==== 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 HYDROLASE 17-DEC-06 2OAQ . COMPND 2 MOLECULE: TYPE II SECRETION SYSTEM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR A.YAMAGATA,J.A.TAINER . 1001 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 705 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 87 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 2 2 3 1 4 6 2 0 2 4 3 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 6 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 . 3 1 2 7 4 3 2 0 2 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 1 0 1 0 0 3 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 5 1 H > 0 0 43 0, 0.0 4,-1.3 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 -46.3 49.1 56.7 200.6 2 6 1 Y T 4 + 0 0 6 2,-0.2 112,-0.0 1,-0.2 109,-0.0 0.675 360.0 53.4 -85.2 -18.3 51.6 54.0 199.6 3 7 1 D T 4 S+ 0 0 107 1,-0.1 -1,-0.2 4,-0.1 0, 0.0 0.907 108.9 49.3 -79.8 -41.5 54.7 56.1 199.7 4 8 1 I T 4 S+ 0 0 35 3,-0.1 4,-0.3 4,-0.0 -2,-0.2 0.920 121.3 41.0 -59.3 -44.2 54.0 57.2 203.2 5 9 1 L S < S+ 0 0 0 -4,-1.3 -3,-0.0 2,-0.1 106,-0.0 -0.126 94.6 67.8 -83.0-167.0 53.4 53.5 203.9 6 10 1 R S S+ 0 0 76 1,-0.2 -1,-0.1 101,-0.1 6,-0.0 0.979 103.5 48.4 50.7 68.8 56.0 51.2 202.2 7 11 1 R S S+ 0 0 167 100,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.225 98.6 64.3 161.7 -40.9 58.9 52.4 204.3 8 12 1 H S S+ 0 0 56 -4,-0.3 -3,-0.1 99,-0.0 2,-0.1 0.620 93.7 87.7 -75.3 -12.6 57.2 52.1 207.7 9 13 1 I - 0 0 38 1,-0.1 95,-0.1 98,-0.1 3,-0.1 -0.294 67.2-155.2 -79.6 169.3 57.2 48.4 206.8 10 14 1 R S S+ 0 0 61 94,-0.1 94,-0.2 93,-0.1 -1,-0.1 0.775 70.1 52.5-110.3 -59.5 60.1 46.1 207.6 11 15 1 S - 0 0 19 92,-0.7 3,-0.1 1,-0.1 93,-0.1 -0.309 50.6-169.3 -78.6 163.4 60.0 43.2 205.1 12 16 1 E S S+ 0 0 77 1,-0.1 2,-1.1 -3,-0.1 -1,-0.1 0.436 75.9 77.4-126.8 -16.0 59.9 43.6 201.3 13 17 1 D + 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.496 68.7 149.8 -96.8 63.2 59.2 40.0 200.4 14 18 1 L + 0 0 12 -2,-1.1 91,-0.0 21,-0.3 90,-0.0 -0.621 39.9 32.1 -94.4 154.7 55.5 40.3 201.3 15 19 1 L S S- 0 0 29 43,-0.3 44,-0.0 -2,-0.2 40,-0.0 0.775 75.5-124.6 66.4 120.7 52.6 38.3 199.6 16 20 1 E - 0 0 72 40,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.367 37.0 -77.0 -71.2-152.7 53.2 34.8 198.3 17 21 1 T - 0 0 83 1,-0.0 -1,-0.1 38,-0.0 2,-0.1 -0.851 45.4-101.1-116.0 151.9 52.6 33.5 194.8 18 22 1 P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.408 26.3-160.5 -72.1 146.0 49.3 32.5 193.1 19 23 1 E + 0 0 96 -2,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.889 12.5 177.4-131.7 101.5 48.2 28.9 192.8 20 24 1 F - 0 0 55 -2,-0.4 4,-0.2 4,-0.1 3,-0.1 -0.915 25.4-128.7-111.0 120.5 45.6 28.2 190.2 21 25 1 G > - 0 0 57 -2,-0.6 3,-1.0 1,-0.1 -1,-0.0 0.023 48.9 -63.0 -55.4 170.1 44.4 24.6 189.5 22 26 1 S T 3 S+ 0 0 133 1,-0.2 -1,-0.1 22,-0.0 3,-0.0 0.026 123.4 38.7 -52.1 163.8 44.4 23.2 186.0 23 27 1 G T 3 S+ 0 0 32 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.494 