==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-SEP-07 2R66 . COMPND 2 MOLECULE: GLYCOSYL TRANSFERASE, GROUP 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHERMOTHRIX ORENII; . AUTHOR J.SIVARAMAN,T.K.CHUA . 456 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 2 3 0 1 0 1 1 0 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 2 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 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 7 A I 0 0 90 0, 0.0 3,-0.1 0, 0.0 450,-0.1 0.000 360.0 360.0 360.0 -34.8 20.9 70.6 11.8 2 8 A K + 0 0 141 1,-0.3 44,-3.2 43,-0.1 2,-0.4 0.705 360.0 23.9-120.2 -41.2 24.7 70.8 12.2 3 9 A H E +a 46 0A 19 42,-0.2 113,-2.2 111,-0.1 114,-0.9 -0.973 62.0 164.7-138.8 123.8 25.7 68.3 15.0 4 10 A V E -ab 47 117A 1 42,-2.8 44,-2.0 -2,-0.4 2,-0.4 -0.898 22.0-140.1-132.5 161.9 23.9 65.2 16.2 5 11 A A E -ab 48 118A 2 112,-1.4 114,-3.3 -2,-0.3 2,-0.7 -0.983 2.6-151.8-129.5 135.6 24.8 62.2 18.3 6 12 A F E -ab 49 119A 0 42,-3.1 44,-2.5 -2,-0.4 2,-0.8 -0.909 13.9-151.1-105.9 111.9 23.8 58.5 17.9 7 13 A L E +ab 50 120A 0 112,-2.9 114,-1.9 -2,-0.7 44,-0.2 -0.743 34.8 147.5 -88.9 107.5 23.7 56.6 21.2 8 14 A N + 0 0 0 42,-2.4 44,-0.3 -2,-0.8 -1,-0.1 -0.588 10.2 168.6-138.8 71.3 24.5 52.9 20.6 9 15 A P + 0 0 1 0, 0.0 43,-0.3 0, 0.0 42,-0.1 0.672 58.1 76.2 -59.2 -21.5 26.4 51.6 23.8 10 16 A Q S S- 0 0 11 41,-0.1 42,-0.2 2,-0.1 -2,-0.0 -0.349 98.5 -4.1 -88.2 172.7 26.0 47.9 22.7 11 17 A G S S- 0 0 3 77,-0.2 41,-0.4 -2,-0.1 2,-0.3 -0.154 89.1-117.6 46.3-134.9 28.0 46.1 20.0 12 18 A N - 0 0 1 13,-0.3 2,-0.3 39,-0.1 41,-0.1 -0.986 9.5-116.4 179.0 176.9 30.4 48.5 18.2 13 19 A F + 0 0 0 -2,-0.3 38,-0.1 36,-0.1 17,-0.0 -0.994 32.2 151.4-136.6 141.3 31.6 50.3 15.1 14 20 A D > - 0 0 8 -2,-0.3 3,-2.3 53,-0.1 55,-0.1 -0.977 56.6 -94.3-163.7 157.5 34.8 50.2 13.2 15 21 A P T 3 S+ 0 0 70 0, 0.0 55,-0.2 0, 0.0 54,-0.0 0.679 123.1 46.4 -49.3 -23.9 36.2 50.7 9.6 16 22 A A T 3 S- 0 0 70 53,-0.0 3,-0.1 0, 0.0 53,-0.0 0.040 104.7-123.2-111.4 25.8 36.0 47.0 8.9 17 23 A D X - 0 0 52 -3,-2.3 3,-1.1 1,-0.1 -4,-0.0 0.861 44.8-153.3 33.5 55.7 32.4 46.4 10.3 18 24 A S T 3 + 0 0 16 1,-0.2 -1,-0.1 43,-0.1 3,-0.1 -0.252 60.2 5.9 -65.4 144.8 34.0 43.7 12.6 19 25 A Y T > S+ 0 0 44 1,-0.2 3,-1.4 -3,-0.1 4,-0.3 0.477 83.4 162.2 65.3 4.1 32.2 40.7 14.0 20 26 A W T < S+ 0 0 55 -3,-1.1 -1,-0.2 1,-0.3 7,-0.2 -0.268 71.7 5.0 -53.7 136.9 29.2 41.6 11.9 21 27 A T T 3 S+ 0 0 95 5,-2.0 -1,-0.3 2,-0.3 6,-0.1 0.885 114.8 90.7 52.2 41.7 26.9 38.5 11.6 22 28 A E S < S+ 0 0 147 -3,-1.4 -2,-0.2 4,-0.6 -1,-0.1 0.259 87.3 28.1-143.4 3.3 29.2 36.7 14.0 23 29 A H B > S-H 26 0B 55 3,-0.6 3,-1.4 -4,-0.3 -1,-0.4 -0.968 78.4-111.1-165.2 150.6 27.6 37.5 17.4 24 30 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.863 118.0 47.5 -53.9 -42.3 24.2 38.4 18.8 25 31 A D T 3 S+ 0 0 3 1,-0.2 2,-0.5 2,-0.1 -13,-0.3 0.507 104.0 69.1 -80.1 -3.8 25.1 42.0 19.6 26 32 A F B < S+H 23 0B 1 -3,-1.4 -5,-2.0 -7,-0.2 -4,-0.6 -0.685 79.5 83.5-118.8 79.2 26.6 42.5 16.1 27 33 A G S > S- 0 0 31 -2,-0.5 4,-1.2 -7,-0.2 3,-0.5 -0.177 89.4 -18.2-138.5-128.3 23.9 42.4 13.5 28 34 A G H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.854 119.0 62.0 -62.5 -42.0 21.3 44.6 11.9 29 35 A Q H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 105.2 50.2 -55.4 -36.2 21.2 47.5 14.4 30 36 A L H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.901 109.5 48.3 -70.3 -42.9 24.9 48.3 13.7 31 37 A V H X S+ 0 0 31 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.920 112.8 51.3 -61.2 -44.6 24.5 48.3 9.9 32 38 A Y H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.958 110.3 45.8 -56.5 -58.4 21.5 50.6 10.2 33 39 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.879 114.5 49.8 -55.7 -41.9 23.2 53.1 12.5 34 40 A K H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.929 113.3 44.4 -63.9 -47.7 26.3 53.2 10.3 35 41 A E H X S+ 0 0 11 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.864 114.6 47.8 -67.7 -38.9 24.4 53.7 7.0 36 42 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.935 113.8 47.6 -68.2 -45.4 22.0 56.4 8.4 37 43 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.910 112.8 48.6 -60.6 -44.6 24.9 58.3 10.0 38 44 A L H X S+ 0 0 9 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.793 111.9 49.7 -66.8 -28.9 27.0 58.1 6.8 39 45 A A H X S+ 0 0 2 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.774 109.1 51.1 -80.1 -28.6 24.0 59.3 4.8 40 46 A L H <>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 