==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-MAY-06 2DPW . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA0179; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR P.H.REHSE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS IN . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 1 1 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 1 A X 0 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.2 23.0 4.8 105.3 2 2 A R - 0 0 118 1,-0.1 45,-0.2 45,-0.1 44,-0.1 -0.409 360.0-123.9 -65.9 129.7 22.4 8.3 103.9 3 3 A P - 0 0 75 0, 0.0 45,-3.2 0, 0.0 2,-0.1 -0.305 33.0 -99.9 -70.0 157.8 19.8 10.4 105.9 4 4 A S E -a 48 0A 23 80,-0.5 84,-1.3 82,-0.3 2,-0.3 -0.419 33.4-177.1 -85.7 155.9 16.8 11.8 104.1 5 5 A A E -ab 49 88A 0 43,-2.0 45,-3.0 82,-0.2 2,-0.4 -0.927 13.5-146.2-140.1 157.3 16.1 15.2 102.8 6 6 A I E -ab 50 89A 0 82,-2.6 84,-2.5 -2,-0.3 2,-0.6 -0.995 2.9-158.8-135.4 133.1 13.0 16.6 101.1 7 7 A V E -ab 51 90A 0 43,-3.4 45,-3.3 -2,-0.4 2,-1.4 -0.930 2.8-163.6-115.4 113.4 12.8 19.2 98.4 8 8 A L E +ab 52 91A 12 82,-2.6 84,-0.9 -2,-0.6 45,-0.1 -0.686 32.4 148.8 -93.4 78.0 9.5 20.9 98.0 9 9 A A + 0 0 3 -2,-1.4 16,-0.5 43,-1.3 45,-0.2 0.355 35.7 121.9 -90.7 2.1 10.1 22.3 94.5 10 10 A G + 0 0 21 42,-0.8 82,-0.2 43,-0.1 43,-0.1 -0.143 29.1 101.2 -61.0 162.4 6.4 22.0 94.0 11 11 A G - 0 0 33 12,-0.1 13,-0.6 13,-0.1 14,-0.3 0.185 57.1-127.9 123.6 117.2 4.5 25.1 93.0 12 12 A K B -I 23 0B 157 11,-0.2 2,-0.3 12,-0.1 11,-0.3 -0.533 36.9-177.5 -82.7 155.2 3.2 26.6 89.8 13 13 A E - 0 0 63 9,-2.8 4,-0.4 -2,-0.2 9,-0.1 -0.989 32.4-118.6-156.5 165.0 4.1 30.2 89.1 14 14 A A S > S+ 0 0 74 -2,-0.3 3,-1.9 2,-0.2 4,-0.2 0.997 104.4 31.5 -65.7 -78.0 3.8 33.2 86.8 15 15 A W G >> S+ 0 0 13 1,-0.3 3,-2.3 2,-0.2 4,-0.8 0.750 104.8 78.1 -60.3 -22.6 7.1 34.3 85.3 16 16 A A G 34>S+ 0 0 0 1,-0.3 5,-2.1 6,-0.2 3,-0.5 0.800 88.5 56.5 -58.4 -28.2 8.2 30.7 85.4 17 17 A E G X45S+ 0 0 115 -3,-1.9 3,-0.8 -4,-0.4 -1,-0.3 0.587 90.1 73.0 -81.2 -7.1 6.1 30.1 82.3 18 18 A R T <45S+ 0 0 183 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.893 103.2 41.2 -67.6 -38.2 8.1 32.9 80.6 19 19 A F T 3<5S- 0 0 86 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.238 126.4-113.9 -88.7 11.0 10.9 30.3 80.5 20 20 A G T < 5S+ 0 0 59 -3,-0.8 -3,-0.3 -5,-0.2 -2,-0.1 0.886 86.0 109.9 57.7 45.7 8.1 27.9 79.6 21 21 A V < - 0 0 31 -5,-2.1 -4,-0.2 -6,-0.1 3,-0.1 0.805 59.2-150.5-111.6 -63.4 8.4 25.9 82.8 22 22 A G S S+ 0 0 11 -9,-0.1 -9,-2.8 -6,-0.1 2,-0.4 -0.415 76.4 66.2 117.1 -55.0 5.4 26.3 85.2 23 23 A S B > S-I 12 0B 10 -11,-0.3 3,-1.4 -7,-0.2 4,-0.2 -0.845 78.0-135.5-102.5 137.3 7.3 25.7 88.5 24 24 A K G > S+ 0 0 22 -13,-0.6 3,-1.6 -2,-0.4 10,-0.2 0.819 101.4 66.6 -59.3 -32.3 9.9 28.2 89.6 25 25 A A G 3 S+ 0 0 3 -16,-0.5 10,-2.3 -14,-0.3 11,-0.3 0.727 97.8 52.8 -62.2 -25.4 12.3 25.4 90.6 26 26 A L G < S+ 0 0 11 -3,-1.4 -1,-0.3 8,-0.2 -2,-0.2 