==== 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-SEP-02 1MQW . COMPND 2 MOLECULE: ADPR PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.-W.KANG,S.B.GABELLI,M.A.BIANCHET,J.E.CUNNINGHAM,S.F.O'HAND . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 21 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 1 1 0 1 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A D 0 0 137 0, 0.0 24,-0.1 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0-162.1 27.7 23.3 39.1 2 6 A F + 0 0 124 22,-0.8 2,-0.4 1,-0.2 23,-0.1 0.883 360.0 177.7 44.7 63.1 29.4 23.2 35.6 3 7 A E - 0 0 114 21,-0.3 21,-2.0 22,-0.1 2,-0.6 -0.765 31.3-122.3 -97.2 138.6 30.6 26.8 35.3 4 8 A T E +A 23 0A 63 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.680 28.5 179.7 -79.4 117.7 32.6 27.9 32.3 5 9 A I E + 0 0 75 17,-3.4 2,-0.3 -2,-0.6 -1,-0.2 0.850 64.8 2.9 -86.4 -38.2 35.9 29.3 33.6 6 10 A S E -A 22 0A 59 16,-0.8 16,-1.8 2,-0.0 2,-0.4 -0.997 55.7-153.1-153.5 146.4 37.4 30.3 30.2 7 11 A S E +A 21 0A 78 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.982 14.2 177.2-123.7 127.5 36.6 30.3 26.5 8 12 A E E -A 20 0A 98 12,-1.9 12,-3.5 -2,-0.4 2,-0.6 -0.993 23.9-137.9-131.3 124.0 39.3 30.0 23.7 9 13 A T E +A 19 0A 66 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.740 21.6 177.4 -85.2 119.0 38.4 29.9 20.0 10 14 A L E + 0 0 57 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.739 64.0 2.2 -91.3 -28.2 40.6 27.3 18.3 11 15 A H E -A 18 0A 98 7,-1.8 7,-3.9 2,-0.0 2,-0.5 -0.953 47.6-163.0-164.1 141.0 39.2 27.5 14.8 12 16 A T E +A 17 0A 81 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.990 28.0 164.8-126.1 118.6 36.7 29.3 12.7 13 17 A G - 0 0 27 3,-2.4 -2,-0.0 -2,-0.5 4,-0.0 -0.311 52.2 -73.1-115.5-158.2 35.8 27.7 9.4 14 18 A A S S+ 0 0 93 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.892 123.4 9.5 -69.7 -42.7 33.1 28.0 6.7 15 19 A I S S+ 0 0 69 1,-0.2 24,-0.9 23,-0.0 2,-0.3 0.435 127.3 24.1-122.3 0.1 30.3 26.4 8.7 16 20 A F E - B 0 38A 77 22,-0.2 -3,-2.4 23,-0.1 2,-0.4 -0.991 58.7-136.5-160.1 158.9 31.4 25.9 12.3 17 21 A A E -AB 12 37A 0 20,-1.6 20,-3.2 -2,-0.3 2,-0.6 -0.912 17.4-136.8-118.2 146.0 33.8 27.3 14.9 18 22 A L E -AB 11 36A 48 -7,-3.9 -8,-2.3 -2,-0.4 -7,-1.8 -0.922 26.7-179.9-105.5 123.4 35.8 25.2 17.3 19 23 A R E -AB 9 35A 41 16,-2.8 16,-3.0 -2,-0.6 2,-0.6 -0.968 17.7-152.7-125.8 137.1 35.9 26.5 20.8 20 24 A R E -AB 8 34A 71 -12,-3.5 -12,-1.9 -2,-0.4 2,-0.3 -0.940 18.5-174.6-112.0 117.0 37.7 25.0 23.9 21 25 A D E -AB 7 33A 7 12,-2.6 12,-2.5 -2,-0.6 2,-0.6 -0.729 23.3-135.1-107.5 157.1 36.1 25.8 27.2 22 26 A Q E -AB 6 32A 47 -16,-1.8 -17,-3.4 -2,-0.3 -16,-0.8 -0.969 30.1-168.2-112.1 114.9 37.4 25.0 30.7 23 27 A V E -AB 4 31A 17 8,-2.9 8,-2.8 -2,-0.6 2,-0.6 -0.887 21.3-125.4-111.8 137.8 34.5 23.7 32.8 24 28 A R E - B 0 30A 112 -21,-2.0 -22,-0.8 -2,-0.4 6,-0.3 -0.685 31.1-150.4 -83.2 120.0 34.3 23.1 36.5 25 29 A M > - 0 0 33 4,-3.0 3,-1.3 -2,-0.6 -22,-0.1 -0.312 27.3 -98.8 -85.1 169.5 33.3 19.5 37.3 26 30 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.901 120.5 56.8 -53.3 -48.9 31.4 18.0 40.3 27 31 A G T 3 S- 0 0 85 1,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.675 124.9-101.2 -60.2 -17.2 34.5 17.0 42.2 28 32 A G S < S+ 0 0 51 -3,-1.3 -1,-0.1 1,-0.3 -4,-0.0 0.284 83.8 125.9 111.4 -6.2 35.7 20.5 42.0 29 33 A G - 0 0 40 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.181 55.6-126.7 -78.7 174.2 38.1 20.0 39.2 30 34 A I E -B 24 0A 96 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.988 28.2-175.7-126.7 133.1 38.3 21.8 35.9 31 35 A V E -B 23 0A 46 -8,-2.8 -8,-2.9 -2,-0.4 2,-0.3 -0.896 31.0-103.1-132.1 159.1 38.3 20.1 32.5 32 36 A T E -B 22 0A 63 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.616 33.8-179.4 -77.8 132.0 38.6 20.8 28.7 33 37 A R E -B 21 0A 121 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.5 -0.908 10.4-161.1-135.8 101.7 35.2 20.8 27.0 34 38 A E E -B 20 0A 99 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.761 7.8-168.3 -91.5 129.5 35.6 21.4 23.3 35 39 A V E -B 19 0A 32 -16,-3.0 -16,-2.8 -2,-0.5 2,-0.8 -0.949 17.8-144.1-121.5 137.2 32.5 22.5 21.5 36 40 A V E -Bc 18 114A 25 77,-2.3 79,-1.8 -2,-0.4 80,-0.5 -0.892 21.2-144.7-100.0 110.2 31.8 22.8 17.7 37 41 A E E -B 17 0A 9 -20,-3.2 -20,-1.6 -2,-0.8 2,-0.3 -0.638 23.9-176.8 -77.3 128.1 29.7 25.8 17.1 38 42 A H E -B 16 0A 17 -2,-0.4 158,-0.4 -22,-0.2 159,-0.3 -0.922 37.1-126.7-128.5 150.5 27.2 25.2 14.2 39 43 A F - 0 0 38 -24,-0.9 2,-0.2 -2,-0.3 -1,-0.1 0.898 53.0-129.3 -58.3 -41.2 24.6 27.4 12.5 40 44 A G - 0 0 0 152,-0.1 35,-2.3 -3,-0.1 2,-0.3 -0.394 25.1-135.2 106.1 170.7 22.0 24.7 13.1 41 45 A A E -De 74 118B 8 76,-1.8 78,-1.7 33,-0.3 2,-0.3 -0.914 5.8-134.3-152.3 178.7 19.8 23.4 10.3 42 46 A V E -De 73 119B 0 31,-2.1 31,-2.0 -2,-0.3 2,-0.3 -0.968 14.9-165.9-138.2 151.6 16.3 22.4 9.3 43 47 A A E -De 72 120B 0 76,-2.4 78,-2.9 -2,-0.3 2,-0.4 -0.916 11.5-136.0-134.9 162.0 15.0 19.4 7.4 44 48 A I E - e 0 121B 0 27,-2.4 2,-0.9 -2,-0.3 78,-0.2 -0.973 12.8-167.4-131.0 130.3 11.7 18.6 5.7 45 49 A V E - e 0 122B 0 76,-3.4 78,-2.3 -2,-0.4 2,-1.0 -0.889 21.7-169.4-105.4 94.1 9.4 15.5 5.7 46 50 A A E - e 0 123B 0 -2,-0.9 2,-0.5 8,-0.3 78,-0.2 -0.790 4.9-166.5 -90.9 102.5 7.1 16.5 2.8 47 51 A M - 0 0 39 76,-1.8 78,-0.4 -2,-1.0 79,-0.3 -0.784 4.6-149.9 -94.9 129.3 4.3 14.0 2.9 48 52 A D > - 0 0 38 4,-2.9 3,-2.3 -2,-0.5 4,-0.1 -0.303 37.2 -84.1 -90.7 175.6 1.9 13.7 -0.1 49 53 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.587 126.6 45.8 -54.2 -13.7 -1.8 12.8 -0.4 50 54 A N T 3 S- 0 0 145 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.243 