==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-MAR-04 1VDH . COMPND 2 MOLECULE: MUCONOLACTONE ISOMERASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.EBIHARA,A.OKAMOTO,Y.KOUSUMI,H.YAMAMOTO,R.MASUI,N.UEYAMA, . 1235 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 917 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 326 26.4 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 . 5 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 . 70 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 0 10 5 0 0 4 1 2 3 1 3 1 0 0 0 0 0 0 5 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 10 10 5 0 9 11 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 0 0 5 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 3 A R 0 0 262 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 52.6 8.2 20.9 2 4 A H - 0 0 57 1,-0.0 1209,-0.2 2,-0.0 155,-0.0 -0.654 360.0-159.3 -83.6 130.3 53.6 5.3 18.7 3 5 A V - 0 0 78 -2,-0.4 2,-0.1 1207,-0.1 1207,-0.0 -0.940 16.4-135.0-111.0 113.9 57.3 4.4 18.6 4 6 A P - 0 0 47 0, 0.0 1206,-0.1 0, 0.0 153,-0.1 -0.430 17.8-172.3 -70.9 140.8 58.4 2.4 15.5 5 7 A E - 0 0 90 153,-0.3 3,-0.1 1204,-0.1 -2,-0.0 -0.656 21.0-156.0-130.2 71.4 60.6 -0.7 16.0 6 8 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 1200,-0.1 -0.154 22.8-103.4 -54.8 140.0 61.4 -1.5 12.4 7 9 A T - 0 0 12 1198,-0.1 2,-0.3 1,-0.1 108,-0.2 -0.407 35.4-121.7 -64.3 136.3 62.4 -5.1 11.6 8 10 A H E -A 114 0A 85 106,-2.3 106,-2.0 -2,-0.1 2,-0.3 -0.618 35.4-172.7 -80.6 141.8 66.2 -5.6 11.0 9 11 A T E -A 113 0A 39 -2,-0.3 2,-0.4 104,-0.2 104,-0.2 -0.950 23.7-156.4-138.4 157.5 67.2 -7.0 7.7 10 12 A L E -A 112 0A 41 102,-1.5 102,-2.1 -2,-0.3 2,-0.4 -1.000 21.8-146.0-129.9 125.4 70.3 -8.2 5.8 11 13 A E E +A 111 0A 42 -2,-0.4 100,-0.2 100,-0.2 3,-0.1 -0.784 23.2 166.1 -98.0 141.6 70.2 -8.1 2.0 12 14 A G E - 0 0 18 98,-2.5 119,-0.2 1,-0.4 118,-0.1 -0.027 49.5 -4.9-120.5-135.6 71.8 -10.7 -0.3 13 15 A W E - 0 0 15 117,-2.6 97,-3.1 96,-0.1 -1,-0.4 -0.245 68.8-116.9 -63.5 148.9 71.6 -11.5 -4.0 14 16 A H E -AB 109 78A 10 64,-3.7 64,-2.2 95,-0.2 2,-0.4 -0.619 33.0-148.5 -83.9 148.2 69.0 -9.6 -6.1 15 17 A V E -AB 108 77A 1 93,-4.1 93,-2.5 -2,-0.2 2,-0.4 -0.968 16.1-170.6-128.3 138.2 66.4 -11.8 -7.7 16 18 A L E -AB 107 76A 5 60,-2.9 60,-2.1 -2,-0.4 2,-0.6 -0.985 5.6-164.5-128.9 121.2 64.4 -11.8 -10.9 17 19 A H E -AB 106 75A 0 89,-2.6 89,-1.7 -2,-0.4 2,-0.6 -0.935 11.5-172.4-100.4 121.0 61.5 -14.1 -11.6 18 20 A D E -AB 105 74A 4 56,-1.7 56,-2.9 -2,-0.6 2,-0.5 -0.901 1.9-173.3-121.0 99.2 60.8 -13.9 -15.4 19 21 A F E +AB 104 73A 1 85,-2.2 84,-2.1 -2,-0.6 85,-1.4 -0.815 8.6 175.6 -94.5 131.3 57.6 -15.7 -16.3 20 22 A R E -AB 102 72A 7 52,-2.8 51,-2.8 -2,-0.5 52,-2.5 -0.929 25.1-133.1-136.0 155.0 56.7 -16.2 -20.0 21 23 A L E -A 101 0A 61 80,-3.3 80,-2.1 -2,-0.3 2,-0.4 -0.881 23.5-129.9-106.5 139.6 54.1 -17.9 -22.1 22 24 A L E -A 100 0A 11 -2,-0.4 2,-1.7 