0.383 80.1 113.2 -92.9 1.2 12.6 24.3 86.9 27 27 A V S < S- 0 0 0 -3,-1.6 7,-2.9 -4,-0.2 8,-0.1 -0.582 78.8-108.5 -72.3 133.5 13.6 27.8 85.8 28 28 A P E -J 33 0C 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.322 36.6-173.3 -64.5 146.9 17.3 27.6 84.7 29 29 A Y E > -J 32 0C 7 3,-3.4 3,-2.0 -3,-0.0 202,-0.1 -0.963 68.6 -19.9-143.5 124.7 19.9 29.2 86.9 30 30 A R T 3 S- 0 0 182 200,-0.4 201,-0.0 -2,-0.4 200,-0.0 0.803 134.6 -39.3 45.8 37.6 23.5 29.5 85.9 31 31 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.092 125.6 66.5 108.8 -25.6 23.1 26.7 83.3 32 32 A R E < S-J 29 0C 55 -3,-2.0 -3,-3.4 -5,-0.1 2,-0.3 -0.893 97.3 -77.7-130.0 161.0 20.8 24.2 85.0 33 33 A P E > -J 28 0C 43 0, 0.0 3,-3.0 0, 0.0 4,-0.4 -0.411 57.2-118.7 -57.7 114.7 17.2 24.0 86.3 34 34 A X T >> S+ 0 0 0 -7,-2.9 3,-1.4 -2,-0.3 4,-0.6 0.658 106.5 61.2 -21.1 -51.5 17.6 25.9 89.5 35 35 A V H 3> S+ 0 0 0 -10,-2.3 4,-2.4 1,-0.3 3,-0.4 0.717 87.7 72.2 -62.2 -23.0 16.7 23.1 91.9 36 36 A E H <> S+ 0 0 11 -3,-3.0 4,-3.1 -11,-0.3 -1,-0.3 0.773 90.5 59.8 -65.5 -24.3 19.6 20.9 90.8 37 37 A W H <> S+ 0 0 72 -3,-1.4 4,-1.9 -4,-0.4 -1,-0.3 0.872 107.9 46.4 -68.6 -35.2 22.0 23.2 92.6 38 38 A V H X S+ 0 0 0 -4,-0.6 4,-2.3 -3,-0.4 -2,-0.2 0.941 112.9 47.5 -70.7 -47.9 20.0 22.3 95.7 39 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.932 110.9 52.3 -58.5 -47.6 20.0 18.6 94.9 40 40 A E H X S+ 0 0 69 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.929 110.6 49.1 -53.5 -46.3 23.7 18.7 94.3 41 41 A A H X S+ 0 0 6 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.872 110.2 50.1 -62.2 -40.5 24.2 20.4 97.6 42 42 A L H <>S+ 0 0 1 -4,-2.3 5,-2.0 2,-0.2 3,-0.5 0.962 113.7 42.4 -65.2 -53.3 22.1 17.9 99.5 43 43 A Y H ><5S+ 0 0 54 -4,-2.4 3,-3.5 1,-0.2 -2,-0.2 0.949 109.4 62.2 -57.0 -47.4 23.8 14.8 98.2 44 44 A A H 3<5S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.853 102.8 48.2 -45.9 -43.0 27.1 16.7 98.7 45 45 A A T 3<5S- 0 0 8 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.317 129.7 -96.5 -85.9 12.4 26.4 16.8 102.4 46 46 A G T < 5S+ 0 0 21 -3,-3.5 2,-0.3 1,-0.3 -3,-0.2 0.691 80.3 129.5 86.7 21.5 25.6 13.1 102.4 47 47 A L < - 0 0 8 -5,-2.0 -1,-0.3 -45,-0.2 -43,-0.2 -0.711 55.8-130.9-109.8 160.5 21.8 13.1 102.2 48 48 A S E -a 4 0A 30 -45,-3.2 -43,-2.0 -2,-0.3 2,-0.4 -0.928 31.1-145.2-108.8 106.7 19.3 11.3 100.0 49 49 A P E -a 5 0A 0 0, 0.0 14,-1.8 0, 0.0 15,-0.9 -0.590 7.6-154.1 -80.5 128.0 16.8 13.9 98.6 50 50 A V E -ac 6 64A 6 -45,-3.0 -43,-3.4 -2,-0.4 2,-0.6 -0.853 20.1-147.1 -95.6 132.4 13.2 13.1 98.1 51 51 A Y E -ac 7 65A 0 13,-3.3 15,-1.5 -2,-0.5 2,-0.7 -0.896 14.1-169.0-109.3 117.7 11.9 15.5 95.4 52 52 A V E +ac 8 66A 0 -45,-3.3 -43,-1.3 -2,-0.6 -42,-0.8 -0.896 55.4 46.9-106.2 115.0 8.3 16.8 95.4 53 53 A G S S- 0 0 7 13,-2.2 2,-0.4 -2,-0.7 -43,-0.1 -0.946 97.6 -31.0 151.5-170.1 7.4 18.5 92.1 54 54 A E - 0 0 119 -2,-0.3 3,-0.1 -45,-0.2 