 -4,-1.6 -3,-0.2 1,-0.2 -285,-0.1 0.936 62.0 135.6 55.7 51.0 24.2 111.8 91.1 434 435 A T E < -R 429 0H 65 -5,-1.3 -5,-3.3 0, 0.0 -1,-0.2 -0.972 58.0-104.8-129.6 144.4 24.7 113.6 87.7 435 436 A P E -R 428 0H 25 0, 0.0 -7,-0.3 0, 0.0 2,-0.1 -0.275 37.5-112.9 -65.5 151.5 27.4 113.2 85.0 436 437 A T > - 0 0 40 -9,-2.4 4,-2.2 1,-0.1 5,-0.2 -0.353 25.7-109.3 -79.5 164.6 30.1 115.9 84.7 437 438 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 120.1 62.7 -61.1 -33.9 30.4 118.1 81.6 438 439 A E H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 106.3 42.1 -56.3 -50.2 33.5 116.1 80.8 439 440 A Y H > S+ 0 0 0 -12,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.907 110.9 55.5 -65.9 -41.9 31.4 112.9 80.4 440 441 A M H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.879 109.5 48.0 -59.2 -36.4 28.6 114.6 78.6 441 442 A Q H X S+ 0 0 121 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.895 111.3 49.1 -70.8 -40.4 31.2 115.8 76.0 442 443 A V H X S+ 0 0 35 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.919 110.3 52.9 -62.8 -43.1 32.7 112.4 75.7 443 444 A Y H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.927 107.6 50.4 -57.6 -48.6 29.2 111.0 75.2 444 445 A D H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.895 107.6 54.3 -58.6 -41.5 28.5 113.4 72.4 445 446 A G H X S+ 0 0 27 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.911 110.8 44.7 -59.7 -43.9 31.7 112.5 70.6 446 447 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.913 112.2 52.4 -66.5 -43.2 30.8 108.8 70.6 447 448 A R H X S+ 0 0 78 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.893 106.8 53.3 -60.2 -41.3 27.3 109.6 69.5 448 449 A K H X S+ 0 0 102 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.901 107.8 50.2 -62.2 -41.8 28.5 111.7 66.6 449 450 A K H X S+ 0 0 90 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.876 109.3 51.8 -65.0 -36.5 30.8 108.9 65.3 450 451 A L H <>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 4,-0.4 0.880 109.3 50.3 -67.2 -36.6 27.8 106.4 65.5 451 452 A E H ><5S+ 0 0 70 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.882 104.8 56.9 -68.4 -37.2 25.7 108.8 63.5 452 453 A D H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.9 55.3 -64.0 -25.2 28.5 109.1 60.9 453 454 A L T 3<5S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.599 131.0 -91.4 -82.8 -12.3 28.3 105.4 60.5 454 455 A G T < 5S+ 0 0 32 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.327 78.1 138.3 122.0 -9.9 24.6 105.5 59.7 455 456 A L < - 0 0 9 -5,-2.0 2,-0.6 -8,-0.1 -1,-0.3 -0.479 38.2-153.1 -71.0 138.8 22.8 105.1 63.1 456 457 A V 0 0 112 -65,-0.4 -1,-0.0 -2,-0.2 -5,-0.0 -0.956 360.0 360.0-117.0 113.8 19.8 107.4 63.6 457 458 A F 0 0 74 -2,-0.6 -1,-0.1 -10,-0.1 -65,-0.0 0.737 360.0 360.0 -82.1 360.0 19.0 108.3 67.2