122.6 -94.5-116.1 13.0 -0.9 9.1 -0.4 51 55 A G S < S+ 0 0 26 -3,-2.3 97,-2.5 1,-0.3 2,-0.3 0.686 80.9 133.0 84.9 18.9 1.6 8.8 2.4 52 56 A N E -H 147 0C 42 95,-0.2 -4,-2.9 96,-0.1 -1,-0.3 -0.715 33.7-167.1-102.1 154.3 4.7 9.1 0.3 53 57 A I E -H 146 0C 0 93,-2.2 93,-2.7 -2,-0.3 2,-0.4 -0.971 20.3-116.0-138.7 153.8 7.7 11.4 1.0 54 58 A P E -H 145 0C 1 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.721 28.9-177.7 -93.0 137.4 10.8 12.6 -1.0 55 59 A M E -H 144 0C 0 89,-2.1 89,-2.2 -2,-0.4 2,-0.3 -0.943 15.8-138.1-129.8 152.8 14.3 11.7 0.0 56 60 A V E -HI 143 69C 0 13,-2.7 13,-3.1 -2,-0.3 2,-0.8 -0.852 7.0-140.4-112.3 148.3 17.6 12.7 -1.5 57 61 A Y E +HI 142 68C 82 85,-2.0 85,-1.2 -2,-0.3 2,-0.4 -0.891 36.5 175.2-106.1 99.5 20.7 10.5 -2.2 58 62 A Q E - I 0 67C 13 9,-2.3 9,-2.7 -2,-0.8 2,-0.3 -0.900 32.3-119.7-116.5 137.2 23.6 12.9 -1.3 59 63 A Y E - I 0 66C 68 -2,-0.4 2,-0.6 78,-0.4 7,-0.3 -0.525 24.2-161.2 -72.3 131.3 27.3 12.3 -1.1 60 64 A R E >>> - I 0 65C 72 5,-3.5 5,-1.6 -2,-0.3 4,-1.3 -0.957 9.4-161.3-117.5 111.4 28.8 12.9 2.3 61 65 A H T 345S+ 0 0 145 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.805 88.2 69.1 -60.4 -31.7 32.6 13.4 2.3 62 66 A T T 345S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.850 116.3 25.1 -55.9 -34.4 32.7 12.6 6.0 63 67 A Y T <45S- 0 0 161 -3,-1.2 -1,-0.2 2,-0.3 -2,-0.2 0.490 104.8-125.0-107.9 -7.8 31.8 9.0 5.2 64 68 A G T <5S+ 0 0 47 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.818 80.4 70.6 67.4 31.1 33.1 9.0 1.6 65 69 A R E S- 0 0 55 -3,-0.2 3,-2.8 3,-0.1 -1,-0.1 -0.835 79.9-134.0-109.2 92.0 21.3 33.0 6.0 78 82 A A T 3 S+ 0 0 106 -2,-0.8 -2,-0.1 1,-0.3 119,-0.0 -0.163 88.9 10.6 -45.6 126.6 21.6 35.6 8.8 79 83 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.171 91.6 131.2 88.4 -19.0 18.1 36.8 9.6 80 84 A E < - 0 0 29 -3,-2.8 -1,-0.3 1,-0.1 -3,-0.1 -0.532 61.5-120.3 -72.3 125.4 16.2 34.2 7.6 81 85 A P >> - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.389 20.2-121.5 -64.5 142.6 13.4 32.5 9.6 82 86 A P H 3> S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.855 111.2 52.2 -52.6 -44.1 13.8 28.7 10.0 83 87 A H H 3> S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.745 110.9 49.3 -69.5 -18.9 10.5 27.8 8.4 84 88 A L H <> S+ 0 0 85 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.862 107.8 52.9 -82.8 -38.7 11.5 30.0 5.4 85 89 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.894 111.4 49.8 -59.4 -38.5 14.8 28.3 5.3 86 90 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.971 112.0 43.7 -63.5 -57.7 12.8 25.1 5.2 87 91 A A H X S+ 0 0 35 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.884 114.6 51.6 -57.2 -41.1 10.4 26.1 2.4 88 92 A R H X S+ 0 0 42 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.956 113.8 42.6 -59.8 -52.4 13.3 