12,-0.1 -0.638 48.2-159.2 -82.1 134.3 7.6 18.1 88.3 55 55 A N + 0 0 52 -2,-0.4 -1,-0.0 1,-0.1 10,-0.0 -0.799 20.3 169.1-118.7 91.7 10.7 16.2 87.1 56 56 A P S S- 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 86.1 -50.0 -67.0 -27.7 11.5 16.9 83.4 57 57 A G S S- 0 0 52 -3,-0.1 2,-0.2 3,-0.1 4,-0.1 0.236 73.1-161.8 150.9 63.2 14.8 15.1 83.9 58 58 A L - 0 0 7 2,-0.1 -3,-0.0 4,-0.0 -32,-0.0 -0.433 13.2-127.2 -73.2 139.2 16.6 16.4 87.0 59 59 A V S S+ 0 0 85 1,-0.3 -19,-0.2 -2,-0.2 2,-0.1 -0.997 97.7 40.2-132.1 125.2 20.2 15.8 87.5 60 60 A P S S- 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.373 103.8-126.8 -72.9 139.3 21.3 14.6 89.9 61 61 A A - 0 0 71 -2,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.283 26.3-122.8 -54.5 129.6 18.4 12.3 89.9 62 62 A P - 0 0 14 0, 0.0 -12,-0.2 0, 0.0 3,-0.1 -0.374 17.9-112.4 -74.6 159.8 16.6 12.5 93.3 63 63 A A S S+ 0 0 55 -14,-1.8 2,-0.3 1,-0.2 -13,-0.2 0.868 100.1 2.6 -58.4 -40.5 16.1 9.4 95.4 64 64 A L E -c 50 0A 64 -15,-0.9 -13,-3.3 2,-0.0 2,-0.5 -0.987 65.0-149.7-147.2 148.1 12.4 9.5 94.9 65 65 A T E -c 51 0A 63 -2,-0.3 -13,-0.2 -15,-0.2 -10,-0.1 -0.838 17.9-176.8-126.4 93.6 10.2 11.8 92.9 66 66 A L E -c 52 0A 14 -15,-1.5 -13,-2.2 -2,-0.5 -2,-0.0 -0.571 25.5-116.9 -86.7 153.2 6.7 12.4 94.3 67 67 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.005 37.4 -82.2 -75.8-171.9 4.2 14.5 92.4 68 68 A D - 0 0 67 -16,-0.1 -60,-0.0 1,-0.1 -16,-0.0 -0.837 29.3-173.8-100.9 126.7 2.6 17.8 93.5 69 69 A R - 0 0 157 -2,-0.5 -1,-0.1 2,-0.2 3,-0.0 0.145 55.7-102.7-101.7 19.3 -0.4 17.7 95.8 70 70 A G S S+ 0 0 63 4,-0.1 2,-0.3 1,-0.0 3,-0.1 0.789 86.7 64.4 70.7 36.4 -0.9 21.4 95.6 71 71 A G S > S- 0 0 16 1,-0.1 4,-2.7 2,-0.0 5,-0.3 -0.851 76.7-115.0 177.8 145.5 0.5 22.9 98.8 72 72 A L H > S+ 0 0 79 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.817 117.2 32.3 -57.4 -36.7 3.7 23.4 100.8 73 73 A L H > S+ 0 0 16 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.598 114.8 59.0 -96.3 -14.6 2.6 21.3 103.8 74 74 A E H > S+ 0 0 81 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.898 109.2 44.6 -78.5 -42.8 0.5 18.9 101.7 75 75 A N H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.851 110.3 56.8 -68.0 -35.5 3.6 18.0 99.7 76 76 A L H X S+ 0 0 12 -4,-0.7 4,-2.0 -5,-0.3 -1,-0.2 0.898 106.7 47.6 -64.5 -40.0 5.6 17.8 103.0 77 77 A E H X S+ 0 0 52 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.936 110.9 52.5 -66.5 -43.1 3.2 15.2 104.4 78 78 A Q H >X S+ 0 0 10 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.962 112.7 43.6 -54.0 -57.2 3.4 13.1 101.2 79 79 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.832 106.6 61.9 -58.8 -36.7 7.2 13.1 101.2 80 80 A L H >< S+ 0 0 12 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.870 92.3 64.8 -59.6 -37.6 7.3 12.3 105.0 81 81 A E H << S+ 0 0 145 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.804 104.7 49.0 -55.2 -28.2 5.4 9.1 104.3 82 82 A H T << S+ 0 0 94 -3,-1.2 -1,-0.3 -4,-0.6 2,-0.3 0.183 106.7 61.5-100.1 17.3 8.6 8.1 102.4 83 83 A V < - 0 0 3 -3,-2.2 2,-0.3 -79,-0.1 4,-0.1 -0.874 56.6-157.3-137.2 172.0 11.2 9.0 105.0 84 84 A E + 0 0 140 -2,-0.3 -80,-0.5 2,-0.1 2,-0.2 -0.982 52.7 8.8-147.2 155.4 12.4 8.1 108.5 85 85 A G S S- 0 0 34 -2,-0.3 68,-1.7 -82,-0.1 2,-0.5 -0.500 110.3 -9.5 81.4-145.0 14.5 9.7 111.2 86 86 A R E S- D 0 152A 79 66,-0.2 2,-0.4 -2,-0.2 -82,-0.3 -0.837 73.0-168.8 -94.4 127.9 15.6 13.3 111.2 87 87 A V E - D 0 151A 1 64,-3.8 64,-3.9 -2,-0.5 2,-0.6 -0.954 18.6-140.6-125.3 140.9 15.0 15.0 107.8 88 88 A L E -bD 5 150A 2 -84,-1.3 -82,-2.6 -2,-0.4 2,-0.4 -0.840 20.1-157.7 -98.7 124.4 16.1 18.3 106.3 89 89 A V E +bD 6 149A 11 60,-3.8 60,-2.4 -2,-0.6 2,-0.3 -0.797 15.9 170.4-103.5 146.1 13.5 20.1 104.3 90 90 A A E -bD 7 148A 2 -84,-2.5 -82,-2.6 -2,-0.4 2,-0.2 -0.995 30.6-123.3-153.1 149.3 14.2 22.6 101.6 91 91 A T E > -b 8 0A 29 56,-1.4 3,-0.5 -2,-0.3 -82,-0.3 -0.584 29.3-121.9 -86.4 155.4 12.5 24.5 98.8 92 92 A G T 3 S+ 0 0 2 -84,-0.9 -54,-0.2 -2,-0.2 -55,-0.1 0.228 95.6 75.6 -85.9 19.0 13.8 24.2 95.3 93 93 A D T 3 + 0 0 20 1,-0.1 131,-1.6 54,-0.1 -1,-0.2 -0.021 64.5 89.5-119.6 30.1 14.5 27.9 94.8 94 94 A I X + 0 0 0 -3,-0.5 3,-1.8 129,-0.2 129,-0.1 -0.664 45.5 167.5-123.5 72.8 17.7 28.5 96.8 95 95 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 0.569 69.6 66.5 -62.2 -15.0 20.3 27.7 94.0 96 96 A H T 3 S+ 0 0 18 126,-0.5 123,-0.2 123,-0.2 124,-0.1 0.492 71.8 130.4 -86.7 -4.3 23.1 29.2 96.1 97 97 A L < - 0 0 9 -3,-1.8 2,-0.3 122,-0.2 -56,-0.2 -0.251 41.0-163.4 -54.1 131.6 22.7 26.5 98.7 98 98 A T > - 0 0 43 1,-0.1 4,-2.2 -57,-0.1 5,-0.1 -0.820 31.7-119.5-119.6 158.6 26.1 24.8 99.5 99 99 A E H > S+ 0 0 75 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.877 115.4 56.3 -60.7 -40.1 27.2 21.6 101.2 100 100 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 107.5 48.1 -59.1 -45.9 29.0 23.6 103.9 101 101 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 112.7 49.5 -60.6 -43.9 25.7 25.4 104.7 102 102 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.942 110.5 47.9 -62.9 -47.4 23.9 22.1 104.8 103 103 A R H X S+ 0 0 106 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.848 105.5 59.7 -64.6 -32.7 26.4 20.4 107.1 104 104 A F H X S+ 0 0 39 -4,-2.1 4,-3.5 -5,-0.3 5,-0.4 0.973 107.5 45.8 -56.7 -54.5 26.4 23.3 109.5 105 105 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.959 115.9 46.1 -49.7 -59.2 22.7 22.9 110.1 106 106 A L H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 119.9 39.6 -51.9 -47.5 23.1 19.2 110.5 107 107 A D H < S+ 0 0 115 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.751 124.3 35.5 -79.6 -26.2 26.1 19.5 112.8 108 108 A K H < S+ 0 0 131 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.530 84.3 116.8-106.8 -6.4 24.9 22.5 114.8 109 109 A A < - 0 0 11 -4,-2.4 