3,-0.4 0.825 104.6 59.2 -74.0 -31.6 23.4 62.2 7.2 41 47 A A H ><5S+ 0 0 9 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.914 98.6 57.7 -61.2 -43.0 27.1 63.0 6.7 42 48 A E H 3<5S+ 0 0 147 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 101.0 56.6 -56.7 -32.1 26.4 63.4 2.9 43 49 A M T 3<5S- 0 0 58 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.258 126.4-104.7 -84.3 12.8 23.9 66.1 3.9 44 50 A G T < 5S+ 0 0 59 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.834 74.0 140.3 69.7 34.8 26.7 67.9 5.6 45 51 A V < - 0 0 4 -5,-1.5 2,-0.5 -8,-0.1 -1,-0.2 -0.918 54.2-122.3-112.1 135.6 25.7 67.0 9.2 46 52 A Q E -a 3 0A 52 -44,-3.2 -42,-2.8 -2,-0.4 2,-0.5 -0.636 32.7-166.5 -75.9 123.7 28.3 66.1 11.9 47 53 A V E -ac 4 75A 0 27,-2.9 29,-2.8 -2,-0.5 2,-0.6 -0.956 12.9-167.3-121.1 124.1 27.5 62.7 13.3 48 54 A D E -ac 5 76A 0 -44,-2.0 -42,-3.1 -2,-0.5 2,-1.0 -0.914 6.9-160.1-109.9 109.6 28.9 61.2 16.5 49 55 A I E -ac 6 77A 0 27,-1.3 29,-2.0 -2,-0.6 2,-0.8 -0.779 13.8-161.9 -88.9 102.3 28.3 57.4 16.9 50 56 A I E +ac 7 78A 2 -44,-2.5 -42,-2.4 -2,-1.0 29,-0.2 -0.778 24.9 149.2 -94.4 106.2 28.8 56.9 20.6 51 57 A T E - c 0 79A 0 27,-1.6 29,-2.1 -2,-0.8 2,-0.4 -0.301 49.4 -67.9-114.1-161.5 29.4 53.3 21.5 52 58 A R E - c 0 80A 4 -41,-0.4 2,-0.4 -44,-0.3 27,-0.1 -0.803 36.3-128.6-103.5 139.0 31.4 51.5 24.2 53 59 A R - 0 0 66 27,-1.6 29,-0.5 -2,-0.4 2,-0.4 -0.667 28.4-162.9 -81.1 129.9 35.2 51.5 24.6 54 60 A I - 0 0 1 8,-2.8 2,-0.3 -2,-0.4 32,-0.2 -0.964 20.9-175.6-121.8 131.4 36.5 48.0 25.0 55 61 A K + 0 0 111 30,-2.5 2,-0.4 -2,-0.4 30,-0.1 -0.618 43.9 122.5-121.4 69.0 39.9 46.9 26.3 56 62 A D B > -I 59 0C 25 3,-0.6 3,-2.0 -2,-0.3 6,-0.2 -0.999 60.1-138.9-133.6 129.1 39.7 43.1 25.8 57 63 A E T 3 S+ 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 29,-0.0 0.628 104.4 61.2 -62.8 -14.3 42.1 41.0 23.8 58 64 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.610 114.6 35.5 -86.1 -12.9 39.3 38.9 22.4 59 65 A W B X S+I 56 0C 38 -3,-2.0 3,-1.2 1,-0.1 -3,-0.6 -0.560 75.3 159.6-136.3 65.0 37.9 42.1 20.9 60 66 A P G > + 0 0 61 0, 0.0 3,-0.6 0, 0.0 -3,-0.1 0.629 60.6 71.6 -64.3 -19.3 41.1 44.0 19.9 61 67 A E G 3 S+ 0 0 75 1,-0.2 3,-0.1 2,-0.1 -43,-0.1 0.497 89.5 60.6 -80.8 -2.1 39.5 46.3 17.4 62 68 A F G < + 0 0 0 -3,-1.2 -8,-2.8 -6,-0.2 -1,-0.2 -0.158 69.9 101.3-120.2 43.8 37.7 48.5 19.9 63 69 A S < + 0 0 42 -3,-0.6 -1,-0.1 -10,-0.2 -2,-0.1 0.924 59.4 79.9 -88.7 -53.7 40.5 50.0 22.1 64 70 A G S S- 0 0 36 1,-0.1 -10,-0.2 -3,-0.1 15,-0.1 -0.190 72.4-137.6 -57.8 147.6 40.9 53.5 20.8 65 71 A E S S+ 0 0 68 13,-0.1 14,-3.3 1,-0.1 2,-0.4 0.777 87.9 46.1 -77.4 -27.2 38.4 56.2 21.9 66 72 A I E +D 78 0A 68 12,-0.2 2,-0.3 2,-0.0 12,-0.2 -0.933 64.1 158.8-120.9 141.8 38.1 57.7 18.5 67 73 A D E -D 77 0A 40 10,-1.6 10,-2.2 -2,-0.4 2,-0.3 -0.957 15.5-158.1-151.3 166.0 37.7 56.0 15.1 68 74 A Y E -D 76 0A 95 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.915 20.1-113.2-144.6 169.4 36.4 56.8 11.6 69 75 A Y E > -D 72 0A 7 6,-0.6 3,-0.6 3,-0.5 6,-0.2 -0.819 27.9-124.7-104.5 146.7 35.1 55.3 8.4 70 76 A Q T 3 S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.878 104.9 64.6 -57.2 -40.1 37.1 55.5 5.2 71 77 A E T 3 S- 0 0 85 2,-0.0 2,-0.2 -3,-0.0 -1,-0.2 0.844 115.4 -12.6 -53.8 -43.7 34.2 57.2 3.3 72 78 A T E < - D 0 69A 38 -3,-0.6 -3,-0.5 3,-0.1 -34,-0.0 -0.862 42.9-132.6-150.2-177.6 34.2 60.5 5.4 73 79 A N E S+ 0 0 90 -2,-0.2 -1,-0.1 -5,-0.1 -3,-0.0 0.328 93.0 81.2-121.2 -3.3 35.4 62.4 8.5 74 80 A K E S+ 0 0 85 1,-0.1 -27,-2.9 -28,-0.1 2,-0.7 0.603 82.2 71.5 -78.9 -13.7 31.9 63.7 9.3 75 81 A V E -c 47 0A 0 -29,-0.2 -6,-0.6 -6,-0.2 2,-0.6 -0.913 69.4-175.3-106.2 108.4 31.1 60.4 11.0 76 82 A R E -cD 48 68A 30 -29,-2.8 -27,-1.3 -2,-0.7 2,-0.8 -0.911 16.7-148.7-111.6 114.0 33.1 60.1 14.2 77 83 A I E -cD 49 67A 0 -10,-2.2 -10,-1.6 -2,-0.6 2,-0.6 -0.690 17.4-167.9 -81.0 111.9 33.0 56.9 16.2 78 84 A V E -cD 50 66A 0 -29,-2.0 -27,-1.6 -2,-0.8 2,-0.5 -0.904 4.1-159.0-106.8 116.3 33.4 57.9 19.9 79 85 A R E -c 51 0A 3 -14,-3.3 -27,-0.3 -2,-0.6 -29,-0.1 -0.822 4.7-162.7 -97.4 127.5 34.0 55.0 22.3 80 86 A I E -c 52 0A 3 -29,-2.1 -27,-1.6 -2,-0.5 2,-0.2 -0.939 15.0-132.3-113.2 125.3 33.2 55.6 26.0 81 87 A P + 0 0 38 0, 0.0 2,-0.2 0, 0.0 22,-0.1 -0.499 43.2 137.3 -75.7 139.3 34.6 53.3 28.7 82 88 A F + 0 0 3 2,-0.6 14,-0.1 -29,-0.5 15,-0.1 -0.834 50.3 33.5-179.3 140.9 32.3 52.0 31.4 83 89 A G S S- 0 0 16 -2,-0.2 2,-0.2 13,-0.1 3,-0.1 0.821 118.7 -60.0 77.7 31.8 31.5 48.8 33.2 84 90 A G - 0 0 47 1,-0.1 -2,-0.6 -30,-0.0 4,-0.1 -0.593 64.8 -80.2 96.9-160.4 35.1 47.7 33.3 85 91 A D S S+ 0 0 89 -2,-0.2 -30,-2.5 -4,-0.1 -1,-0.1 0.677 95.1 90.7-114.9 -34.9 37.4 47.0 30.3 86 92 A K S S- 0 0 156 -32,-0.2 -30,-0.1 1,-0.1 0, 0.0 -0.318 90.8 -84.0 -68.6 147.0 36.3 43.5 29.2 87 93 A F - 0 0 30 1,-0.1 -1,-0.1 -33,-0.1 -2,-0.1 -0.020 44.3-156.6 -46.3 152.0 33.6 43.0 26.6 88 94 A L - 0 0 31 -77,-0.1 -77,-0.2 -3,-0.1 4,-0.1 -0.970 14.5-126.3-141.3 121.6 30.0 43.1 27.9 89 95 A P > - 0 0 50 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.338 37.0-106.6 -62.2 148.2 26.9 41.6 26.3 90 96 A K G > S+ 0 0 30 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.820 119.2 65.4 -44.4 -37.4 24.1 44.1 25.8 91 97 A E G 3 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.1 83,-0.0 0.235 100.2 52.6 -74.5 17.8 22.2 42.5 28.7 92 98 A E G < S+ 0 0 70 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.366 86.4 79.3-129.5 -2.6 24.9 43.6 31.1 93 99 A L X> + 0 0 1 -3,-1.5 3,-2.4 -4,-0.3 4,-1.4 0.727 67.2 90.6 -80.6 -24.2 25.1 47.3 30.3 94 100 A W G >4 S+ 0 0 23 -4,-0.4 3,-0.8 1,-0.3 4,-0.4 0.860 86.0 47.3 -39.4 -59.3 22.1 48.2 32.4 95 101 A P G 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.566 119.2 41.2 -65.8 -5.9 23.9 48.9 35.7 96 102 A Y G X> S+ 0 0 96 -3,-2.4 4,-1.9 2,-0.1 3,-1.3 0.519 80.2 95.6-119.6 -7.0 26.6 51.0 33.9 97 103 A L H S+ 0 0 105 -4,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.868 103.7 46.7 -70.3 -35.3 24.6 55.9 34.0 99 105 A E H <> S+ 0 0 57 -3,-1.3 4,-2.5 2,-0.2 5,-0.3 0.905 107.2 59.1 -69.0 -41.9 28.4 56.1 33.9 100 106 A Y H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.918 105.7 48.4 -50.4 -50.0 28.2 56.0 30.1 101 107 A V H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.894 109.3 52.8 -60.3 -43.5 26.1 59.2 30.2 102 108 A N H X S+ 0 0 70 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.923 108.9 47.4 -60.6 -47.4 28.5 61.0 32.6 103 109 A K H X S+ 0 0 71 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.774 109.6 57.9 -66.5 -22.3 31.6 60.3 30.4 104 110 A I H X S+ 0 0 2 -4,-1.3 4,-2.1 -5,-0.3 5,-0.2 0.942 107.4 44.0 -71.2 -47.9 29.5 61.6 27.5 105 111 A I H X S+ 0 0 27 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.883 113.1 52.6 -64.1 -38.2 28.8 65.0 29.2 106 112 A N H X S+ 0 0 84 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.906 107.4 53.4 -62.7 -42.3 32.5 65.2 30.2 107 113 A F H >X S+ 0 0 30 -4,-1.8 4,-2.0 1,-0.2 3,-0.7 0.982 115.3 37.1 -55.6 -62.9 33.5 64.5 26.6 108 114 A Y H 3X>S+ 0 0 4 -4,-2.1 5,-1.2 1,-0.2 4,-0.8 0.665 110.4 64.5 -65.7 -16.4 31.4 67.3 25.1 109 115 A R H 3<5S+ 0 0 152 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.882 106.1 43.3 -73.4 -37.3 32.2 69.5 28.2 110 116 A E H <<5S+ 0 0 144 -4,-1.9 -2,-0.2 -3,-0.7 -1,-0.1 0.930 112.6 50.0 -71.8 -47.8 35.9 69.5 27.1 111 117 A E H <5S- 0 0 63 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.745 105.2-135.2 -62.7 -20.6 35.2 70.1 23.4 112 118 A G T <5S+ 0 0 67 -4,-0.8 2,-0.3 -5,-0.2 -3,-0.2 0.736 73.1 97.0 71.9 22.3 33.0 72.9 24.7 113 119 A K < - 0 0 118 -5,-1.2 -2,-0.2 2,-0.0 -1,-0.2 -0.966 55.4-160.9-146.8 125.3 30.2 71.8 22.3 114 120 A F - 0 0 54 -2,-0.3 -111,-0.1 -3,-0.1 -9,-0.0 -0.891 34.1-102.4-108.4 135.6 27.2 69.7 22.9 115 121 A P - 0 0 3 0, 0.0 -111,-0.2 0, 0.0 3,-0.1 -0.151 24.6-133.4 -50.4 147.3 25.2 68.0 20.1 116 122 A Q S S+ 0 0 80 -113,-2.2 2,-0.3 1,-0.2 -112,-0.2 0.906 84.0 5.7 -71.3 -42.0 22.0 69.8 19.2 117 123 A V E -b 4 0A 0 -114,-0.9 -112,-1.4 21,-0.1 2,-0.3 -0.897 69.1-141.9-137.3 166.7 19.9 66.7 19.1 118 124 A V E -be 5 140A 2 21,-2.1 23,-2.0 -2,-0.3 2,-0.5 -0.978 2.0-155.7-136.2 145.2 20.4 63.0 19.9 119 125 A T E -be 6 141A 0 -114,-3.3 -112,-2.9 -2,-0.3 2,-0.3 -0.984 15.8-162.0-119.6 123.2 19.2 59.7 18.4 120 126 A T E -be 7 142A 0 21,-3.5 23,-1.2 -2,-0.5 2,-0.4 -0.809 0.6-158.5-105.4 148.5 19.1 56.7 20.7 121 127 A H E > - e 0 143A 0 -114,-1.9 4,-0.6 -2,-0.3 23,-0.2 -0.983 53.6 -5.4-133.7 124.7 18.9 53.1 19.5 122 128 A Y H > S- 0 0 13 21,-2.2 4,-2.8 -2,-0.4 5,-0.2 0.129 94.1 -69.7 79.1 162.2 17.7 50.1 21.5 123 129 A G H > S+ 0 0 0 23,-0.4 4,-2.8 21,-0.3 5,-0.2 0.910 133.6 48.0 -51.2 -53.5 16.6 50.0 25.1 124 130 A D H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 114.1 48.8 -57.2 -40.7 20.1 50.6 26.6 125 131 A G H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.894 111.2 49.0 -66.6 -41.0 20.7 53.4 24.1 126 132 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.925 105.3 56.9 -64.7 -45.0 17.4 55.0 25.0 127 133 