97.8 96.8 70.2 -0.1 42.1 24.8 183.4 24 28 1 S < - 0 0 29 -3,-1.0 20,-0.2 -4,-0.2 -4,-0.1 -0.617 58.7-179.4-122.1 70.3 43.1 28.0 185.1 25 29 1 R - 0 0 160 -2,-0.3 18,-4.3 17,-0.1 2,-0.8 -0.328 29.1-121.0 -69.3 148.5 46.0 29.3 182.9 26 30 1 I E +A 42 0A 75 16,-0.3 16,-0.3 1,-0.2 3,-0.1 -0.836 28.7 179.0 -98.7 108.9 47.8 32.6 183.8 27 31 1 V E - 0 0 53 14,-2.2 2,-0.3 -2,-0.8 15,-0.2 0.933 64.0 -14.6 -71.0 -52.7 47.4 35.0 180.9 28 32 1 E E -A 41 0A 63 13,-1.7 13,-2.4 2,-0.0 2,-0.3 -0.953 53.9-160.5-149.7 166.7 49.3 38.0 182.3 29 33 1 E E +A 40 0A 84 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.981 18.0 159.6-153.8 138.5 50.6 39.3 185.6 30 34 1 Y E -A 39 0A 34 9,-2.0 9,-2.3 -2,-0.3 2,-0.2 -0.989 36.1 -97.2-157.8 161.7 51.7 42.8 186.7 31 35 1 W E +A 38 0A 101 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.519 27.9 170.6 -85.4 151.6 52.2 45.0 189.7 32 36 1 I E S+ 0 0 22 5,-1.6 2,-0.3 -2,-0.2 6,-0.2 0.634 84.0 0.8-117.3 -69.1 49.8 47.5 191.2 33 37 1 Q E >> S-A 37 0A 35 4,-1.3 3,-3.1 96,-0.0 4,-1.0 -0.680 99.0-118.1-127.0 75.3 51.3 48.7 194.5 34 38 1 E T 34 S+ 0 0 106 1,-0.3 4,-0.1 -2,-0.3 -3,-0.0 -0.304 87.6 10.6 -57.9 135.9 54.6 46.9 194.8 35 39 1 P T 34 S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 -21,-0.3 -0.733 130.0 45.2-107.6 42.9 55.3 45.0 196.9 36 40 1 F T <4 S+ 0 0 11 -3,-3.1 2,-0.3 1,-0.3 -2,-0.2 0.868 108.9 29.5-100.1 -68.1 51.9 44.6 198.4 37 41 1 T E < +A 33 0A 0 -4,-1.0 -5,-1.6 19,-0.2 -4,-1.3 -0.749 58.8 172.6-101.7 143.4 49.2 44.1 195.8 38 42 1 K E -AB 31 55A 48 17,-1.9 17,-2.4 -2,-0.3 2,-0.4 -0.984 22.2-134.3-146.0 147.5 49.6 42.5 192.3 39 43 1 A E -AB 30 54A 0 -9,-2.3 -9,-2.0 -2,-0.3 2,-0.5 -0.911 13.3-163.8-113.4 134.3 47.0 41.6 189.7 40 44 1 I E -AB 29 53A 0 13,-2.3 13,-2.5 -2,-0.4 2,-0.9 -0.955 10.1-152.1-119.4 127.7 46.8 38.3 187.7 41 45 1 I E -AB 28 52A 2 -13,-2.4 -14,-2.2 -2,-0.5 -13,-1.7 -0.849 24.2-172.6 -99.1 104.3 44.8 37.8 184.6 42 46 1 V E -AB 26 51A 12 9,-2.4 9,-3.3 -2,-0.9 -16,-0.3 -0.680 11.0-145.0 -98.3 151.2 43.9 34.1 184.5 43 47 1 E - 0 0 49 -18,-4.3 7,-0.1 -2,-0.3 -1,-0.1 -0.197 1.7-152.9 -97.6-167.2 42.2 32.2 181.6 44 48 1 N - 0 0 10 -20,-0.2 3,-0.3 5,-0.1 5,-0.3 -0.270 4.4-158.2-172.7 70.3 39.8 29.4 181.8 45 49 1 E S S+ 0 0 55 1,-0.2 3,-0.2 -22,-0.2 -21,-0.1 0.707 90.1 56.1 -20.8 -57.1 39.9 27.1 178.7 46 50 1 D S S+ 0 0 115 1,-0.3 2,-1.1 -23,-0.2 -1,-0.2 0.953 115.6 33.7 -45.7 -75.1 36.4 25.8 179.3 47 51 1 E S S- 0 0 65 -3,-0.3 2,-2.1 2,-0.1 -1,-0.3 -0.753 94.7-132.2 -87.4 97.5 34.6 29.2 179.3 48 52 1 F + 0 0 97 -2,-1.1 2,-0.3 -3,-0.2 -3,-0.1 -0.244 68.9 111.5 -52.2 80.9 36.7 31.2 176.8 49 53 1 R - 0 0 41 -2,-2.1 2,-0.2 -5,-0.3 -5,-0.1 -0.984 62.2-128.7-153.8 154.0 37.0 34.1 179.2 50 54 1 N - 0 0 50 -2,-0.3 105,-0.6 103,-0.2 2,-0.4 -0.680 22.2-148.8-103.4 161.3 39.8 35.8 181.2 51 55 1 V E -Bc 42 155A 35 -9,-3.3 -9,-2.4 -2,-0.2 2,-0.6 -0.997 9.4-132.6-136.5 141.2 39.5 36.6 184.9 52 56 1 Y E -Bc 41 156A 1 103,-2.2 105,-1.0 -2,-0.4 2,-0.5 -0.796 21.3-168.8 -92.5 119.2 40.9 39.3 187.1 53 57 1 Y E -B 40 0A 90 -13,-2.5 -13,-2.3 -2,-0.6 2,-0.9 -0.943 11.9-147.5-113.0 122.5 42.4 38.1 190.3 54 58 1 A E -B 39 0A 4 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.779 16.3-159.4 -93.4 103.8 43.3 40.7 193.0 55 59 1 L E +B 38 0A 23 -17,-2.4 -17,-1.9 -2,-0.9 -2,-0.0 -0.688 17.8 165.1 -89.1 127.3 46.4 39.6 194.9 56 60 1 E - 0 0 38 -2,-0.4 -40,-0.2 -19,-0.2 -19,-0.2 -0.912 53.8 -66.1-134.0 159.9 47.2 41.0 198.4 57 61 1 P - 0 0 0 0, 0.0 -20,-0.1 0, 0.0 -21,-0.0 -0.266 59.2-127.5 -51.6 114.0 49.6 39.9 201.1 58 62 1 T - 0 0 86 -2,-0.1 -43,-0.3 1,-0.1 2,-0.2 -0.325 31.4-168.4 -63.7 143.4 48.2 36.5 202.3 59 63 1 V - 0 0 63 -44,-0.0 2,-0.2 50,-0.0 -1,-0.1 -0.796 21.6 -98.5-130.8 173.8 47.6 36.2 206.0 60 64 1 S > - 0 0 52 -2,-0.2 4,-1.1 1,-0.1 -1,-0.0 -0.566 25.0-125.8 -91.0 156.6 46.9 33.5 208.7 61 65 1 S H > S+ 0 0 115 2,-0.2 4,-0.9 1,-0.2 5,-0.2 0.691 117.8 51.6 -72.5 -18.2 43.4 32.9 210.0 62 66 1 E H > S+ 0 0 84 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.875 108.7 48.7 -80.4 -42.1 45.0 33.4 213.5 63 67 1 E H > S+ 0 0 12 3,-0.2 4,-4.0 2,-0.2 5,-0.3 0.725 101.8 75.2 -66.5 -22.7 46.4 36.7 212.2 64 68 1 A H >X S+ 0 0 37 -4,-1.1 4,-2.6 2,-0.2 3,-0.7 0.972 105.8 24.8 -52.6 -86.3 42.9 37.3 211.0 65 69 1 E H 3X S+ 0 0 71 -4,-0.9 4,-0.7 1,-0.3 -1,-0.2 0.784 121.8 64.5 -52.5 -25.2 41.0 38.2 214.2 66 70 1 V H 3X S+ 0 0 48 -4,-1.3 4,-2.1 2,-0.2 3,-0.5 0.957 110.3 32.6 -62.8 -52.5 44.5 39.2 215.4 67 71 1 I H < S+ 0 0 120 -4,-1.0 3,-1.1 2,-0.1 -2,-0.2 0.829 110.1 57.4-101.3 -48.3 41.0 49.4 219.1 74 78 1 L H >< S+ 0 0 25 -4,-1.5 3,-0.6 1,-0.3 -2,-0.2 0.729 98.2 69.2 -55.8 -21.2 42.8 51.7 216.7 75 79 1 K T 3< S+ 0 0 51 -4,-1.5 2,-2.0 1,-0.3 -1,-0.3 0.922 84.1 66.3 -64.2 -45.7 39.2 52.5 215.4 76 80 1 K T < S+ 0 0 89 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.3 -0.017 78.5 101.9 -70.3 37.8 38.3 54.3 218.7 77 81 1 I X> - 0 0 56 -2,-2.0 3,-2.6 -3,-0.6 4,-0.5 -0.671 51.3-174.1-125.5 76.5 40.9 56.9 217.7 78 82 1 L H 3> S+ 0 0 148 -2,-0.4 4,-1.6 1,-0.3 -1,-0.1 0.775 80.4 70.6 -36.7 -40.5 38.9 59.9 216.3 79 83 1 V H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 14,-0.1 0.424 97.2 54.1 -64.4 4.4 42.3 61.5 215.3 80 84 1 L H <4 S+ 0 0 5 -3,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 105.0 44.1-101.6 -55.8 42.7 58.9 212.6 81 85 1 Q H < S+ 0 0 107 -4,-0.5 -2,-0.2 -6,-0.2 -3,-0.1 0.829 84.5 114.4 -59.4 -36.1 39.5 59.0 210.5 82 86 1 D >< - 0 0 43 -4,-1.6 3,-0.6 1,-0.2 8,-0.1 -0.136 49.4-167.4 -43.0 114.8 39.7 62.8 210.5 83 87 1 V T 3 S+ 0 0 99 1,-0.2 -1,-0.2 7,-0.0 4,-0.1 0.692 78.8 79.1 -80.4 -20.4 40.3 63.7 206.8 84 88 1 S T 3 S+ 0 0 108 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.783 82.7 81.6 -57.3 -26.5 41.1 67.3 207.9 85 89 1 V S < S- 0 0 44 -3,-0.6 0, 0.0 -5,-0.1 0, 0.0 -0.657 95.0-107.5 -86.4 136.1 44.5 65.9 208.9 86 90 1 D > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.289 24.0-126.8 -58.4 142.5 47.2 65.5 206.3 87 91 1 L