27.5 0.4 89 93 A E H X S+ 0 0 13 -4,-2.3 4,-2.8 -5,-0.2 5,-0.4 0.813 108.9 57.7 -65.9 -34.5 15.4 24.4 0.6 90 94 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 6,-0.8 0.956 111.6 43.1 -61.5 -47.6 12.5 22.0 -0.0 91 95 A R H X S+ 0 0 73 -4,-1.9 4,-1.2 4,-0.3 -2,-0.2 0.916 116.9 46.2 -62.8 -47.5 11.8 23.8 -3.3 92 96 A E H < S+ 0 0 48 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 121.8 35.5 -64.7 -41.8 15.5 23.9 -4.3 93 97 A E H < S+ 0 0 4 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.889 138.4 11.0 -84.4 -43.3 16.3 20.3 -3.4 94 98 A V H < S- 0 0 9 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.199 96.2-119.4-121.0 16.5 13.1 18.3 -4.3 95 99 A G < + 0 0 9 -4,-1.2 34,-1.7 -5,-0.3 2,-0.3 0.850 65.7 137.6 48.8 46.0 11.3 21.0 -6.3 96 100 A L E -F 128 0B 5 -6,-0.8 2,-0.3 32,-0.2 32,-0.2 -0.851 39.1-164.2-123.3 158.5 8.3 21.1 -4.0 97 101 A Q E -F 127 0B 96 30,-2.2 30,-2.5 -2,-0.3 2,-0.4 -0.995 12.5-157.8-137.5 135.3 6.0 23.7 -2.4 98 102 A A E -F 126 0B 19 -2,-0.3 28,-0.2 28,-0.2 27,-0.2 -0.951 18.7-158.6-123.3 140.8 3.6 23.0 0.5 99 103 A S E S+ 0 0 101 26,-1.5 2,-0.4 25,-0.7 26,-0.2 0.578 84.0 51.0 -87.4 -11.0 0.5 24.8 1.7 100 104 A T E -F 124 0B 60 24,-1.9 24,-2.1 25,-0.0 2,-0.4 -0.992 61.7-178.4-133.3 133.1 0.7 23.4 5.2 101 105 A W E +F 123 0B 44 -2,-0.4 84,-0.4 22,-0.2 2,-0.3 -0.986 8.7 161.7-134.8 126.4 3.7 23.4 7.6 102 106 A Q E -F 122 0B 57 20,-1.9 20,-2.6 -2,-0.4 2,-0.5 -0.890 42.9 -97.9-134.4 164.5 3.9 21.9 11.1 103 107 A V E +FG 121 183B 0 80,-3.4 80,-1.7 -2,-0.3 18,-0.2 -0.740 36.1 175.0 -88.4 126.1 6.8 20.9 13.5 104 108 A L E - 0 0 13 16,-2.4 2,-0.3 -2,-0.5 17,-0.2 0.920 58.6 -26.9 -92.5 -63.2 7.6 17.2 13.4 105 109 A V E -F 120 0B 33 15,-1.6 15,-3.2 78,-0.0 2,-0.4 -0.986 45.7-146.6-157.4 145.2 10.7 16.7 15.6 106 110 A D E -F 119 0B 40 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.928 22.6-170.3-112.2 140.6 13.7 18.6 16.8 107 111 A L E -F 118 0B 23 11,-2.7 11,-3.0 -2,-0.4 2,-0.8 -0.991 25.7-142.6-136.5 143.7 17.0 16.7 17.4 108 112 A D - 0 0 66 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.925 25.4-158.5-102.2 106.2 20.3 17.6 18.9 109 113 A T S S+ 0 0 33 -2,-0.8 -1,-0.2 7,-0.5 8,-0.1 0.916 73.3 3.5 -52.6 -64.4 22.7 15.7 16.6 110 114 A A >> + 0 0 25 6,-0.4 4,-1.9 4,-0.1 3,-1.5 -0.681 64.5 175.1-131.7 79.3 25.9 15.2 18.5 111 115 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 72.5 71.8 -53.6 -31.0 25.4 16.5 22.1 112 116 A G T 34 S- 0 0 76 1,-0.2 3,-0.1 -77,-0.0 -2,-0.0 0.807 122.5 -2.5 -59.6 -32.0 28.8 15.3 23.1 113 117 A F T <4 S+ 0 0 124 -3,-1.5 -77,-2.3 1,-0.2 2,-0.3 0.396 118.8 57.8-144.8 6.5 30.8 17.9 21.2 114 118 A S B < -c 36 0A 18 -4,-1.9 -77,-0.2 -79,-0.3 -1,-0.2 -0.991 54.6-146.0-143.5 150.7 28.6 20.2 19.1 115 119 A D + 0 0 42 -79,-1.8 -78,-0.1 -2,-0.3 -1,-0.1 0.374 56.6 