==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-11 3U0J . COMPND 2 MOLECULE: TYPE III EFFECTOR HOPU1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR Y.LIN,H.YANG,P.WANG,Y.XU . 468 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 17.3 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.1 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+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 1 0 1 1 3 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 6 3 1 0 0 1 3 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 . 3 1 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 29 B E 0 0 186 0, 0.0 2,-0.4 0, 0.0 99,-0.2 0.000 360.0 360.0 360.0 89.9 26.9 -1.9 -12.5 2 30 B R - 0 0 83 99,-0.1 2,-0.4 98,-0.0 117,-0.0 -0.994 360.0-120.1-115.1 133.6 25.0 1.1 -11.3 3 31 B H + 0 0 23 -2,-0.4 2,-0.4 115,-0.0 119,-0.2 -0.598 31.6 178.3 -83.2 129.0 21.3 0.8 -11.8 4 32 B Y - 0 0 76 -2,-0.4 112,-0.1 118,-0.1 115,-0.0 -0.995 32.8-109.0-123.1 137.6 19.3 3.2 -14.0 5 33 B S - 0 0 10 -2,-0.4 2,-0.2 111,-0.2 111,-0.0 -0.176 27.5-153.5 -64.0 151.4 15.6 2.8 -14.6 6 34 B T > - 0 0 71 1,-0.0 4,-2.2 0, 0.0 5,-0.2 -0.654 35.5 -96.9-111.4 174.4 14.1 1.8 -18.0 7 35 B G H > S+ 0 0 34 -2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.887 125.5 50.9 -59.2 -40.8 10.7 2.6 -19.4 8 36 B Q H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.923 108.3 52.7 -65.1 -42.0 9.4 -0.8 -18.3 9 37 B D H > S+ 0 0 17 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.929 106.5 52.7 -55.5 -49.3 10.7 -0.2 -14.8 10 38 B R H X S+ 0 0 37 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.792 110.5 47.7 -62.7 -29.1 8.9 3.1 -14.6 11 39 B H H X S+ 0 0 134 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.910 109.8 52.7 -73.3 -44.1 5.6 1.4 -15.6 12 40 B D H X S+ 0 0 59 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.967 109.8 50.1 -50.8 -55.0 6.2 -1.3 -13.0 13 41 B F H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.884 106.8 52.7 -54.4 -48.2 6.6 1.4 -10.4 14 42 B Y H X S+ 0 0 53 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.927 113.3 44.2 -54.0 -47.1 3.5 3.3 -11.3 15 43 B R H X S+ 0 0 159 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.851 114.3 50.9 -67.5 -35.1 1.4 0.1 -11.0 16 44 B F H >< S+ 0 0 12 -4,-2.6 3,-1.0 -5,-0.2 4,-0.4 0.952 113.8 43.3 -62.9 -50.8 3.2 -0.8 -7.8 17 45 B A H >< S+ 0 0 4 -4,-3.4 3,-0.8 1,-0.3 14,-0.3 0.719 103.5 65.8 -70.2 -22.8 2.6 2.6 -6.3 18 46 B A H 3< S+ 0 0 47 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.762 100.3 52.5 -74.2 -22.5 -1.0 2.7 -7.4 19 47 B R T << S+ 0 0 170 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.565 85.0 108.7 -88.2 -12.0 -1.7 -0.2 -5.1 20 48 B L S < S- 0 0 17 -3,-0.8 2,-0.4 -4,-0.4 51,-0.2 -0.299 70.3-122.0 -63.3 149.0 -0.3 1.4 -2.0 