H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.805 105.8 66.1 -62.2 -31.5 47.7 61.8 205.4 88 92 1 E H > S+ 0 0 71 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.909 112.2 31.6 -57.8 -44.2 51.4 62.2 206.1 89 93 1 E H >> S+ 0 0 58 -3,-0.5 4,-1.2 2,-0.2 3,-0.7 0.942 112.3 60.6 -78.7 -53.2 50.8 62.8 209.8 90 94 1 R H 3X S+ 0 0 6 -4,-2.2 4,-1.4 1,-0.3 3,-0.3 0.877 102.1 56.0 -40.4 -50.6 47.7 60.7 210.4 91 95 1 A H 3X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.910 99.1 61.0 -50.0 -50.4 49.7 57.6 209.4 92 96 1 E H X S+ 0 0 67 -4,-2.7 3,-1.1 1,-0.2 4,-1.0 0.908 114.1 53.3 -57.4 -45.6 52.9 54.8 217.1 97 101 1 A H 3< S+ 0 0 36 -4,-4.2 3,-0.4 -5,-0.3 -1,-0.2 0.858 105.1 56.2 -58.6 -35.7 49.5 53.7 218.4 98 102 1 I H 3< S+ 0 0 55 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.727 95.3 66.3 -69.8 -22.3 50.3 50.2 217.2 99 103 1 E H << 0 0 88 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.903 360.0 360.0 -65.9 -39.4 53.5 50.2 219.3 100 104 1 K < 0 0 129 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.1 0.999 360.0 360.0 -66.9 360.0 51.4 50.3 222.4 101 ! 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 0.0 102 114 1 T > 0 0 130 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 170.5 57.6 39.1 213.0 103 115 1 D T 4 + 0 0 77 1,-0.2 -92,-0.7 2,-0.2 4,-0.2 0.373 360.0 40.7 -79.6 7.4 59.7 41.7 211.1 104 116 1 N T > S+ 0 0 51 -94,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.656 106.4 57.2-118.4 -43.7 57.6 40.6 208.1 105 117 1 F T 4 S+ 0 0 55 1,-0.2 -2,-0.2 2,-0.2 5,-0.1 0.788 101.4 64.6 -60.3 -27.2 54.1 40.2 209.7 106 118 1 Y T >X S+ 0 0 77 -4,-1.2 4,-2.2 2,-0.1 3,-1.1 0.983 108.0 35.6 -59.2 -61.6 54.5 43.8 210.6 107 119 1 S H 3> S+ 0 0 3 1,-0.3 4,-1.9 2,-0.2 2,-0.9 0.965 112.8 56.9 -58.2 -57.6 54.6 45.1 207.1 108 120 1 R H 3< S+ 0 0 40 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.175 114.8 44.5 -64.1 24.8 52.1 42.6 205.7 109 121 1 X H <> S+ 0 0 43 -3,-1.1 4,-2.4 -2,-0.9 3,-0.3 0.501 100.4 60.4-131.9 -46.7 49.8 44.1 208.4 110 122 1 L H X S+ 0 0 6 -4,-2.2 4,-2.5 -3,-0.3 5,-0.3 0.866 97.1 69.2 -54.8 -33.8 50.3 47.8 208.2 111 123 1 Y H X S+ 0 0 0 -4,-1.9 4,-3.4 1,-0.2 -1,-0.2 0.947 106.1 35.2 -47.1 -60.1 49.0 47.2 204.6 112 124 1 Y H > S+ 0 0 38 -3,-0.3 4,-1.6 2,-0.2 5,-0.3 0.940 111.7 59.4 -61.0 -51.7 45.5 46.4 205.9 113 125 1 L H < S+ 0 0 23 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.856 117.0 36.6 -47.0 -35.9 45.7 48.9 208.8 114 126 1 F H >X>S+ 0 0 1 -4,-2.5 4,-3.7 -5,-0.2 5,-2.2 0.930 109.1 60.8 -81.0 -51.3 46.2 51.5 206.1 115 127 1 R H 3<5S+ 0 0 20 -4,-3.4 6,-2.2 -5,-0.3 -2,-0.2 0.634 113.1 41.0 -51.9 -15.7 43.9 50.0 203.5 116 128 1 D T 3<5S+ 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.507 123.7 33.9-113.5 -6.8 41.1 50.5 206.0 117 129 1 F T <45S+ 0 0 32 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.2 0.699 141.0 9.5-113.2 -36.7 42.0 53.9 207.3 118 130 1 F T <5S+ 0 0 24 -4,-3.7 -3,-0.2 -5,-0.1 -4,-0.1 0.516 121.6 65.6-120.5 -14.0 43.4 