133.1 -93.2 2.4 25.7 22.7 19.7 116 120 A E + 0 0 38 -80,-0.5 -7,-0.5 -6,-0.2 -6,-0.4 -0.286 30.7 179.3 -57.3 137.2 24.1 21.9 16.4 117 121 A S - 0 0 0 -9,-0.2 -76,-1.8 -8,-0.1 2,-0.4 -0.968 11.4-153.7-136.7 146.5 20.4 21.3 16.7 118 122 A V E -eF 41 107B 0 -11,-3.0 -11,-2.7 -2,-0.3 2,-0.6 -0.989 4.0-152.3-131.4 130.4 18.1 20.5 13.8 119 123 A R E -eF 42 106B 9 -78,-1.7 -76,-2.4 -2,-0.4 2,-0.6 -0.883 11.8-156.7-102.5 124.9 14.3 21.1 13.4 120 124 A V E -eF 43 105B 0 -15,-3.2 -16,-2.4 -2,-0.6 -15,-1.6 -0.892 9.3-159.8-104.2 122.8 12.4 18.7 11.2 121 125 A Y E -eF 44 103B 4 -78,-2.9 -76,-3.4 -2,-0.6 2,-0.6 -0.649 14.3-138.1 -99.4 157.7 9.2 20.0 9.7 122 126 A L E -eF 45 102B 2 -20,-2.6 -20,-1.9 -2,-0.2 2,-0.5 -0.972 24.0-165.3-112.3 113.7 6.3 18.0 8.2 123 127 A A E +eF 46 101B 0 -78,-2.3 -76,-1.8 -2,-0.6 2,-0.2 -0.903 11.5 173.6-106.7 129.7 5.1 19.7 5.0 124 128 A T E + F 0 100B 28 -24,-2.1 -24,-1.9 -2,-0.5 -25,-0.7 -0.762 50.3 54.4-126.3 172.5 1.7 18.7 3.5 125 129 A G E S- 0 0 43 -78,-0.4 -26,-1.5 -2,-0.2 -1,-0.2 0.973 80.9-157.2 65.3 54.6 -0.5 19.9 0.7 126 130 A L E - F 0 98B 41 -79,-0.3 2,-0.4 -28,-0.2 -28,-0.2 -0.303 20.2-172.0 -73.3 147.0 2.3 19.5 -1.8 127 131 A R E - F 0 97B 184 -30,-2.5 -30,-2.2 -2,-0.1 2,-0.7 -0.996 24.2-126.7-136.7 136.8 2.7 21.2 -5.2 128 132 A E E + F 0 96B 161 -2,-0.4 2,-0.2 -32,-0.2 -32,-0.2 -0.787 41.5 162.8 -90.8 118.7 5.3 20.5 -7.8 129 133 A V - 0 0 58 -34,-1.7 -32,-0.0 -2,-0.7 -2,-0.0 -0.692 41.8 -62.1-125.4 176.9 7.1 23.7 -8.7 130 134 A G - 0 0 51 -2,-0.2 -1,-0.2 1,-0.0 -35,-0.1 -0.197 40.7-146.2 -63.7 154.6 10.4 24.5 -10.5 131 135 A R - 0 0 97 -36,-0.1 -39,-0.2 -37,-0.1 3,-0.1 -0.978 16.2-128.3-124.3 132.0 13.8 23.6 -9.1 132 136 A P - 0 0 63 0, 0.0 2,-0.6 0, 0.0 -1,-0.0 0.015 37.3 -79.7 -69.3 179.7 17.0 25.8 -9.6 133 137 A E - 0 0 170 1,-0.0 2,-0.1 0, 0.0 6,-0.1 -0.759 53.4-138.6 -85.6 121.2 20.4 24.8 -11.0 134 138 A A - 0 0 23 -2,-0.6 2,-0.3 4,-0.2 -1,-0.0 -0.420 12.2-152.4 -84.5 157.2 22.4 23.0 -8.2 135 139 A H > - 0 0 124 -2,-0.1 3,-1.6 4,-0.0 4,-0.4 -0.872 51.7 -22.0-124.5 155.2 26.0 23.4 -7.3 136 140 A H T >> S+ 0 0 169 -2,-0.3 3,-1.1 1,-0.3 4,-0.7 -0.114 129.8 5.8 52.2-132.1 28.6 21.0 -5.6 137 141 A E H >> S+ 0 0 70 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.802 134.3 54.5 -52.6 -33.0 27.2 18.1 -3.6 138 142 A E H <4 S+ 0 0 53 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.771 97.9 60.8 -75.3 -27.7 23.7 19.1 -4.7 139 143 A A H <4 S+ 0 0 68 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.623 111.3 43.1 -73.7 -12.5 24.5 19.0 -8.4 140 144 A D H << S+ 0 0 86 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.704 94.2 97.8-103.0 -27.5 25.4 15.3 -7.8 141 145 A M < - 0 0 15 -4,-1.2 -83,-0.2 -82,-0.1 2,-0.2 -0.288 49.5-170.0 -70.0 148.1 22.5 14.3 -5.6 142 146 A T E -H 57 0C 86 -85,-1.2 -85,-2.0 -2,-0.0 2,-0.3 -0.493 9.0-139.1-119.2-171.2 19.3 12.6 -6.8 143 147 A M E -H 56 0C 82 -87,-0.3 2,-0.3 -2,-0.2 -87,-0.2 -0.981 11.6-169.0-152.5 164.0 16.0 11.8 -5.2 144 148 A G E -H 55 0C 19 -89,-2.2 -89,-2.1 -2,-0.3 2,-0.4 -0.991 24.4-119.0-155.8 148.6 13.2 9.1 -4.8 145 149 A W E -H 54 0C 98 -2,-0.3 -93,-0.0 -91,-0.2 -2,-0.0 -0.768 31.7-172.4 -93.7 135.8 9.7 8.9 -3.4 146 150 A Y E -H 53 0C 33 -93,-2.7 -93,-2.2 -2,-0.4 2,-0.2 -0.974 29.2-119.5-131.6 139.1 9.1 6.4 -0.6 147 151 A P E >> -H 52 0C 66 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.582 37.2-120.6 -70.3 135.9 6.0 5.2 1.2 148 152 A I H 3> S+ 0 0 6 -97,-2.5 4,-2.4 1,-0.3 5,-0.1 0.849 111.7 53.9 -46.5 -41.1 6.5 6.2 4.8 149 153 A A H 3> S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.895 109.8 45.7 -63.9 -40.7 6.3 2.6 6.0 150 154 A E H <> S+ 0 0 62 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.891 111.8 52.3 -68.6 -38.0 9.0 1.4 3.6 151 155 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.896 110.0 49.8 -62.0 -40.6 11.1 4.4 4.6 152 156 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.899 110.7 48.7 -65.2 -42.1 10.6 3.3 8.2 153 157 A R H X S+ 0 0 118 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.872 106.2 57.6 -66.5 -35.0 11.6 -0.2 7.3 154 158 A R H ><>S+ 0 0 43 -4,-2.6 5,-2.4 1,-0.2 6,-1.1 0.872 105.8 50.6 -62.9 -35.6 14.7 1.1 5.5 155 159 A V H ><5S+ 0 0 16 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.955 110.2 48.0 -64.7 -50.8 15.8 2.8 8.7 156 160 A L H 3<5S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.486 111.8 52.6 -69.4 -2.7 15.4 -0.4 10.8 157 161 A R T <<5S- 0 0 123 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.306 116.6-111.0-114.3 3.5 17.3 -2.2 8.1 158 162 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.538 88.5 115.1 79.3 6.7 20.3 0.1 8.1 159 163 A E S - 0 0 24 -94,-0.6 4,-2.4 1,-0.2 3,-0.3 -0.456 63.6-137.9 -61.3 123.2 21.5 9.9 8.7 163 167 A S H > S+ 0 0 55 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.768 100.9 52.4 -55.4 -31.4 20.2 10.9 12.2 164 168 A I H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 112.0 45.1 -72.2 -42.2 18.0 13.7 10.8 165 169 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.845 111.9 52.8 -68.5 -36.5 16.3 11.4 8.3 166 170 A I H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.936 111.4 46.0 -64.1 -48.4 15.9 8.6 11.0 167 171 A A H X S+ 0 0 23 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.953 117.9 41.8 -59.9 -53.4 14.2 11.0 13.4 168 172 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.901 116.2 48.7 -63.7 -42.5 11.9 12.5 10.8 169 173 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.948 117.3 39.7 -64.3 -49.3 11.1 9.2 9.1 170 174 A L H X S+ 0 0 61 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.828 116.0 53.4 -70.5 -29.5 10.3 7.4 12.3 171 175 A A H X S+ 0 0 22 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.915 111.9 42.6 -70.5 -45.5 8.5 10.5 13.7 172 176 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.870 110.7 58.3 -69.4 -32.9 6.2 10.9 10.7 173 177 A H H X S+ 0 0 65 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.916 105.2 49.9 -60.2 -41.6 5.8 7.1 10.8 174 178 A A H <>S+ 0 0 24 -4,-1.8 5,-2.4 1,-0.2 6,-1.4 0.831 111.8 49.4 -64.7 -32.5 4.5 7.4 14.4 175 179 A V H ><5S+ 0 0 25 -4,-1.4 3,-1.6 4,-0.2 -2,-0.2 0.920 108.9 50.2 -73.7 -43.1 2.1 10.2 13.2 176 180 A T H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.671 107.9 54.6 -69.6 -17.1 0.8 8.2 10.2 177 181 A T T 3<5S- 0 0 83 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.263 118.8-113.2 -97.0 8.7 0.1 5.2 12.5 178 182 A G T < 5S+ 0 0 55 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.643 86.1 119.0 70.9 14.7 -2.0 7.5 14.7 179 183 A F S - 0 0 79 0, 0.0 3,-1.6 0, 0.0 -82,-0.1 -0.235 34.8-120.7 -59.8 146.2 2.4 24.1 15.6 185 189 A L T 3 S+ 0 0 62 -84,-0.4 -83,-0.1 1,-0.3 -102,-0.1 0.776 111.3 63.8 -60.8 -26.9 5.0 26.1 13.8 186 190 A D T 3 S+ 0 0 145 2,-0.0 -1,-0.3 -83,-0.0 2,-0.2 0.136 73.4 135.3 -84.7 21.4 5.4 28.4 16.9 187 191 A T < - 0 0 26 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.510 66.5-101.1 -70.3 137.2 6.6 25.4 18.9 188 192 A E - 0 0 153 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.348 25.2-153.6 -62.9 135.2 9.6 26.3 21.1 189 193 A W > - 0 0 32 1,-0.2 3,-1.1 -2,-0.1 -1,-0.1 -0.870 13.8-172.4-111.8 91.1 13.0 25.2 19.7 190 194 A I T 3 S+ 0 0 129 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.865 75.8 35.2 -51.9 -49.9 15.0 24.9 22.9 191 195 A D T 3 S+ 0 0 79 -73,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.105 72.0 149.3-100.4 22.1 18.4 24.3 21.5 192 196 A R < - 0 0 113 -3,-1.1 -152,-0.1 1,-0.1 -76,-0.1 -0.386 54.1-111.1 -58.1 122.3 18.5 26.3 18.3 193 197 A P + 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -77,-0.1 -0.149 47.6 159.3 -56.3 147.8 22.2 27.3 17.9 194 198 A T > + 0 0 100 -3,-0.1 4,-2.6 3,-0.1 5,-0.2 0.476 54.5 81.7-139.5 -30.4 23.2 31.0 18.3 195 199 A A H > S+ 0 0 28 2,-0.2 4,-0.9 1,-0.2 -156,-0.1 0.911 97.0 37.8 -49.1 -62.4 26.9 30.9 19.0 196 200 A F H >> S+ 0 0 19 -158,-0.4 3,-0.9 1,-0.2 4,-0.6 0.915 118.5 48.9 -61.7 -45.1 28.4 30.6 15.5 197 201 A A H >4 S+ 0 0 57 -159,-0.3 3,-0.7 1,-0.3 -1,-0.2 0.881 108.3 56.8 -61.1 -37.1 25.8 32.9 13.9 198 202 A A H 3< S+ 0 0 78 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.716 87.3 80.6 -66.3 -23.1 26.5 35.4 16.7 199 203 A R H << 0 0 92 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.896 360.0 360.0 -53.0 -45.7 30.2 35.4 15.7 200 204 A R << 0 0 282 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.513 360.0 360.0-112.6 360.0 29.7 37.8 12.9