21 49 B H E -A 70 0A 66 49,-2.7 49,-1.4 51,-0.1 2,-0.4 -0.770 20.6-146.1 -90.7 137.6 -2.7 2.5 0.7 22 50 B V E -A 69 0A 48 -2,-0.4 2,-0.5 47,-0.2 47,-0.2 -0.877 26.8-105.2-104.4 139.3 -2.6 6.2 1.7 23 51 B D > - 0 0 33 45,-2.1 3,-1.2 -2,-0.4 5,-0.3 -0.453 27.4-162.0 -64.9 112.9 -3.3 7.2 5.3 24 52 B A T 3 S+ 0 0 84 -2,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.747 82.7 72.2 -69.9 -23.7 -6.7 8.7 5.2 25 53 B Q T 3 S+ 0 0 137 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.361 103.0 47.4 -75.4 8.7 -6.2 10.5 8.5 26 54 B C S < S- 0 0 46 -3,-1.2 2,-1.5 42,-0.1 -4,-0.0 -0.810 105.5 -86.3-134.3 176.6 -3.9 12.9 6.7 27 55 B F - 0 0 191 -2,-0.3 2,-0.1 2,-0.0 -3,-0.1 -0.652 62.7-165.3 -84.7 84.2 -3.9 14.9 3.5 28 56 B G - 0 0 26 -2,-1.5 2,-0.5 -5,-0.3 -6,-0.1 -0.411 17.2-145.9 -84.2 147.3 -2.6 12.0 1.4 29 57 B L - 0 0 33 -2,-0.1 39,-0.0 4,-0.0 -1,-0.0 -0.949 13.4-149.0-111.6 122.3 -1.1 12.1 -2.1 30 58 B S > - 0 0 44 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.230 35.8 -98.1 -79.6 172.9 -1.7 9.3 -4.5 31 59 B I H > S+ 0 0 7 -14,-0.3 4,-3.6 2,-0.2 5,-0.2 0.896 128.2 52.2 -60.3 -35.3 0.7 8.2 -7.2 32 60 B D H > S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.968 108.7 49.1 -65.6 -50.1 -1.4 10.2 -9.6 33 61 B D H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 116.8 43.7 -51.1 -39.7 -1.2 13.3 -7.4 34 62 B L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.940 107.9 55.8 -73.4 -44.8 2.6 12.7 -7.2 35 63 B M H < S+ 0 0 31 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 112.8 47.9 -56.4 -23.9 3.0 12.0 -10.9 36 64 B D H >X S+ 0 0 107 -4,-1.6 4,-1.6 -5,-0.2 3,-1.2 0.940 110.8 44.0 -86.3 -50.1 1.4 15.3 -11.3 37 65 B K H 3< S+ 0 0 98 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.873 118.3 47.8 -64.7 -30.6 3.4 17.5 -8.8 38 66 B F T 3< S+ 0 0 0 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.421 112.6 46.0 -93.7 3.4 6.6 15.8 -10.1 39 67 B S T <4 S+ 0 0 64 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.523 82.2 126.4-111.8 -18.1 5.9 16.2 -13.8 40 68 B D >X - 0 0 70 -4,-1.6 3,-2.1 1,-0.2 4,-0.7 -0.156 67.5-131.1 -43.0 124.0 4.8 19.8 -13.3 41 69 B K H 3> S+ 0 0 153 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.769 104.9 58.7 -55.9 -30.4 6.9 21.9 -15.7 42 70 B H H 3> S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.673 91.2 72.5 -71.0 -20.4 7.8 24.4 -12.8 43 71 B F H <> S+ 0 0 15 -3,-2.1 4,-1.7 1,-0.2 3,-0.4 0.952 100.9 38.9 -66.0 -50.1 9.4 21.6 -10.7 44 72 B R H < S+ 0 0 50 -4,-0.7 -1,-0.2 1,-0.2 7,-0.2 0.666 112.8 59.7 -74.3 -15.2 12.5 21.1 -12.8 45 73 B A H < S+ 0 0 16 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.801 113.1 36.7 -78.3 -29.0 12.6 24.9 -13.3 46 74 B E H < S+ 0 0 63 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.696 130.6 33.1 -91.7 -23.3 