104,-0.1 -5,-0.4 6,-0.0 -0.395 65.4-125.4 -63.1 132.2 21.2 21.9 115.0 110 110 A P - 0 0 24 0, 0.0 2,-1.3 0, 0.0 101,-0.1 -0.320 35.6 -85.5 -74.2 165.5 20.2 21.3 118.6 111 111 A E S S+ 0 0 154 2,-0.0 2,-0.3 -2,-0.0 3,-0.1 -0.589 80.1 128.3 -75.0 96.0 18.3 18.2 119.7 112 112 A A - 0 0 9 -2,-1.3 3,-0.1 1,-0.1 98,-0.1 -0.993 69.6-119.4-153.3 145.2 14.7 19.2 118.9 113 113 A A S S+ 0 0 3 -2,-0.3 39,-2.7 1,-0.2 2,-0.4 0.831 107.6 24.4 -49.1 -36.4 11.7 17.9 117.0 114 114 A L E +Ef 151 210A 22 95,-1.7 97,-2.6 37,-0.2 2,-0.4 -0.990 66.7 179.5-139.8 127.9 11.9 21.0 114.9 115 115 A V E -Ef 150 211A 1 35,-2.4 35,-2.4 -2,-0.4 97,-0.2 -0.994 7.9-165.3-130.0 126.8 14.8 23.3 114.1 116 116 A Y E - f 0 212A 80 95,-2.9 97,-1.5 -2,-0.4 33,-0.1 -0.897 15.3-139.6-117.7 107.3 14.6 26.3 111.9 117 117 A P E - f 0 213A 0 0, 0.0 29,-2.1 0, 0.0 2,-0.4 -0.379 21.2-170.1 -64.5 130.9 17.8 28.0 110.6 118 118 A I E -Gf 145 214A 16 95,-2.6 97,-3.2 27,-0.2 27,-0.2 -0.947 11.5-139.5-123.9 146.1 17.8 31.8 110.6 119 119 A V E -G 144 0A 1 25,-2.5 25,-1.7 -2,-0.4 2,-0.2 -0.865 16.2-123.0-109.6 136.8 20.3 34.2 109.1 120 120 A P E >> -G 143 0A 18 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.498 17.8-128.2 -75.2 139.7 21.6 37.5 110.6 121 121 A K H 3> S+ 0 0 86 21,-2.9 4,-1.5 1,-0.3 3,-0.5 0.930 108.2 69.2 -48.0 -45.4 21.2 40.7 108.6 122 122 A E H 34 S+ 0 0 124 20,-0.3 -1,-0.3 1,-0.3 21,-0.1 0.773 108.0 31.3 -42.3 -42.5 24.9 41.1 109.2 123 123 A A H X> S+ 0 0 25 -3,-1.4 3,-1.8 1,-0.1 4,-0.7 0.675 104.9 71.8 -95.9 -21.3 25.8 38.1 106.9 124 124 A V H 3X S+ 0 0 2 -4,-1.7 4,-1.1 -3,-0.5 3,-0.4 0.839 102.6 46.4 -62.9 -30.8 23.0 38.4 104.4 125 125 A E H 3< S+ 0 0 91 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.1 0.138 93.5 82.1 -98.4 20.4 24.7 41.5 103.0 126 126 A A H <4 S+ 0 0 82 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.758 116.6 4.6 -91.8 -35.4 28.1 39.8 103.0 127 127 A R H < S+ 0 0 125 -4,-0.7 3,-0.2 -3,-0.4 -2,-0.2 0.710 140.4 40.4-112.3 -45.6 27.5 38.1 99.7 128 128 A F >< + 0 0 13 -4,-1.1 3,-1.2 -5,-0.3 -3,-0.1 -0.210 59.5 160.7-103.5 48.3 24.1 39.4 98.6 129 129 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.672 78.5 52.3 -33.7 -36.2 24.2 43.2 99.5 130 130 A R T 3 S+ 0 0 111 -3,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.947 81.7 109.5 -70.1 -50.9 21.3 43.8 97.0 131 131 A T < - 0 0 22 -3,-1.2 2,-0.6 -7,-0.1 -3,-0.0 0.058 59.3-147.9 -36.5 119.6 18.9 41.2 98.3 132 132 A K + 0 0 198 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.853 23.7 178.8 -99.4 115.7 15.9 42.6 100.0 133 133 A R - 0 0 57 -2,-0.6 2,-0.8 89,-0.0 89,-0.0 -0.790 36.3-114.0-121.4 160.9 14.6 40.5 102.9 134 134 A T - 0 0 130 -2,-0.3 11,-0.4 11,-0.1 2,-0.1 -0.803 47.6-175.1 -89.1 106.6 11.8 40.5 105.6 135 135 A Y - 0 0 55 -2,-0.8 2,-0.3 9,-0.1 9,-0.2 -0.457 20.0-149.6-101.3 176.4 13.7 40.8 108.9 136 136 A A E -H 143 0A 44 7,-1.5 7,-1.9 -2,-0.1 2,-0.6 -0.970 16.1-132.8-147.0 126.8 12.8 40.7 112.6 137 137 A R E +H 142 0A 154 51,-0.4 56,-0.5 -2,-0.3 2,-0.3 -0.726 29.7 175.8 -87.7 116.8 14.6 42.5 115.4 138 138 A L E > -H 141 0A 21 3,-4.3 3,-3.0 -2,-0.6 56,-0.2 -0.841 46.6-109.3-115.9 155.1 15.3 40.3 118.4 139 139 A R T 3 S+ 0 0 162 54,-2.8 55,-0.2 -2,-0.3 -1,-0.1 0.853 124.7 51.1 -50.3 -32.4 17.2 41.2 121.5 140 140 A E T 3 S- 0 0 97 53,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.546 127.2 -78.5 -84.1 -6.4 19.9 38.9 120.2 141 141 A G E < - H 0 138A 23 -3,-3.0 -3,-4.3 50,-0.1 2,-0.4 -0.996 54.0 -53.6 151.7-156.9 19.9 40.5 116.7 142 142 A T E + H 0 137A 25 -2,-0.3 -21,-2.9 -5,-0.3 -20,-0.3 -0.987 57.4 161.3-130.6 121.2 18.2 41.0 113.4 143 143 A F E -GH 120 136A 17 -7,-1.9 -7,-1.5 -2,-0.4 2,-0.3 -0.797 28.7-149.2-134.2 175.1 17.4 37.9 111.3 144 144 A T E -G 119 0A 13 -25,-1.7 -25,-2.5 -2,-0.3 2,-0.2 -0.931 36.1 -97.4-140.0 159.0 15.4 36.5 108.5 145 145 A G E -G 118 0A 19 -11,-0.4 -27,-0.2 -2,-0.3 -11,-0.1 -0.528 31.6-129.0 -84.2 139.7 14.1 32.9 108.0 146 146 A G - 0 0 5 -29,-2.1 75,-0.3 -2,-0.2 -1,-0.1 -0.074 15.3-125.0 -74.9-173.1 15.8 30.2 106.0 147 147 A N S S+ 0 0 38 73,-2.7 -56,-1.4 -56,-0.1 2,-0.3 -0.043 87.1 87.5-117.8 21.9 14.2 28.1 103.3 148 148 A L E -D 90 0A 2 -31,-0.3 2,-0.3 -58,-0.2 -58,-0.2 -0.930 54.0-172.2-121.9 147.8 15.4 25.0 105.2 149 149 A L E -D 89 0A 44 -60,-2.4 -60,-3.8 -2,-0.3 2,-0.6 -0.944 11.6-152.0-145.9 120.4 13.6 23.1 108.0 150 150 A L E -DE 88 115A 3 -35,-2.4 -35,-2.4 -2,-0.3 2,-0.4 -0.817 24.2-176.3 -95.4 117.0 15.1 20.3 110.0 151 151 A L E -DE 87 114A 0 -64,-3.9 -64,-3.8 -2,-0.6 2,-1.0 -0.890 35.4-144.5-122.4 148.6 12.6 17.8 111.3 152 152 A D E >> -D 86 0A 31 -39,-2.7 4,-3.3 -2,-0.4 3,-0.8 -0.870 24.7-158.2-102.3 93.0 12.4 14.8 113.5 153 153 A K H 3> S+ 0 0 17 -68,-1.7 4,-3.3 -2,-1.0 -1,-0.2 0.873 89.3 48.7 -35.4 -59.2 9.7 13.0 111.5 154 154 A S H 34 S+ 0 0 74 -69,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.834 115.7 41.5 -54.7 -43.4 8.7 10.9 114.5 155 155 A L H X4 S+ 0 0 73 -3,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.879 118.5 46.6 -74.5 -38.0 8.6 13.8 116.9 156 156 A F H >X S+ 0 0 11 -4,-3.3 3,-4.4 -43,-0.2 4,-1.0 0.872 87.4 87.1 -69.6 -39.8 6.8 16.0 114.5 157 157 A R T 3< S+ 0 0 151 -4,-3.3 3,-0.5 -5,-0.3 -1,-0.2 0.761 90.9 50.1 -28.0 -44.5 4.3 13.4 113.4 158 158 A K T <4 S+ 0 0 144 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.539 105.4 54.2 -81.1 -7.0 2.1 14.5 116.4 159 159 A A T X> S+ 0 0 0 -3,-4.4 4,-2.9 1,-0.1 3,-1.4 0.567 77.7 96.9-102.0 -10.2 2.2 18.2 115.7 160 160 A L H 3X S+ 0 0 18 -4,-1.0 4,-2.9 -3,-0.5 5,-0.2 0.800 76.3 60.0 -50.3 -35.6 1.0 18.0 112.1 161 161 A P H 3> S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.892 113.7 37.7 -63.8 -33.5 -2.6 18.8 113.0 162 162 A L H <> S+ 0 0 64 -3,-1.4 4,-3.3 2,-0.2 5,-0.4 0.909 111.8 59.0 -78.2 -44.8 -1.5 22.1 114.4 163 163 A A H