A L H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.887 107.5 51.2 -52.0 -40.7 18.0 54.8 28.7 128 134 A A H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.966 107.8 50.2 -61.1 -54.4 21.2 56.8 28.0 129 135 A G H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.808 109.9 52.8 -54.6 -32.6 19.3 59.4 26.1 130 136 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.966 111.6 43.2 -67.5 -54.5 16.8 59.7 28.9 131 137 A L H X S+ 0 0 50 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.912 116.0 50.3 -56.6 -44.3 19.5 60.3 31.6 132 138 A L H X S+ 0 0 6 -4,-3.1 4,-2.5 1,-0.2 6,-0.6 0.829 111.6 47.0 -65.0 -34.1 21.3 62.6 29.2 133 139 A K H X S+ 0 0 54 -4,-1.8 4,-0.9 -5,-0.3 -1,-0.2 0.823 108.5 56.0 -76.7 -31.0 18.1 64.6 28.6 134 140 A N H < S+ 0 0 118 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.683 118.8 33.3 -72.7 -18.1 17.4 64.7 32.3 135 141 A I H < S+ 0 0 87 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.854 134.4 19.0-103.4 -52.2 20.8 66.3 32.8 136 142 A K H < S- 0 0 105 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.484 95.0-123.3-100.8 -5.2 21.6 68.5 29.8 137 143 A G < + 0 0 51 -4,-0.9 -4,-0.2 -5,-0.4 -3,-0.1 0.823 51.4 161.4 67.8 32.0 18.1 68.9 28.4 138 144 A L - 0 0 24 -6,-0.6 -1,-0.2 -9,-0.1 -21,-0.1 -0.769 36.9-128.0 -91.2 122.8 19.0 67.5 25.0 139 145 A P - 0 0 25 0, 0.0 -21,-2.1 0, 0.0 2,-0.3 -0.361 32.9-175.7 -66.8 143.3 16.0 66.3 22.9 140 146 A F E -e 118 0A 1 44,-0.3 46,-2.4 -23,-0.2 47,-0.6 -0.941 22.2-138.0-141.9 162.7 16.3 62.8 21.5 141 147 A T E -ef 119 187A 0 -23,-2.0 -21,-3.5 -2,-0.3 2,-0.4 -0.856 20.6-140.4-116.0 153.4 14.6 60.3 19.2 142 148 A F E -ef 120 188A 0 45,-2.7 47,-2.8 -2,-0.3 2,-0.4 -0.937 15.7-176.6-121.4 142.4 14.2 56.6 19.9 143 149 A T E -e 121 0A 5 -23,-1.2 -21,-2.2 -2,-0.4 47,-0.1 -0.919 9.1-163.8-136.5 104.7 14.5 53.6 17.6 144 150 A G - 0 0 1 -2,-0.4 2,-1.5 45,-0.4 -21,-0.3 0.876 5.8-176.2 -56.9 -46.5 13.7 50.3 19.2 145 151 A H S S+ 0 0 58 -23,-0.1 -1,-0.2 -24,-0.1 2,-0.2 -0.014 83.3 7.3 69.7 -34.5 15.2 47.9 16.6 146 152 A S S S- 0 0 62 -2,-1.5 -23,-0.4 -3,-0.1 2,-0.2 -0.596 79.4-146.1-177.2 108.4 13.8 45.2 18.8 147 153 A L > - 0 0 3 -2,-0.2 4,-1.0 1,-0.1 3,-0.1 -0.501 18.0-127.6 -84.6 151.2 11.6 45.7 21.9 148 154 A G H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.892 101.9 64.0 -62.0 -43.9 11.7 43.5 25.0 149 155 A A H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 102.1 49.0 -46.9 -54.1 8.0 42.7 25.1 150 156 A Q H 3> S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.813 109.8 51.7 -59.3 -34.0 8.1 40.8 21.8 151 157 A K H << S+ 0 0 94 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.940 106.3 52.9 -69.1 -46.5 11.1 38.7 22.8 152 158 A M H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 104.0 64.2 -54.7 -35.3 9.4 37.7 26.1 153 159 A E H >< S+ 0 0 113 -4,-1.6 3,-1.0 -5,-0.3 2,-0.5 0.978 94.8 53.2 -52.7 -77.5 6.6 36.6 23.8 154 160 A K T 3< S+ 0 0 194 -4,-1.4 -1,-0.1 1,-0.3 3,-0.0 -0.509 125.7 20.9 -63.8 115.1 8.2 33.8 21.8 155 161 A L T 3 S- 0 0 59 -2,-0.5 -1,-0.3 1,-0.0 -2,-0.1 0.842 104.2-148.3 89.0 41.8 9.6 31.7 24.6 156 162 A N < - 0 0 42 -3,-1.0 2,-1.0 1,-0.1 5,-0.2 0.092 13.4-124.6 -43.6 150.8 7.1 33.2 27.1 157 163 A V + 0 0 40 -5,-0.2 2,-2.5 3,-0.1 -1,-0.1 -0.579 35.3 172.7-100.1 69.5 7.9 33.6 30.7 158 164 A N - 0 0 74 -2,-1.0 2,-1.3 1,-0.2 4,-0.2 -0.259 66.8 -89.7 -74.9 53.9 5.0 31.7 32.2 159 165 A T S > S+ 0 0 133 -2,-2.5 3,-0.7 2,-0.3 4,-0.3 0.167 128.9 78.2 61.7 -25.3 6.4 31.9 35.7 160 166 A S T 3 S+ 0 0 117 -2,-1.3 2,-1.1 1,-0.3 3,-0.4 0.966 104.3 31.3 -71.5 -56.1 8.1 28.7 34.8 161 167 A N T 3 S+ 0 0 30 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.3 -0.585 95.2 111.6 -98.4 65.8 10.7 30.6 32.9 162 168 A F S <> S+ 0 0 31 -2,-1.1 4,-1.3 -3,-0.7 -1,-0.2 0.812 82.5 23.6-105.5 -48.2 10.5 33.6 35.1 163 169 A K H > S+ 0 0 59 -3,-0.4 4,-1.1 -4,-0.3 -2,-0.1 0.840 122.7 53.6 -87.7 -37.0 13.8 33.8 37.0 164 170 A E H > S+ 0 0 71 -4,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.826 114.8 42.9 -65.9 -32.9 15.9 31.9 34.5 165 171 A M H >> S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 3,-0.8 0.933 115.2 45.9 -77.8 -50.1 14.7 34.2 31.8 166 172 A D H 3X S+ 0 0 49 -4,-1.3 4,-0.8 1,-0.3 -2,-0.2 0.685 114.5 53.8 -65.7 -16.2 15.1 37.4 33.7 167 173 A E H 3< S+ 0 0 45 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.707 115.0 36.4 -89.5 -23.0 18.4 36.0 34.8 168 174 A R H << S+ 0 0 50 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.445 136.4 20.0-106.8 -3.1 19.6 35.4 31.2 169 175 A F H < S- 0 0 58 -4,-1.5 5,-0.2 -77,-0.0 -3,-0.2 0.399 86.2-132.8-143.7 -3.1 18.0 38.5 29.7 170 176 A K >X + 0 0 35 -4,-0.8 4,-2.3 -5,-0.4 3,-1.1 0.894 40.5 167.1 44.6 49.0 17.4 41.0 32.5 171 177 A F H 3> + 0 0 14 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.854 69.2 56.7 -61.2 -38.0 13.8 41.5 31.1 172 178 A H H 34 S+ 0 0 110 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.651 111.6 45.5 -70.6 -12.2 12.6 43.4 34.1 173 179 A R H <> S+ 0 0 112 -3,-1.1 4,-1.4 2,-0.1 -2,-0.2 0.861 113.9 46.8 -91.7 -46.9 15.4 45.8 33.6 174 180 A R H X S+ 0 0 9 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.922 109.3 52.3 -60.6 -51.2 15.0 46.3 29.9 175 181 A I H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.914 110.9 47.1 -55.3 -47.1 11.2 46.8 29.9 176 182 A I H > S+ 0 0 97 -4,-0.4 4,-1.6 -5,-0.3 -1,-0.2 0.830 114.1 49.7 -65.4 -30.1 11.4 49.5 32.6 177 183 A A H X S+ 0 0 5 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.895 109.6 49.7 -73.8 -41.4 14.2 51.1 30.5 178 184 A E H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.779 109.4 53.7 -67.8 -27.6 12.2 50.9 27.3 179 185 A R H X S+ 0 0 71 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.908 106.8 49.3 -74.2 -43.6 9.3 52.5 29.0 180 186 A L H X S+ 0 0 67 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.900 111.2 51.6 -61.1 -41.2 11.3 55.5 30.3 181 187 A T H X S+ 0 0 0 -4,-1.8 4,-3.7 2,-0.2 -2,-0.2 0.960 111.3 45.2 -60.4 -53.5 12.7 56.0 26.8 182 188 A M H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.932 113.6 52.4 -54.7 -46.9 9.2 56.0 25.2 183 189 A S H < S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 121.6 29.5 -58.0 -40.0 8.0 58.3 28.0 184 190 A Y H < S+ 0 0 98 -4,-2.3 -44,-0.3 -3,-0.2 -2,-0.2 0.698 90.0 118.1 -95.0 -23.6 10.8 60.8 27.4 185 191 A A < - 0 0 6 -4,-3.7 3,-0.2 -5,-0.2 -44,-0.2 -0.188 52.7-155.1 -50.3 127.3 11.4 60.3 23.7 186 192 A D S S+ 0 0 53 -46,-2.4 2,-0.2 1,-0.3 -45,-0.2 0.630 85.9 5.0 -78.2 -14.2 10.7 63.5 21.7 187 193 A K E -f 141 0A 8 -47,-0.6 -45,-2.7 2,-0.0 2,-0.7 -0.817 65.3-150.3-170.6 126.0 10.1 61.2 18.7 188 194 A I E -fg 142 217A 0 28,-2.6 30,-1.3 -2,-0.2 2,-0.5 -0.914 20.7-149.0-104.9 115.4 9.9 57.4 18.4 189 195 A I E - g 0 218A 1 -47,-2.8 -45,-0.4 -2,-0.7 2,-0.3 -0.737 15.9-175.4 -89.8 127.4 10.9 56.3 14.9 190 196 A V E - g 0 219A 1 28,-2.6 30,-2.4 -2,-0.5 3,-0.1 -0.902 28.2-139.3-119.8 148.6 9.3 53.2 13.4 191 197 A S S S+ 0 0 29 -2,-0.3 2,-0.3 28,-0.2 -1,-0.1 0.838 89.0 11.3 -74.4 -33.1 10.1 51.5 10.1 192 198 A T S >> S- 0 0 58 28,-0.1 4,-1.2 29,-0.1 3,-0.5 -0.931 75.8-113.3-140.7 162.5 6.5 50.7 9.4 193 199 A S H 3> S+ 0 0 65 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.794 115.4 62.8 -68.3 -25.9 3.1 51.8 10.8 194 200 A Q H 3>>S+ 0 0 158 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.844 97.2 57.0 -66.7 -32.4 2.6 48.2 12.0 195 201 A E H <>>S+ 0 0 20 -3,-0.5 4,-2.1 3,-0.2 5,-1.4 0.936 110.9 44.5 -62.5 -44.5 5.6 48.5 14.3 196 202 A R H X5S+ 0 0 19 -4,-1.2 4,-0.5 3,-0.2 -2,-0.2 0.962 124.3 30.8 -64.1 -56.7 3.9 51.5 15.9 197 203 A F H <5S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.748 130.2 38.1 -77.8 -23.3 0.4 50.1 16.3 198 204 A G H <5S+ 0 0 50 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.770 125.5 26.7-100.9 -28.6 1.5 46.5 16.7 199 205 A Q H >< S+ 0 0 118 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 0.851 109.9 68.4 -45.0 -46.8 0.6 45.9 27.6 204 210 A L G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.1 -25,-0.1 0.548 102.1 48.6 -54.7 -7.5 4.1 46.2 29.2 205 211 A Y G X> S+ 0 0 1 -3,-2.4 3,-1.5 4,-0.0 4,-1.5 0.367 78.0 127.8-115.5 3.5 4.3 49.7 27.7 206 212 A R T <4 S+ 0 0 179 -3,-2.5 4,-0.1 1,-0.3 -5,-0.0 -0.321 76.3 20.9 -63.3 141.2 1.0 51.2 28.7 207 213 A G T 34 S+ 0 0 86 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.122 117.8 70.9 87.5 -22.3 1.2 54.5 30.5 208 214 A A T <4 S+ 0 0 12 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.792 106.8 18.7 -93.7 -35.6 4.6 55.0 28.9 209 215 A V < - 0 0 20 -4,-1.5 2,-0.7 -9,-0.1 -2,-0.4 -0.998 57.4-150.3-142.0 143.2 3.5 55.5 25.3 210 216 A N > - 0 0 84 -2,-0.3 3,-2.2 1,-0.1 6,-0.2 -0.872 9.2-168.0-113.7 96.2 0.3 56.5 23.5 211 217 A V T 3 S+ 0 0 27 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.667 82.2 68.2 -56.6 -20.6 0.3 54.9 20.0 212 218 A E T 3 S+ 0 0 150 -3,-0.1 2,-1.0 1,-0.0 -1,-0.3 0.682 75.6 98.4 -74.7 -16.4 -2.6 57.1 18.9 213 219 A D X - 0 0 67 -3,-2.2 3,-1.2 1,-0.2 4,-0.5 -0.611 51.6-174.7 -76.8 104.5 -0.4 