12.9 25.4 -9.5 47 75 B H >< + 0 0 41 -4,-1.7 3,-2.6 -5,-0.2 -1,-0.2 -0.575 66.1 175.9-134.4 70.3 15.1 22.4 -9.0 48 76 B P G > S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.637 71.7 77.4 -57.0 -16.7 17.3 21.9 -12.1 49 77 B E G 3 S+ 0 0 29 1,-0.3 3,-0.4 2,-0.1 78,-0.1 0.778 92.5 57.1 -56.7 -25.5 19.1 18.9 -10.5 50 78 B Y G X S+ 0 0 0 -3,-2.6 3,-2.5 1,-0.2 -1,-0.3 0.360 71.9 113.1 -87.8 8.6 16.0 17.0 -11.5 51 79 B R T < S+ 0 0 91 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.866 91.1 25.2 -48.3 -49.7 16.3 18.0 -15.1 52 80 B D T 3 S+ 0 0 117 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 -0.183 101.1 105.6-110.2 37.5 17.0 14.4 -16.1 53 81 B V < - 0 0 4 -3,-2.5 67,-0.0 70,-0.0 -3,-0.0 -0.976 67.7-126.1-115.9 131.5 15.2 12.7 -13.3 54 82 B Y > - 0 0 93 -2,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.298 14.7-120.8 -76.7 156.3 11.8 11.1 -13.9 55 83 B P H > S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.855 115.5 59.8 -60.6 -35.7 8.6 11.7 -12.0 56 84 B E H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.870 107.0 47.6 -60.6 -32.9 8.5 8.1 -11.1 57 85 B E H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.929 109.9 49.5 -76.6 -44.8 11.8 8.6 -9.4 58 86 B C H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.953 112.3 50.9 -53.7 -47.4 10.8 11.7 -7.5 59 87 B S H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.855 106.6 53.2 -59.7 -40.1 7.7 9.8 -6.4 60 88 B A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.935 112.1 45.3 -64.3 -43.6 9.8 6.9 -5.1 61 89 B I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 140,-0.2 0.975 115.2 47.7 -62.4 -51.2 11.9 9.3 -3.1 62 90 B Y H >X S+ 0 0 24 -4,-3.1 3,-0.8 1,-0.2 4,-0.6 0.947 112.7 47.5 -50.7 -55.3 8.9 11.1 -1.8 63 91 B M H >< S+ 0 0 2 -4,-3.3 3,-0.5 1,-0.3 20,-0.3 0.822 111.0 52.5 -62.6 -31.6 7.0 7.9 -0.9 64 92 B H H 3< S+ 0 0 8 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.786 109.7 47.8 -73.6 -27.2 10.1 6.5 0.9 65 93 B T H << S+ 0 0 19 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.451 101.4 88.6 -91.1 -1.5 10.5 9.6 3.1 66 94 B A << - 0 0 2 -4,-0.6 17,-0.4 -3,-0.5 3,-0.1 -0.462 64.0-150.7 -98.9 169.4 6.8 9.6 4.0 67 95 B Q S S+ 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 0.273 81.4 79.4-117.5 6.7 4.9 8.0 6.8 68 96 B D S S+ 0 0 19 -5,-0.1 -45,-2.1 13,-0.1 2,-0.4 0.411 73.8 76.3-102.8 -4.9 1.6 7.7 4.9 69 97 B Y E +A 22 0A 1 -6,-0.3 13,-2.5 -47,-0.2 2,-0.3 -0.898 45.4 167.3-114.6 143.3 1.9 4.7 2.6 70 98 B S E -A 21 0A 0 -49,-1.4 -49,-2.7 -2,-0.4 -3,-0.0 -0.989 39.5-134.3-144.7 147.9 1.8 1.0 3.4 71 99 B S S S+ 0 0 34 9,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.782 93.3 47.7 -62.2 -27.8 1.5 -2.1 1.2 72 100 B H S S- 0 0 116 8,-0.4 7,-3.1 -51,-0.1 2,-0.4 -0.708 70.3-136.9-122.5 166.9 -1.1 -3.3 