X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.923 107.3 48.1 -46.1 -51.3 1.0 22.6 111.7 164 164 A R H X S+ 0 0 117 -4,-2.9 4,-1.6 2,-0.2 -1,-0.3 0.916 113.0 48.7 -56.5 -46.7 -1.9 22.4 109.2 165 165 A R H >X S+ 0 0 157 -4,-1.3 3,-0.7 -5,-0.2 4,-0.5 0.976 114.3 42.8 -59.1 -58.2 -3.8 24.8 111.3 166 166 A V H >< S+ 0 0 46 -4,-3.3 3,-1.0 1,-0.3 -1,-0.2 0.847 113.0 54.0 -57.3 -37.2 -1.1 27.4 111.7 167 167 A V H >< S+ 0 0 53 -4,-2.8 3,-1.5 -5,-0.4 -1,-0.3 0.803 98.8 63.4 -69.2 -27.7 -0.1 27.0 108.0 168 168 A A H << S+ 0 0 60 -4,-1.6 3,-0.3 -3,-0.7 -1,-0.2 0.642 100.9 53.0 -71.4 -13.9 -3.7 27.7 107.0 169 169 A L T X< S+ 0 0 25 -3,-1.0 3,-1.0 -4,-0.5 7,-0.3 0.068 72.5 109.1-106.9 21.0 -3.3 31.2 108.5 170 170 A R T < S+ 0 0 174 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.810 85.8 42.7 -65.4 -27.8 -0.2 32.0 106.5 171 171 A K T 3 S+ 0 0 163 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.313 103.7 71.9 -97.7 0.8 -2.3 34.5 104.5 172 172 A R <> + 0 0 137 -3,-1.0 4,-3.3 1,-0.2 5,-0.3 -0.703 54.8 179.3-123.9 82.2 -4.2 36.0 107.4 173 173 A P H > S+ 0 0 101 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.905 84.6 45.2 -44.5 -60.5 -2.0 38.2 109.6 174 174 A L H > S+ 0 0 152 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.944 116.3 47.2 -51.6 -51.4 -4.7 39.2 112.0 175 175 A A H >> S+ 0 0 9 1,-0.2 4,-0.9 2,-0.2 3,-0.9 0.917 113.8 48.3 -55.7 -44.8 -5.8 35.6 112.3 176 176 A L H 3X S+ 0 0 48 -4,-3.3 4,-1.8 -7,-0.3 3,-0.3 0.851 104.7 57.7 -66.5 -35.2 -2.3 34.5 112.7 177 177 A A H 3X S+ 0 0 21 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.3 0.662 96.8 66.0 -71.6 -13.6 -1.5 37.0 115.4 178 178 A R H << S+ 0 0 203 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.935 104.2 43.4 -68.5 -48.6 -4.4 35.5 117.4 179 179 A L H < S+ 0 0 30 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.891 118.2 43.5 -63.7 -46.2 -2.4 32.3 117.7 180 180 A V H < S- 0 0 47 -4,-1.8 4,-0.2 1,-0.1 -2,-0.2 0.916 115.2-121.9 -66.2 -45.2 0.8 34.0 118.5 181 181 A G X - 0 0 14 -4,-2.5 4,-2.0 -5,-0.2 -3,-0.1 0.064 11.0-100.7 109.2 140.3 -0.9 36.5 120.9 182 182 A W H > S+ 0 0 165 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.930 116.1 56.0 -57.3 -53.3 -1.0 40.3 120.8 183 183 A D H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 110.2 45.4 -44.1 -58.2 1.6 40.9 123.5 184 184 A V H > S+ 0 0 20 -4,-0.2 4,-2.2 1,-0.2 5,-0.4 0.918 107.0 59.9 -55.0 -47.9 4.2 38.9 121.6 185 185 A L H X S+ 0 0 43 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.935 111.5 38.8 -45.7 -59.6 3.3 40.6 118.3 186 186 A L H X S+ 0 0 66 -4,-2.1 4,-1.4 1,-0.2 6,-0.4 0.926 109.1 63.1 -58.4 -49.0 4.2 44.0 119.6 187 187 A K H >X>S+ 0 0 57 -4,-2.6 5,-1.7 -5,-0.3 6,-0.8 0.907 115.4 29.4 -44.3 -55.6 7.2 42.8 121.5 188 188 A L H 3<5S+ 0 0 49 -4,-2.2 -51,-0.4 4,-0.3 3,-0.3 0.846 110.7 66.3 -77.4 -31.8 9.1 41.6 118.5 189 189 A L H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.722 