55.6 204.3 119 131 1 G S - 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0 0 103 1,-0.1 4,-3.3 -248,-0.1 5,-0.2 -0.167 69.0-131.5 -55.5 144.1 51.8 61.0 176.5 474 486 1 Y H > S+ 0 0 27 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.879 106.3 53.0 -68.7 -38.6 49.3 63.9 176.7 475 487 1 K H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.966 117.5 38.8 -60.1 -50.0 51.1 65.6 179.6 476 488 1 E H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 116.5 51.0 -68.0 -41.5 54.4 65.5 177.6 477 489 1 V H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 5,-0.2 0.950 108.9 50.4 -62.0 -46.9 52.8 66.3 174.3 478 490 1 T H X S+ 0 0 3 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.885 108.0 55.5 -58.6 -37.4 50.9 69.3 175.7 479 491 1 R H X S+ 0 0 100 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.936 108.3 45.5 -61.6 -46.6 54.2 70.5 177.1 480 492 1 Y H X S+ 0 0 39 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.743 115.4 48.8 -69.3 -21.9 56.0 70.5 173.8 481 493 1 I H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.893 109.4 49.1 -82.2 -45.3 53.0 72.1 172.1 482 494 1 H H X S+ 0 0 35 -4,-3.2 4,-2.2 -5,-0.2 3,-0.3 0.937 109.5 59.8 -55.5 -40.2 52.8 74.8 174.8 483 495 1 A H X S+ 0 0 33 -4,-2.4 4,-2.2 -5,-0.3 3,-0.3 0.953 101.9 46.9 -48.2 -66.9 56.5 75.0 174.0 484 496 1 Y H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 109.1 57.0 -48.9 -34.4 56.1 75.9 170.3 485 497 1 Y H < S+ 0 0 35 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.973 107.7 47.7 -63.9 -51.4 53.5 78.5 171.2 486 498 1 R H < S- 0 0 146 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.898 140.1 -11.1 -56.2 -49.1 56.0 80.2 173.5 487 499 1 N X - 0 0 78 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 -0.648 56.1-172.4-158.4 96.5 58.8 80.2 171.0 488 500 1 P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.828 88.9 57.9 -59.0 -31.5 58.7 78.2 167.8 489 501 1 E H > S+ 0 0 143 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.996 114.4 33.3 -62.4 -62.3 62.3 79.0 167.1 490 502 1 L H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 117.3 57.8 -60.4 -39.8 63.7 77.6 170.3 491 503 1 A H X S+ 0 0 6 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.919 106.0 48.3 -58.1 -45.3 61.1 74.9 170.3 492 504 1 X H X S+ 0 0 24 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.868 110.6 51.2 -63.2 -39.9 62.1 73.6 166.9 493 505 1 T H X S+ 0 0 77 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.911 108.4 49.5 -66.1 -46.1 65.7 73.5 167.7 494 506 1 K H <>S+ 0 0 90 -4,-2.3 5,-2.2 1,-0.2 3,-0.4 0.899 110.6 52.1 -60.7 -39.7 65.3 71.5 170.9 495 507 1 X H ><5S+ 0 0 3 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.893 109.5 48.1 -64.7 -38.1 63.1 69.0 169.1 496 508 1 E H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.681 111.4 53.3 -75.0 -16.0 65.8 68.5 166.3 497 509 1 E T 3<5S- 0 0 133 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.1 -0.410 114.2-112.5-113.9 51.7 68.4 68.1 169.1 498 510 1 G T < 5 0 0 59 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.621 360.0 360.0 19.8 50.7 66.6 65.3 171.0 499 511 1 L < 0 0 116 -5,-2.2 -1,-0.2 -6,-0.1 -4,-0.2 0.450 360.0 360.0-139.7 360.0 65.9 67.5 174.1 500 !