3.7 73 101 B L E -B 78 0B 91 5,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.919 9.7-161.3-117.2 139.7 -4.2 -2.2 5.6 74 102 B V E > -B 77 0B 87 3,-4.0 3,-0.6 -2,-0.4 2,-0.2 -0.884 62.2 -65.9-122.3 99.5 -4.8 -3.1 9.3 75 103 B R T 3 S- 0 0 243 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 -0.380 122.6 -6.1 56.2-122.1 -8.5 -2.7 10.0 76 104 B G T 3 S+ 0 0 55 -2,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.996 127.6 54.7 -55.0 -66.5 -9.0 1.0 9.6 77 105 B E E < S-B 74 0B 101 -3,-0.6 -3,-4.0 1,-0.2 -54,-0.1 0.049 88.1 -84.1 -89.2 168.0 -5.6 2.2 9.0 78 106 B I E -B 73 0B 30 -5,-0.2 -5,-0.3 1,-0.1 -1,-0.2 -0.308 46.0-128.5 -58.9 147.3 -2.5 1.7 6.8 79 107 B G - 0 0 15 -7,-3.1 -1,-0.1 1,-0.2 -5,-0.1 0.467 61.7 -23.0 -71.6-144.8 -0.1 -1.0 7.9 80 108 B T S S- 0 0 80 1,-0.1 -9,-0.5 -7,-0.1 -8,-0.4 -0.545 84.6 -98.3 -68.7 133.0 3.6 -0.7 8.4 81 109 B P >> - 0 0 25 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.197 29.2-116.2 -57.3 144.3 5.0 2.3 6.5 82 110 B L H 3> S+ 0 0 1 -13,-2.5 4,-2.7 1,-0.3 5,-0.3 0.862 110.9 53.9 -48.8 -48.8 6.6 1.5 3.1 83 111 B Y H 3> S+ 0 0 38 -17,-0.4 4,-2.7 -20,-0.3 -1,-0.3 0.865 110.7 48.0 -62.8 -34.2 10.2 2.7 4.0 84 112 B R H <> S+ 0 0 113 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.917 110.8 48.2 -73.1 -41.8 10.2 0.4 7.0 85 113 B E H X S+ 0 0 50 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 118.0 43.5 -62.0 -41.3 8.9 -2.7 5.2 86 114 B V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.953 115.0 46.2 -70.1 -51.9 11.5 -2.1 2.4 87 115 B N H X S+ 0 0 31 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.942 115.1 47.9 -55.6 -50.0 14.4 -1.3 4.7 88 116 B N H X S+ 0 0 75 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.905 110.5 52.3 -58.4 -44.5 13.7 -4.2 6.8 89 117 B Y H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.3 3,-0.3 0.952 110.0 48.1 -55.0 -53.2 13.3 -6.5 3.8 90 118 B L H < S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.2 49.3 -57.6 -38.6 16.7 -5.4 2.5 91 119 B R H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.817 118.6 38.4 -72.2 -30.1 18.4 -5.9 5.9 92 120 B L H < S+ 0 0 136 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.747 86.6 117.0 -89.2 -27.2 16.9 -9.4 6.3 93 121 B Q < + 0 0 28 -4,-2.5 3,-0.0 -5,-0.2 13,-0.0 -0.154 35.8 179.0 -51.8 126.4 17.2 -10.6 2.7 94 122 B H + 0 0 171 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.447 61.8 73.8-126.6 60.4 19.6 -13.6 2.2 95 123 B E S S+ 0 0 158 1,-0.1 2,-0.2 10,-0.0 -1,-0.1 0.438 92.5 44.1-138.6 -18.7 19.4 -14.4 -1.6 96 124 B N S S- 0 0 24 1,-0.0 -1,-0.1 -3,-0.0 7,-0.0 -0.707 83.9-111.1-117.7 172.0 21.5 -11.6 -3.1 97 125 B S - 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0 0 36 45,-2.0 3,-0.9 -2,-0.4 5,-0.2 -0.344 29.2-158.8 -59.0 116.1 51.1 40.5 -19.1 