113.3 37.4 -59.2 -16.6 7.5 44.2 116.2 190 190 A L H <<5S- 0 0 109 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.571 115.5-114.9-107.0 -16.0 9.5 46.5 118.5 191 191 A G T <5S+ 0 0 11 -4,-0.7 -3,-0.2 -3,-0.3 -50,-0.1 0.338 86.4 122.9 92.8 -4.7 12.6 44.3 118.8 192 192 A R < + 0 0 148 -5,-1.7 -4,-0.3 -6,-0.4 2,-0.2 0.489 54.4 85.9 -67.6 -2.9 11.5 44.2 122.4 193 193 A L - 0 0 3 -6,-0.8 -54,-2.8 -56,-0.5 2,-0.3 -0.642 67.3-140.3-104.2 157.9 11.3 40.4 122.1 194 194 A S > - 0 0 14 -56,-0.2 4,-2.2 -2,-0.2 3,-0.3 -0.817 22.3-114.7-119.3 160.9 13.9 37.7 122.4 195 195 A L H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.868 114.6 48.1 -57.1 -45.0 14.9 34.5 120.7 196 196 A A H > S+ 0 0 56 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.817 109.7 55.1 -69.1 -27.7 14.1 32.1 123.6 197 197 A E H > S+ 0 0 56 -3,-0.3 4,-1.6 2,-0.2 5,-0.2 0.929 109.1 47.3 -67.5 -44.6 10.8 33.8 124.0 198 198 A V H >X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.969 115.8 44.7 -57.9 -55.0 10.1 33.1 120.3 199 199 A E H 3X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 11,-0.3 0.894 110.8 53.2 -56.7 -46.9 11.1 29.5 120.7 200 200 A A H 3X S+ 0 0 57 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.787 112.8 43.6 -62.6 -30.1 9.2 29.0 124.0 201 201 A R H - 0 0 50 1,-0.1 3,-1.5 -116,-0.1 4,-0.1 -0.770 57.4-170.4 -93.0 103.7 25.4 30.9 105.6 218 218 A P G >> S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 3,-2.0 0.587 76.8 81.3 -67.0 -11.8 22.9 33.2 103.9 219 219 A E G 34 S+ 0 0 11 1,-0.3 -123,-0.2 2,-0.2 -122,-0.2 0.624 78.6 75.2 -68.9 -9.1 22.6 30.8 100.9 220 220 A V G <4 S+ 0 0 0 -3,-1.5 -73,-2.7 -5,-0.1 -1,-0.3 0.646 114.5 14.1 -74.7 -16.7 20.2 29.1 103.3 221 221 A G T <4 S+ 0 0 2 -3,-2.0 2,-1.2 -75,-0.3 -2,-0.2 0.582 92.5 103.5-134.7 -18.3 17.6 31.7 102.7 222 222 A V < + 0 0 7 -4,-2.2 -126,-0.5 -128,-0.1 -125,-0.1 -0.590 52.5 176.4 -75.6 98.4 18.4 33.9 99.6 223 223 A D - 0 0 20 -2,-1.2 2,-0.5 -129,-0.1 -129,-0.2 -0.299 31.8-107.0 -93.3-179.6 16.0 32.5 97.1 224 224 A V + 0 0 1 -131,-1.6 3,-0.1 1,-0.1 -1,-0.0 -0.954 39.6 160.4-113.6 125.8 15.4 33.6 93.5 225 225 A D + 0 0 72 -2,-0.5 2,-0.3 1,-0.3 -210,-0.2 0.599 60.9 4.8-118.9 -18.5 12.1 35.4 92.7 226 226 A R S >> S- 0 0 174 1,-0.1 3,-1.2 -211,-0.0 4,-1.1 -0.957 85.2 -75.5-158.4 175.2 12.6 37.2 89.5 227 227 A E H 3> S+ 0 0 69 -2,-0.3 4,-1.0 1,-0.3 3,-0.2 0.846 118.6 58.4 -45.5 -52.8 14.9 37.8 86.5 228 228 A E H >4 S+ 0 0 147 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.871 104.3 57.9 -48.6 -36.5 17.4 40.2 88.1 229 229 A D H <4 S+ 0 0 33 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.955 95.5 59.4 -58.0 -55.9 18.0 37.3 90.5 230 230 A L H 3< 0 0 31 -4,-1.1 -200,-0.4 1,-0.2 -1,-0.2 0.739 360.0 360.0 -47.0 -28.2 19.0 34.8 87.9 231 231 A V << 0 0 145 -4,-1.0 -1,-0.2 -3,-0.7 -202,-0.0 -0.581 360.0 360.0 -90.7 360.0 21.9 37.1 86.9