* 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 0.0 501 5 2 H > 0 0 61 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -58.8 3.4 29.1 202.2 502 6 2 Y H > + 0 0 3 1,-0.2 4,-3.8 2,-0.2 5,-0.1 0.712 360.0 59.5 -70.2 -23.7 1.9 25.6 201.8 503 7 2 D H > S+ 0 0 115 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.890 107.4 48.7 -70.4 -37.8 5.1 23.8 202.4 504 8 2 I H >> S+ 0 0 19 2,-0.2 3,-1.3 -3,-0.2 4,-1.2 0.975 115.2 44.2 -61.4 -53.6 5.2 25.5 205.7 505 9 2 L H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.967 104.8 60.4 -55.2 -58.0 1.6 24.4 206.3 506 10 2 R H 3< S+ 0 0 64 -4,-3.8 4,-0.3 1,-0.2 -1,-0.3 0.711 101.9 60.5 -43.8 -20.7 2.2 20.9 205.0 507 11 2 R H X< S+ 0 0 162 -3,-1.3 3,-0.6 -4,-0.7 -1,-0.2 0.993 112.5 30.7 -70.4 -67.8 4.6 20.7 207.9 508 12 2 H H 3< S+ 0 0 46 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.607 86.0 118.3 -67.0 -13.8 2.2 21.3 210.8 509 13 2 I T 3< - 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0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.291 24.0-122.4 -64.4 148.9 9.7 31.9 164.6 743 247 2 S H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.798 113.2 56.2 -63.1 -27.4 13.2 30.5 165.4 744 248 2 G H > S+ 0 0 20 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.947 107.1 45.3 -68.2 -50.6 14.6 32.5 162.6 745 249 2 V H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 112.8 53.7 -58.5 -43.0 13.3 35.8 163.9 746 250 2 L H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.902 109.7 46.4 -59.2 -40.3 14.5 34.7 167.3 747 251 2 A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.949 110.3 54.0 -65.2 -48.4 18.0 34.1 165.8 748 252 2 Y H X S+ 0 0 1 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.921 110.7 46.1 -49.8 -47.3 17.8 37.4 164.0 749 253 2 L H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.826 105.9 59.7 -66.7 -34.4 17.1 39.1 167.4 750 254 2 W H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 3,-0.2 0.978 110.4 41.3 -55.8 -58.1 19.9 37.2 169.1 751 255 2 L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.904 113.3 56.8 -55.2 -45.0 22.4 38.8 166.8 752 256 2 A H <>S+ 0 0 1 -4,-2.1 5,-3.1 -5,-0.3 -1,-0.2 0.874 109.7 41.0 -57.6 -44.0 20.6 42.1 167.0 753 257 2 I H ><5S+ 0 0 5 -4,-2.7 3,-1.1 -3,-0.2 -1,-0.2 0.780 112.7 56.2 -78.9 -23.0 20.9 42.4 170.8 754 258 2 E H 3<5S+ 0 0 51 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.917 108.1 47.8 -67.9 -45.2 24.5 41.0 170.7 755 259 2 H T 3<5S- 0 0 18 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.027 121.8-114.5 -84.3 25.4 25.3 43.8 168.3 756 260 2 K T < 5 + 0 0 71 -3,-1.1 2,-0.3 1,-0.2 97,-0.2 0.678 53.9 165.1 47.8 33.2 23.6 46.2 170.7 757 261 2 F < - 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0 0 23 -17,-3.0 2,-0.5 -2,-0.4 7,-0.2 -0.231 19.4-139.7 -65.4 151.3 11.0 52.5 191.4 808 312 2 R B -I 813 0H 53 5,-2.6 5,-1.8 2,-0.0 2,-1.1 -0.966 8.5-152.2-117.7 113.6 9.8 53.9 194.7 809 313 2 T 0 0 139 -2,-0.5 5,-0.1 3,-0.2 -2,-0.0 -0.720 360.0 360.0 -90.0 94.6 6.1 55.2 194.7 810 314 2 G 0 0 83 -2,-1.1 -2,-0.0 0, 0.0 0, 0.0 -0.772 360.0 360.0-147.9 360.0 6.0 57.9 197.3 811 ! 