261 52 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -2,-0.2 4,-0.1 0.820 82.8 69.2 -65.3 -34.8 54.9 40.3 -18.9 262 53 A Q T 3 S+ 0 0 128 2,-0.1 2,-0.2 -3,-0.0 -1,-0.2 0.216 106.4 33.8 -75.8 16.4 55.0 38.2 -15.7 263 54 A C S < S- 0 0 56 -3,-0.9 2,-1.1 42,-0.1 -4,-0.0 -0.858 102.7 -71.9-152.7-177.1 53.6 35.2 -17.5 264 55 A F - 0 0 191 -2,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.714 59.5-175.4 -92.7 95.9 53.5 33.3 -20.8 265 56 A G - 0 0 27 -2,-1.1 2,-0.4 -5,-0.2 -6,-0.1 -0.724 19.6-145.0-105.0 133.9 51.4 35.5 -22.9 266 57 A L - 0 0 35 -2,-0.4 2,-0.1 4,-0.1 39,-0.0 -0.740 14.4-145.8 -92.2 136.2 50.2 35.0 -26.5 267 58 A S > - 0 0 41 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.375 37.2 -94.8 -88.6 176.4 49.9 38.0 -28.8 268 59 A I H > S+ 0 0 4 -14,-0.3 4,-1.9 2,-0.2 5,-0.1 0.853 127.7 55.7 -60.9 -28.9 47.2 38.3 -31.5 269 60 A D H >> S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.988 106.9 46.9 -67.1 -56.8 49.7 36.8 -33.9 270 61 A D H 3> S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.848 113.8 49.6 -48.6 -39.0 50.3 33.7 -31.7 271 62 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.824 106.4 54.8 -76.2 -29.0 46.6 33.3 -31.3 272 63 A M H X S+ 0 0 118 -4,-2.1 3,-0.9 2,-0.2 4,-0.8 0.951 112.4 51.8 -68.4 -53.3 48.4 30.8 -35.5 274 65 A K H 3< S+ 0 0 83 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.863 117.1 37.2 -47.5 -45.9 46.8 28.8 -32.8 275 66 A F H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.456 111.9 56.0-100.5 -1.7 43.4 29.1 -34.1 276 67 A S H << S+ 0 0 69 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.364 80.4 126.6-105.0 -3.3 44.1 28.8 -37.9 277 68 A D X - 0 0 58 -4,-0.8 4,-1.0 -3,-0.3 3,-0.5 -0.377 66.5-131.1 -56.6 125.9 45.9 25.5 -37.2 278 69 A K H > S+ 0 0 199 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.864 105.9 51.0 -42.4 -50.9 44.7 22.6 -39.4 279 70 A H H >> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.892 98.0 68.0 -61.0 -41.4 44.3 20.3 -36.3 280 71 A F H 3> S+ 0 0 22 -3,-0.5 4,-1.7 1,-0.3 -1,-0.2 0.896 102.5 41.2 -51.5 -53.6 42.2 22.7 -34.3 281 72 A R H 3< S+ 0 0 55 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.669 110.6 63.0 -71.0 -12.5 39.1 22.7 -36.5 282 73 A A H << S+ 0 0 75 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.939 108.5 38.1 -72.9 -48.1 39.6 19.0 -36.7 283 74 A E H < S+ 0 0 152 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.772 125.6 42.4 -68.7 -26.4 39.1 18.5 -33.0 284 75 A H >< + 0 0 40 -4,-1.7 3,-2.8 -5,-0.3 -1,-0.2 -0.593 59.5 173.5-128.6 73.3 36.4 21.1 -32.9 285 76 A P G > S+ 0 0 90 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.707 74.3 78.2 -52.3 -21.6 34.1 20.7 -35.8 286 77 A E G > S+ 0 0 46 1,-0.3 3,-0.5 2,-0.1 75,-0.1 0.847 89.9 55.8 -53.7 -33.6 31.9 23.5 -34.2 287 