60.2 19.0 214 220 A D G > S+ 0 0 117 -2,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.827 84.5 61.6 -66.7 -29.9 0.7 60.8 15.4 215 221 A D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.602 100.0 55.6 -71.9 -10.9 3.0 63.6 16.7 216 222 A K G < S+ 0 0 36 -3,-1.2 -28,-2.6 -6,-0.2 2,-0.3 0.594 107.0 55.0 -96.1 -14.3 4.9 61.1 18.8 217 223 A F E < -g 188 0A 7 -3,-0.9 2,-0.3 -4,-0.5 -28,-0.2 -0.808 54.3-172.6-122.5 161.6 5.8 58.8 15.9 218 224 A S E -g 189 0A 24 -30,-1.3 -28,-2.6 -2,-0.3 2,-0.7 -0.949 20.2-137.5-152.7 128.3 7.5 58.9 12.5 219 225 A V E +g 190 0A 77 -2,-0.3 -28,-0.2 -30,-0.2 -26,-0.1 -0.808 32.4 159.9 -94.1 113.6 7.7 56.2 9.9 220 226 A I - 0 0 11 -30,-2.4 -28,-0.1 -2,-0.7 222,-0.1 -0.868 26.1-150.2-135.9 98.7 11.2 56.0 8.3 221 227 A P - 0 0 62 0, 0.0 224,-0.1 0, 0.0 -29,-0.1 -0.335 22.6-109.1 -69.2 147.0 12.0 52.7 6.6 222 228 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 217,-0.1 -0.309 41.0-118.4 -69.6 162.5 15.5 51.4 6.4 223 229 A G - 0 0 7 1,-0.1 215,-0.3 -191,-0.1 216,-0.1 -0.600 21.4 -91.0-107.6 168.4 17.1 51.5 2.9 224 230 A V B -j 438 0D 2 213,-3.0 2,-1.7 -2,-0.2 215,-0.5 -0.333 45.6-103.0 -70.2 152.5 18.6 49.0 0.4 225 231 A N > + 0 0 40 1,-0.2 4,-2.5 213,-0.1 3,-0.3 -0.586 48.3 167.1 -79.3 85.8 22.3 48.2 0.5 226 232 A T T 4 + 0 0 54 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.0 0.564 67.7 71.0 -78.7 -8.1 23.5 50.3 -2.4 227 233 A R T 4 S+ 0 0 105 -3,-0.1 3,-0.3 1,-0.1 -1,-0.2 0.925 113.8 28.1 -69.4 -43.1 27.1 49.8 -1.4 228 234 A V T 4 S+ 0 0 26 -3,-0.3 2,-2.1 1,-0.2 4,-0.3 0.954 121.2 52.2 -78.9 -59.0 26.7 46.2 -2.6 229 235 A F < + 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.475 67.6 135.6 -83.1 70.7 24.0 46.6 -5.2 230 236 A D S S- 0 0 70 -2,-2.1 -1,-0.2 -3,-0.3 3,-0.1 0.332 75.8-109.0 -98.1 2.5 25.8 49.4 -7.1 231 237 A G S S+ 0 0 27 1,-0.3 2,-0.2 -3,-0.2 -2,-0.1 0.695 83.3 112.9 77.0 18.2 25.1 48.0 -10.5 232 238 A E - 0 0 132 -4,-0.3 115,-0.3 0, 0.0 2,-0.3 -0.723 45.8-162.6-118.3 168.7 28.8 47.0 -11.0 233 239 A Y - 0 0 91 -2,-0.2 2,-0.2 114,-0.2 108,-0.1 -0.983 15.3-126.0-155.7 142.5 30.6 43.7 -11.3 234 240 A G > - 0 0 44 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.482 27.0-117.7 -85.8 157.7 34.2 42.4 -11.1 235 241 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.836 111.9 57.5 -62.4 -32.5 35.9 40.4 -13.7 236 242 A K H > S+ 0 0 189 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 107.0 45.0 -66.2 -44.5 36.2 37.4 -11.4 237 243 A I H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.846 109.7 57.8 -68.6 -33.0 32.5 37.0 -10.7 238 244 A K H X S+ 0 0 74 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.936 107.7 46.7 -60.4 -46.7 31.9 37.4 -14.4 239 245 A A H X S+ 0 0 56 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.912 110.6 52.0 -62.1 -45.1 34.1 34.4 -15.1 240 246 A K H X S+ 0 0 51 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.946 113.1 44.8 -56.9 -50.7 32.4 32.4 -12.4 241 247 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.4 0.952 112.9 50.5 -58.1 -52.6 29.0 33.1 -13.8 242 248 A T H X S+ 0 0 33 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.892 105.8 56.9 -53.2 -43.8 30.1 32.4 -17.4 243 249 A K H X S+ 0 0 161 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.895 110.4 43.6 -57.1 -42.7 31.6 29.1 -16.3 244 250 A Y H X S+ 0 0 19 -4,-1.7 4,-1.6 -3,-0.4 5,-0.3 0.897 113.2 51.8 -70.3 -40.6 28.3 27.9 -15.0 245 251 A L H X S+ 0 0 19 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.923 108.0 49.7 -63.0 -45.3 26.4 29.2 -18.0 246 252 A E H < S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 109.9 56.8 -64.1 -23.7 28.6 27.5 -20.5 247 253 A R H < S+ 0 0 91 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.858 120.0 23.3 -76.0 -39.5 28.1 24.4 -18.4 248 254 A D H < S+ 0 0 20 -4,-1.6 81,-0.3 -3,-0.3 83,-0.3 0.685 112.6 73.3-101.8 -22.4 24.3 24.2 -18.5 249 255 A L S < S- 0 0 14 -4,-2.9 81,-0.2 -5,-0.3 2,-0.1 -0.656 83.2-107.4 -98.5 152.7 23.5 26.2 -21.6 250 256 A G > - 0 0 21 79,-2.0 3,-1.6 -2,-0.3 4,-0.1 -0.417 29.4-118.7 -71.5 149.5 23.9 25.3 -25.3 251 257 A S T 3 S+ 0 0 116 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.613 110.7 63.8 -64.9 -12.4 26.7 27.0 -27.2 252 258 A E T 3 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.621 104.5 44.9 -87.4 -12.6 24.2 28.5 -29.6 253 259 A R S X S+ 0 0 64 -3,-1.6 3,-1.0 76,-0.1 -1,-0.2 0.140 70.7 109.5-118.5 21.3 22.4 30.6 -26.8 254 260 A M T 3 S+ 0 0 41 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.506 