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 0.0 812 319 2 E 0 0 123 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 130.7 10.0 59.4 196.0 813 320 2 I B -I 808 0H 6 -5,-1.8 -5,-2.6 4,-0.0 2,-0.1 -0.958 360.0-168.4-136.7 118.9 12.1 57.9 193.2 814 321 2 D > - 0 0 43 -2,-0.4 4,-2.3 -7,-0.2 5,-0.2 -0.453 38.8-102.9-101.5 171.7 10.9 57.6 189.6 815 322 2 X H > S+ 0 0 10 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.924 120.1 59.8 -56.7 -45.1 12.2 55.8 186.5 816 323 2 Y H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.936 106.7 45.1 -47.0 -58.1 13.5 59.1 185.2 817 324 2 D H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 116.8 44.5 -52.1 -57.6 15.7 59.7 188.2 818 325 2 L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.907 113.1 52.6 -54.6 -45.5 17.1 56.1 188.1 819 326 2 L H X S+ 0 0 1 -4,-3.7 4,-1.5 1,-0.2 -2,-0.2 0.921 111.7 42.0 -59.6 -52.7 17.6 56.2 184.3 820 327 2 R H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.1 53.1 -65.4 -33.2 19.6 59.4 184.1 821 328 2 A H >< S+ 0 0 0 -4,-2.2 3,-2.6 -5,-0.3 -2,-0.2 0.988 109.3 45.1 -62.1 -61.7 21.5 58.2 187.2 822 329 2 A H >< S+ 0 0 2 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.773 104.0 68.6 -53.0 -28.7 22.5 54.8 185.8 823 330 2 L T 3< S+ 0 0 33 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.495 83.0 72.4 -72.3 -3.0 23.4 56.7 182.6 824 331 2 R T < S+ 0 0 5 -3,-2.6 -1,-0.3 -4,-0.1 -2,-0.2 0.514 97.9 54.1 -89.5 -0.8 26.3 58.3 184.3 825 332 2 Q S < S- 0 0 4 -3,-1.4 -628,-0.0 -4,-0.2 -691,-0.0 -0.160 100.6 -93.7-112.0-153.5 28.1 55.1 184.3 826 333 2 R + 0 0 92 -2,-0.1 -41,-0.2 25,-0.0 -3,-0.1 0.100 49.6 166.0-121.6 39.3 29.0 52.8 181.6 827 334 2 P - 0 0 4 0, 0.0 -41,-0.2 0, 0.0 25,-0.1 -0.076 27.5-152.1 -49.9 141.0 26.2 50.1 181.5 828 335 2 D S S+ 0 0 35 -43,-1.6 24,-1.6 1,-0.3 2,-0.4 0.854 80.3 27.6 -85.2 -35.3 26.2 47.9 178.4 829 336 2 Y E -de 786 852G 5 -44,-2.4 -42,-3.1 22,-0.1 2,-0.4 -0.986 63.3-167.1-134.7 132.8 22.5 47.2 178.5 830 337 2 I E -de 787 853G 0 22,-2.9 24,-2.5 -2,-0.4 2,-0.4 -0.953 4.1-171.0-117.5 128.8 19.6 49.1 179.9 831 338 2 I E +de 788 854G 0 -44,-2.5 -42,-3.3 -2,-0.4 24,-0.2 -0.978 9.2 175.7-120.1 132.3 16.2 47.6 180.3 832 339 2 V - 0 0 1 22,-2.2 2,-0.5 -2,-0.4 23,-0.2 0.692 24.2-148.4-107.8 -31.5 13.2 49.9 181.3 833 340 2 G S S+ 0 0 9 21,-0.4 2,-0.1 -43,-0.1 22,-0.1 -0.095 76.9 2.5 91.5 -44.0 10.2 47.5 181.2 834 341 2 E - 0 0 29 -2,-0.5 2,-0.5 21,-0.1 23,-0.2 -0.487 63.6-146.1-179.7 106.4 7.7 50.1 180.1 835 342 2 V + 0 0 3 21,-1.7 23,-0.4 1,-0.2 39,-0.1 -0.698 29.5 160.4 -79.2 124.1 8.2 53.7 179.2 836 343 2 R - 0 0 122 -2,-0.5 2,-0.2 21,-0.1 38,-0.2 