78 A Y G X + 0 0 0 -3,-2.8 3,-1.9 1,-0.2 -1,-0.3 0.224 68.8 113.0 -90.7 13.9 34.4 26.0 -35.5 288 79 A R G < S+ 0 0 200 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.923 92.0 29.5 -50.7 -48.7 34.2 25.0 -39.2 289 80 A D G < S+ 0 0 109 -3,-0.5 2,-0.5 -4,-0.2 -1,-0.3 0.061 102.0 102.9-100.6 22.6 32.6 28.3 -40.0 290 81 A V < - 0 0 4 -3,-1.9 64,-0.0 67,-0.1 -3,-0.0 -0.931 65.8-132.5-111.7 129.2 34.3 30.3 -37.2 291 82 A Y > - 0 0 95 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.331 20.0-118.1 -74.7 153.7 37.3 32.6 -38.0 292 83 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.876 117.0 60.6 -51.6 -39.6 40.6 32.6 -36.0 293 84 A E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 105.8 47.9 -60.0 -40.3 39.7 36.3 -35.2 294 85 A E H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.964 110.7 47.8 -62.7 -54.9 36.6 35.0 -33.5 295 86 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.893 111.8 55.4 -52.7 -35.4 38.3 32.3 -31.5 296 87 A S H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.921 104.1 50.1 -68.2 -43.7 40.8 35.0 -30.6 297 88 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.906 112.2 48.6 -60.2 -42.9 38.2 37.3 -29.2 298 89 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 137,-0.2 0.981 113.7 46.7 -58.0 -53.7 36.7 34.5 -27.0 299 90 A Y H < S+ 0 0 20 -4,-2.6 4,-0.5 1,-0.3 3,-0.4 0.957 113.0 48.4 -55.0 -56.3 40.2 33.6 -25.8 300 91 A M H >< S+ 0 0 2 -4,-3.2 3,-0.8 1,-0.3 20,-0.3 0.832 111.3 51.4 -54.2 -37.0 41.1 37.2 -25.1 301 92 A H H 3< S+ 0 0 7 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.891 108.3 50.7 -68.7 -37.7 37.9 37.7 -23.2 302 93 A T T 3< S+ 0 0 21 -4,-2.3 -1,-0.2 -3,-0.4 2,-0.2 0.451 101.0 89.6 -78.8 2.3 38.4 34.6 -21.0 303 94 A A < - 0 0 1 -3,-0.8 17,-0.5 -4,-0.5 3,-0.2 -0.611 60.4-154.9-109.3 163.1 41.9 35.7 -20.1 304 95 A Q S S+ 0 0 107 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 0.352 82.1 77.5-107.8 2.5 43.5 37.8 -17.3 305 96 A D S S+ 0 0 20 -5,-0.1 -45,-2.0 13,-0.1 2,-0.4 0.480 75.8 83.3 -97.4 -7.6 46.6 38.8 -19.3 306 97 A Y E +J 259 0D 1 -6,-0.2 13,-2.6 -47,-0.2 2,-0.3 -0.830 45.2 164.2-111.1 137.5 45.3 41.5 -21.6 307 98 A S E -JK 258 318D 0 -49,-1.7 -49,-2.9 -2,-0.4 10,-0.0 -1.000 40.4-138.6-148.0 149.3 44.8 45.2 -21.0 308 99 A S S S+ 0 0 35 9,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.710 91.3 44.8 -72.4 -20.2 44.2 48.3 -23.0 309 100 A H - 0 0 122 8,-0.4 7,-2.5 -51,-0.1 2,-0.4 -0.794 69.2-133.8-127.9 167.8 46.6 50.1 -20.6 310 101 A L E -L 315 0E 91 -2,-0.3 2,-0.6 5,-0.3 5,-0.2 -0.960 9.4-163.2-115.9 132.7 49.8 49.9 -18.7 311 102 A V E > -L 314 0E 91 3,-3.0 3,-0.9 -2,-0.4 -2,-0.0 -0.934 65.5 -64.3-114.3 103.4 50.1 50.9 -15.1 312 103 A R T 3 S- 0 0 239 -2,-0.6 4,-0.1 1,-0.3 -1,-0.0 -0.318 123.6 -4.5 51.0-123.4 53.8 51.4 -14.5 313 104 