81.8 55.1 -74.6 -0.8 25.3 32.1 -24.9 255 261 A E T 3 S+ 0 0 153 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.529 84.0 101.7-106.6 -9.5 24.3 35.5 -26.3 256 262 A L S < S- 0 0 47 -3,-1.0 32,-0.2 1,-0.1 98,-0.1 -0.436 76.9-111.9 -74.6 149.4 20.7 35.5 -25.3 257 263 A P - 0 0 25 0, 0.0 32,-2.2 0, 0.0 2,-0.3 -0.157 35.9-120.4 -71.2 175.8 19.7 37.6 -22.2 258 264 A A E -k 289 0E 7 91,-0.3 97,-3.0 30,-0.2 2,-0.6 -0.847 10.0-144.1-125.7 159.7 18.5 35.9 -19.0 259 265 A I E -kl 290 355E 0 30,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.960 33.2-166.5-116.1 102.7 15.5 35.7 -16.7 260 266 A I E -kl 291 356E 0 95,-2.1 97,-2.2 -2,-0.6 2,-0.5 -0.857 15.5-178.1-105.2 126.7 17.1 35.4 -13.2 261 267 A A E -k 292 0E 5 30,-2.2 32,-1.6 -2,-0.5 2,-0.4 -0.981 3.9-178.5-117.6 125.4 15.2 34.3 -10.1 262 268 A S + 0 0 13 -2,-0.5 2,-0.3 95,-0.4 32,-0.1 -0.751 31.5 112.1-130.9 87.1 17.3 34.3 -6.9 263 269 A S S S- 0 0 17 -2,-0.4 -2,-0.1 30,-0.4 8,-0.0 -0.989 71.7 -78.8-151.7 152.8 15.4 33.2 -3.8 264 270 A R - 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0 0 2 -5,-2.8 -1,-0.3 -6,-0.1 -22,-0.2 -0.830 54.1-127.4 -98.5 125.3 17.7 44.7 -13.9 378 384 A P - 0 0 2 0, 0.0 -22,-2.9 0, 0.0 2,-0.5 -0.422 34.3-123.8 -63.4 145.1 14.2 45.5 -15.1 379 385 A A E +n 356 0E 3 17,-0.4 19,-3.1 -24,-0.2 2,-0.7 -0.852 31.2 178.8-109.4 125.3 11.7 43.8 -12.7 380 386 A V E +no 357 398E 0 -24,-3.1 -22,-1.5 -2,-0.5 19,-0.2 -0.885 34.7 156.1-114.6 93.4 9.0 41.3 -13.6 381 387 A V E -no 358 399E 0 17,-2.0 19,-1.9 -2,-0.7 -22,-0.2 -0.633 46.4 -72.5-119.8 176.1 7.5 40.5 -10.2 382 388 A T E - o 0 400E 0 -24,-1.3 19,-0.2 17,-0.2 6,-0.1 -0.420 30.7-140.6 -68.6 136.4 4.3 39.2 -8.5 383 389 A R S S+ 0 0 122 17,-2.6 2,-0.6 -2,-0.1 -1,-0.1 0.548 82.2 86.0 -74.9 -4.9 1.4 41.7 -8.4 384 390 A N S S- 0 0 57 16,-0.3 -21,-1.1 -24,-0.3 2,-0.2 -0.862 89.3 -7.0-104.9 114.8 0.7 40.5 -4.8 385 391 A G B >> S-q 363 0G 28 -2,-0.6 3,-1.7 -23,-0.2 4,-0.9 -0.642 113.7 -18.1 110.1-166.9 2.5 42.2 -2.0 386 392 A G H 3> S+ 0 0 6 -23,-2.8 4,-2.2 1,-0.3 3,-0.5 0.806 121.3 69.5 -48.8 -38.0 5.3 44.6 -1.5 387 393 A P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.845 97.8 52.3 -52.5 -34.7 6.6 44.1 -5.1 388 394 A A H <4>S+ 0 0 21 -3,-1.7 5,-1.7 2,-0.2 6,-0.4 0.878 108.6 48.9 -69.6 -38.4 3.5 45.9 -6.4 389 395 A E H <5S+ 0 0 90 -4,-0.9 3,-0.2 -3,-0.5 -1,-0.2 0.868 110.5 52.5 -68.1 -37.2 4.0 48.9 -4.1 390 396 A I H <5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.7 38.3 -63.7 -48.4 7.7 49.1 -5.2 391 397 A L T >X>S- 0 0 1 -4,-2.1 5,-2.2 -5,-0.2 4,-1.3 0.473 109.4-131.3 -81.1 -2.0 6.8 49.1 -8.9 392 398 A D G >45S- 0 0 81 -4,-0.4 3,-1.3 1,-0.3 -3,-0.2 0.958 72.8 -37.3 48.7 68.4 3.8 51.3 -8.0 393 399 A G G 34 - 0 0 24 -2,-0.3 3,-1.5 3,-0.2 7,-0.4 -0.756 26.0-153.3 -85.4 115.5 -0.2 37.0 -11.6 402 408 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -41,-0.1 0.614 92.6 54.5 -62.9 -15.6 1.8 34.3 -9.7 403 409 A E T 3 S+ 0 0 146 1,-0.2 -42,-0.0 -42,-0.1 -2,-0.0 0.499 99.2 65.6 -98.3 -6.0 -0.9 31.7 -10.2 404 410 A D X> - 0 0 54 -3,-1.5 4,-2.1 1,-0.1 3,-0.9 -0.836 58.6-172.2-121.1 94.1 -1.1 32.0 -14.0 405 411 A P H 3> S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.825 88.8 58.9 -52.4 -34.3 2.2 30.9 -15.7 406 412 A E H 3> S+ 0 0 149 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 106.6 47.8 -62.1 -39.6 0.8 32.2 -19.1 407 413 A D H <> S+ 0 0 30 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.932 108.8 53.2 -65.3 -45.8 0.5 35.7 -17.5 408 414 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 -7,-0.4 -2,-0.2 0.880 108.3 51.6 -55.9 -39.9 4.1 35.3 -16.1 409 415 A A H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.877 108.1 51.2 -65.7 -38.6 5.2 34.6 -19.7 410 416 A R H X S+ 0 0 149 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.909 109.5 49.9 -64.8 -43.0 3.4 37.7 -21.0 411 417 A G H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.867 112.9 46.7 -63.7 -37.5 5.1 39.8 -18.4 412 418 A L H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.914 112.3 49.3 -70.6 -43.5 8.5 38.4 -19.2 413 419 A L H < S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.784 106.6 58.3 -66.2 -26.9 7.9 38.8 -23.0 414 420 A K H >< S+ 0 0 95 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.915 103.8 49.6 -69.2 -43.0 6.9 42.4 -22.3 415 421 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 3,-0.2 0.723 117.1 44.0 -67.4 -20.1 10.2 43.3 -20.7 416 422 A F T 3< S+ 0 0 20 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.245 