0.451 58.6 -15.4-121.3 -12.5 5.1 55.6 180.3 837 344 2 G S > S- 0 0 11 36,-0.1 3,-4.0 37,-0.1 4,-0.3 -0.783 107.5 -6.0-160.8-155.5 6.4 59.2 180.5 838 345 2 R T >> S+ 0 0 117 1,-0.3 3,-2.5 -2,-0.2 4,-0.6 0.696 115.7 64.7 -16.9 -57.4 9.2 61.8 180.6 839 346 2 E H 3> S+ 0 0 17 1,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.719 81.5 81.0 -50.6 -24.9 12.0 59.1 180.9 840 347 2 A H <> S+ 0 0 0 -3,-4.0 4,-1.6 1,-0.2 -1,-0.3 0.865 91.8 51.1 -50.5 -37.7 11.0 57.9 177.4 841 348 2 Q H <> S+ 0 0 55 -3,-2.5 4,-1.1 33,-0.4 3,-0.4 0.975 110.6 47.0 -64.1 -53.7 13.1 60.9 176.1 842 349 2 T H >X S+ 0 0 15 -4,-0.6 4,-2.6 1,-0.3 3,-0.8 0.895 108.1 56.3 -53.4 -46.7 16.1 59.8 178.3 843 350 2 L H 3X S+ 0 0 0 -4,-3.4 4,-1.3 1,-0.3 -1,-0.3 0.883 107.6 48.7 -56.3 -39.2 15.7 56.2 177.1 844 351 2 F H 3X S+ 0 0 2 -4,-1.6 4,-1.6 -3,-0.4 -1,-0.3 0.721 108.9 53.4 -75.4 -19.2 16.0 57.4 173.5 845 352 2 Q H S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 -2,-0.2 0.907 106.9 49.5 -49.8 -43.7 20.7 56.4 175.9 847 354 2 X H ><5S+ 0 0 12 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.949 107.3 52.6 -60.6 -51.4 20.3 54.9 172.5 848 355 2 S H 3<5S+ 0 0 1 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.0 53.5 -54.1 -34.1 21.8 58.0 170.8 849 356 2 T T 3<5S- 0 0 45 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 -0.009 126.1 -94.3 -96.6 31.6 24.8 57.6 173.1 850 357 2 G T < 5S+ 0 0 24 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.602 75.9 141.1 72.4 16.9 25.6 54.0 172.3 851 358 2 H < - 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0 0 32 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 -0.754 60.5-164.9-164.7 112.8 32.6 29.3 171.7 993 500 2 P H > S+ 0 0 37 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.923 88.1 43.4 -65.3 -53.5 30.2 28.6 168.9 994 501 2 E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 117.0 46.9 -65.8 -40.3 31.7 25.5 167.2 995 502 2 L H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 114.9 49.0 -66.3 -37.7 32.4 23.8 170.6 996 503 2 A H X S+ 0 0 9 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.937 110.9 48.5 -67.2 -46.4 28.9 24.7 171.6 997 504 2 X H X S+ 0 0 23 -4,-3.1 4,-2.7 2,-0.2 3,-0.4 0.925 111.4 49.3 -58.4 -50.0 27.2 23.4 168.4 998 505 2 T H X S+ 0 0 71 -4,-2.4 4,-0.9 1,-0.3 6,-0.2 0.958 110.2 50.5 -56.0 -52.5 29.0 20.1 168.5 999 506 2 K H <>S+ 0 0 88 -4,-2.0 5,-0.6 1,-0.2 -1,-0.3 0.750 110.8 51.6 -59.7 -24.6 28.1 19.6 172.2 1000 507 2 X H ><5S+ 0 0 2 -4,-1.3 3,-1.3 -3,-0.4 -2,-0.2 0.963 116.1 37.3 -76.2 -53.7 24.5 20.3 171.3 1001 508 2 E H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.448 114.5 59.8 -76.9 3.4 24.2 17.9 168.5 1002 509 2 E T 3<5S- 0 0 139 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.312 114.7-109.0-112.2 8.5 26.4 15.4 170.4 1003 510 2 G T < 5 0 0 53 -3,-1.3 -3,-0.1 -5,-0.1 -4,-0.1 0.191 360.0 360.0 88.5 -16.2 24.2 15.0 173.4 1004 511 2 L < 0 0 128 -5,-0.6 -4,-0.1 -6,-0.2 -5,-0.1 -0.085 360.0 360.0 -75.7 360.0 26.3 16.9 176.0