A G T 3 S+ 0 0 52 -3,-0.1 -1,-0.3 2,-0.1 -52,-0.1 0.980 127.5 46.4 -53.8 -60.6 55.2 48.0 -15.1 314 105 A E E < S-L 311 0E 87 -3,-0.9 -3,-3.0 1,-0.2 2,-0.1 0.185 88.7 -70.5 -98.8-175.3 52.2 46.0 -15.7 315 106 A I E -L 310 0E 33 -5,-0.2 -5,-0.3 1,-0.1 -1,-0.2 -0.399 44.1-136.2 -69.7 148.8 48.9 45.6 -17.4 316 107 A G - 0 0 15 -7,-2.5 -1,-0.1 1,-0.3 3,-0.1 0.229 63.0 -22.1 -78.1-151.5 46.0 47.7 -16.3 317 108 A T S S- 0 0 81 1,-0.1 -9,-0.5 2,-0.1 -8,-0.4 -0.359 85.2-101.3 -58.6 137.2 42.5 46.5 -15.8 318 109 A P B >> -K 307 0D 25 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.322 28.1-114.4 -67.0 149.8 42.0 43.3 -17.8 319 110 A L H 3> S+ 0 0 1 -13,-2.6 4,-2.8 1,-0.3 5,-0.3 0.859 112.2 54.8 -51.1 -48.9 40.1 43.5 -21.1 320 111 A Y H 3> S+ 0 0 37 -17,-0.5 4,-3.6 -20,-0.3 -1,-0.3 0.912 110.8 47.9 -59.1 -37.8 37.1 41.5 -20.1 321 112 A R H <> S+ 0 0 116 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.877 111.2 47.3 -70.4 -41.6 36.5 43.8 -17.2 322 113 A E H X S+ 0 0 67 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.936 118.5 44.0 -62.7 -44.1 36.9 47.0 -19.1 323 114 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.959 114.2 47.5 -65.8 -55.0 34.6 45.6 -21.7 324 115 A N H X S+ 0 0 30 -4,-3.6 4,-1.9 -5,-0.3 -1,-0.2 0.891 114.6 46.7 -54.6 -42.1 32.0 44.2 -19.3 325 116 A N H X S+ 0 0 82 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.929 109.4 53.7 -69.1 -40.8 31.9 47.3 -17.3 326 117 A Y H X S+ 0 0 43 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.913 109.5 49.6 -59.9 -40.9 31.6 49.5 -20.3 327 118 A L H < S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.5 46.0 -68.7 -35.6 28.6 47.4 -21.5 328 119 A R H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 115.7 45.7 -73.2 -38.6 26.8 47.6 -18.1 329 120 A L H < S+ 0 0 132 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.708 84.5 112.4 -79.0 -18.4 27.4 51.4 -17.7 330 121 A Q < + 0 0 29 -4,-1.5 -4,-0.0 -5,-0.3 -3,-0.0 -0.371 34.2 171.3 -64.1 124.5 26.4 52.3 -21.3 331 122 A H + 0 0 171 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.155 64.8 71.2-126.0 32.8 23.1 54.3 -21.3 332 123 A E S S+ 0 0 155 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.612 92.8 55.4-117.2 -32.9 23.1 55.3 -25.0 333 124 A N S S- 0 0 75 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.657 81.1-123.8 -99.7 160.5 22.3 51.9 -26.5 334 125 A S - 0 0 73 -2,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.449 50.9-120.5 -76.4 -2.1 19.4 49.5 -25.9 335 126 A G S S+ 0 0 10 1,-0.2 2,-0.1 3,-0.1 -1,-0.1 0.011 76.1 114.4 87.7 -26.7 22.2 47.0 -25.2 336 127 A R S S- 0 0 117 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 -0.384 79.1-112.9 -87.3 154.9 21.0 44.6 -27.9 337 128 A E 0 0 52 109,-0.2 -1,-0.1 -2,-0.1 -98,-0.1 0.681 360.0 360.0 -56.0 -21.8 22.8 43.6 -31.2 338 129 A A 0 0 88 -100,-0.1 -4,-0.2 -4,-0.0 -2,-0.1 -0.149 360.0 360.0 -46.5 360.0 20.1 45.4 -33.3 339 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 340 134 A H 0 0 66 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-179.9 29.4 51.3 -29.1 341 135 A D >> - 0 0 77 1,-0.1 4,-3.2 4,-0.0 3,-1.2 -0.460 360.0-136.1 -72.9 124.5 32.8 53.0 -28.2 342 136 A E T 34 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.737 104.3 58.0 -56.6 -20.4 35.2 53.1 -31.1 343 137 A K T 34 S+ 0 0 150 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.917 123.1 19.5 -72.5 -42.4 37.9 52.0 -28.8 344 138 A L T X> S+ 0 0 8 -3,-1.2 4,-2.2 1,-0.1 3,-0.6 0.588 96.0 94.1-107.1 -13.3 36.2 48.7 -27.8 345 139 A S H 3X S+ 0 0 14 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.843 82.0 59.1 -55.0 -35.0 33.6 48.1 -30.5 346 140 A P H 3> S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.954 109.9 42.3 -63.2 -42.2 35.9 45.9 -32.5 347 141 A H H <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.2 5,-0.3 0.971 114.5 50.3 -63.0 -52.1 36.3 43.5 -29.6 348 142 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.872 113.7 46.1 -54.5 -38.9 32.6 43.5 -28.7 349 143 A K H X S+ 0 0 65 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.920 111.4 49.3 -74.0 -41.6 31.6 42.8 -32.3 350 144 A M H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.953 113.7 48.3 -61.0 -46.9 34.1 40.0 -32.9 351 145 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.902 111.3 48.5 -59.4 -46.9 32.9 38.4 -29.7 352 146 A S H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.925 112.2 49.8 -61.0 -44.6 29.2 38.7 -30.5 353 147 A S H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.943 108.5 54.3 -57.1 -46.9 29.9 37.3 -33.9 354 148 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.881 109.0 45.2 -57.0 -46.4 31.8 34.4 -32.4 355 149 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.877 112.5 53.8 -70.8 -34.6 29.0 33.3 -30.0 356 150 A N H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.968 107.5 47.9 -61.0 -52.8 26.5 33.6 -32.8 357 151 A R H X S+ 0 0 45 -4,-2.8 4,-1.2 1,-0.2 5,-0.2 0.913 116.1 47.1 -56.5 -38.1 28.4 31.4 -35.2 358 152 A L H >X S+ 0 0 3 -4,-2.0 4,-3.3 -5,-0.2 3,-0.5 0.933 110.5 48.5 -70.5 -45.5 28.8 28.9 -32.4 359 153 A M H 3X S+ 0 0 7 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.844 106.2 62.0 -66.3 -29.0 25.2 28.9 -31.2 360 154 A D H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.6 24.3 -56.8 -41.7 24.2 28.5 -34.9 361 155 A V H << S+ 0 0 91 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.869 143.1 10.8 -98.2 -40.0 25.9 25.2 -35.2 362 156 A A H < S- 0 0 48 -4,-3.3 67,-0.5 -5,-0.2 -2,-0.2 -0.366 70.1-178.7-140.4 58.2 26.0 23.9 -31.6 363 157 A A < - 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