81.6 104.6-106.6 10.2 11.8 41.7 -23.8 417 423 A E S < S- 0 0 106 -3,-1.4 2,-0.3 1,-0.2 -1,-0.1 0.783 93.6 -23.2 -64.2 -27.9 9.5 43.3 -26.4 418 424 A S > - 0 0 51 -4,-0.3 4,-2.5 -3,-0.2 5,-0.3 -0.967 60.9-100.0-175.2 162.6 12.2 45.8 -27.6 419 425 A E H > S+ 0 0 147 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.889 119.7 52.6 -59.7 -41.7 15.3 47.7 -26.7 420 426 A E H > S+ 0 0 153 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 111.9 44.6 -64.2 -39.6 13.3 50.8 -25.9 421 427 A T H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.962 115.0 46.3 -69.5 -52.1 11.0 49.0 -23.5 422 428 A W H X S+ 0 0 37 -4,-2.5 4,-1.1 1,-0.3 -2,-0.2 0.869 115.5 47.8 -57.7 -38.4 13.7 47.1 -21.7 423 429 A S H X S+ 0 0 31 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.3 0.814 106.9 58.1 -73.0 -29.9 15.7 50.2 -21.4 424 430 A A H X S+ 0 0 31 -4,-1.5 4,-2.6 1,-0.2 3,-0.3 0.947 105.4 48.2 -64.3 -49.2 12.7 52.1 -20.2 425 431 A Y H X S+ 0 0 19 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.841 107.9 59.9 -64.7 -24.4 12.2 49.8 -17.2 426 432 A Q H X S+ 0 0 52 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.889 109.9 36.4 -74.0 -38.6 15.8 50.2 -16.4 427 433 A E H X S+ 0 0 101 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.864 119.2 48.5 -80.5 -38.7 15.8 53.8 -15.9 428 434 A K H X S+ 0 0 71 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.936 112.3 51.7 -61.0 -42.3 12.6 53.9 -14.3 429 435 A G H X S+ 0 0 4 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.956 114.5 40.7 -57.1 -54.2 13.8 51.0 -12.1 430 436 A K H X S+ 0 0 62 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.888 114.5 53.4 -62.0 -41.1 17.0 52.7 -11.1 431 437 A Q H X S+ 0 0 82 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.869 107.5 51.5 -62.8 -37.0 15.2 56.1 -10.7 432 438 A R H X>S+ 0 0 25 -4,-2.4 4,-1.4 2,-0.2 5,-0.5 0.880 111.6 46.5 -68.2 -39.3 12.6 54.5 -8.4 433 439 A V H >X5S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 3,-0.5 0.971 114.8 45.9 -66.8 -52.8 15.2 53.0 -6.2 434 440 A E H 3<5S+ 0 0 122 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.856 112.2 53.7 -57.6 -37.6 17.3 56.2 -6.0 435 441 A E H 3<5S- 0 0 116 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.791 133.0 -5.9 -71.6 -29.3 14.1 58.3 -5.4 436 442 A R H <<5S+ 0 0 113 -4,-1.4 -3,-0.2 -3,-0.5 -2,-0.2 0.597 119.4 61.5-143.5 -14.8 12.7 56.3 -2.4 437 443 A Y S <> S-j 224 0D 15 -5,-0.4 4,-1.0 -215,-0.3 3,-0.6 -0.576 81.9-111.8-103.4 168.0 18.1 54.2 -0.4 439 445 A W H 3> S+ 0 0 22 -215,-0.5 4,-2.9 1,-0.2 5,-0.2 0.758 115.5 68.8 -68.2 -23.2 19.6 55.0 3.0 440 446 A Q H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 98.3 50.2 -60.1 -40.4 19.9 58.6 1.8 441 447 A E H <> S+ 0 0 67 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.866 109.6 51.9 -65.8 -35.3 16.1 58.7 2.0 442 448 A T H X S+ 0 0 3 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.947 111.2 44.9 -66.4 -48.6 16.3 57.3 5.5 443 449 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.883 109.0 57.3 -61.8 -39.5 18.8 59.9 6.6 444 450 A R H X S+ 0 0 99 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.889 107.9 49.0 -58.0 -38.8 16.7 62.6 5.0 445 451 A G H X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.956 110.8 48.2 -66.1 -51.2 13.8 61.3 7.1 446 452 A Y H X S+ 0 0 0 -4,-2.4 4,-3.7 1,-0.2 5,-0.2 0.945 108.0 56.0 -54.1 -50.7 15.9 61.4 10.3 447 453 A L H X S+ 0 0 28 -4,-3.3 4,-3.7 1,-0.2 5,-0.3 0.903 106.4 50.3 -48.1 -49.5 17.1 64.9 9.5 448 454 A E H X S+ 0 0 121 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.914 114.4 43.5 -57.4 -45.5 13.5 66.2 9.3 449 455 A V H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.934 115.0 50.3 -64.7 -46.4 12.6 64.7 12.6 450 456 A I H X S+ 0 0 1 -4,-3.7 4,-1.3 1,-0.2 -2,-0.2 0.944 113.0 45.5 -54.8 -52.6 15.9 65.9 14.1 451 457 A Q H X S+ 0 0 54 -4,-3.7 4,-1.4 -5,-0.2 -1,-0.2 0.917 113.9 51.5 -57.9 -46.2 15.2 69.4 12.8 452 458 A E H >X S+ 0 0 82 -4,-2.6 4,-1.9 -5,-0.3 3,-0.7 0.953 111.2 42.9 -58.3 -57.4 11.7 69.3 14.0 453 459 A I H 3< S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.690 109.7 60.5 -66.2 -16.9 12.3 68.2 17.6 454 460 A A H 3< S+ 0 0 45 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.842 109.5 41.5 -77.5 -32.3 15.2 70.7 17.8 455 461 A D H << 0 0 122 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.1 0.807 360.0 360.0 -83.7 -34.3 12.7 73.6 17.1 456 462 A R < 0 0 123 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.950 360.0 360.0 -84.0 360.0 9.9 72.5 19.3