78,-0.2 78,-0.2 -0.736 8.2-136.6 -92.4 132.0 55.1 -20.0 -25.1 23 25 A D > - 0 0 73 76,-3.0 4,-2.6 -2,-0.4 5,-0.2 -0.709 28.8-178.0 -84.6 86.3 53.3 -19.4 -28.4 24 26 A F H > S+ 0 0 21 -2,-1.7 4,-2.8 1,-0.2 5,-0.3 0.910 74.7 52.8 -52.0 -51.6 52.9 -23.1 -29.1 25 27 A A H > S+ 0 0 28 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.908 114.8 40.7 -53.7 -49.0 51.3 -22.7 -32.5 26 28 A R H > S+ 0 0 121 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.897 117.5 47.4 -69.2 -42.4 54.1 -20.4 -33.9 27 29 A W H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.954 115.1 42.5 -64.8 -53.1 56.9 -22.4 -32.3 28 30 A F H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.595 117.1 48.8 -72.4 -9.8 55.9 -25.9 -33.4 29 31 A S H 3< S+ 0 0 68 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.471 89.2 106.9-104.2 -7.7 54.9 -24.6 -36.9 30 32 A A S << S- 0 0 15 -3,-0.9 5,-0.1 -4,-0.7 -3,-0.0 -0.344 86.4 -83.1 -71.5 152.5 58.2 -22.7 -37.5 31 33 A P > - 0 0 93 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.240 37.3-121.2 -55.7 142.3 60.8 -24.1 -39.9 32 34 A L H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 113.1 52.5 -54.8 -38.6 63.0 -26.8 -38.3 33 35 A E H > S+ 0 0 146 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 107.5 51.5 -66.0 -40.0 66.2 -24.7 -39.1 34 36 A A H > S+ 0 0 33 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.919 111.6 47.3 -62.1 -44.1 64.6 -21.6 -37.3 35 37 A R H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.935 113.1 47.9 -63.4 -46.3 63.8 -23.7 -34.2 36 38 A E H X S+ 0 0 64 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.900 111.9 50.1 -61.7 -42.8 67.3 -25.2 -34.2 37 39 A D H X S+ 0 0 94 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.904 111.9 47.3 -62.4 -43.0 69.0 -21.8 -34.6 38 40 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 58,-0.3 0.906 112.3 51.5 -64.9 -40.3 66.9 -20.3 -31.8 39 41 A W H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.920 108.7 49.3 -62.0 -47.9 67.8 -23.4 -29.6 40 42 A E H X S+ 0 0 100 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.909 112.6 47.8 -60.0 -43.6 71.5 -23.0 -30.2 41 43 A E H X S+ 0 0 97 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.876 110.2 52.6 -65.2 -39.0 71.4 -19.3 -29.3 42 44 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.920 106.7 52.7 -63.6 -42.7 69.4 -20.1 -26.2 43 45 A K H X S+ 0 0 47 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.886 106.2 54.5 -59.7 -39.6 71.9 -22.7 -25.0 44 46 A G H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.904 110.3 45.8 -61.0 -42.0 74.7 -20.1 -25.5 45 47 A L H X S+ 0 0 6 -4,-1.7 4,-1.5 2,-0.2 3,-0.4 0.943 113.4 47.7 -65.6 -48.9 72.8 -17.6 -23.2 46 48 A V H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.805 106.3 60.0 -62.3 -30.2 72.0 -20.3 -20.6 47 49 A R H X S+ 0 0 137 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.889 101.5 53.6 -65.3 -38.4 75.7 -21.3 -20.7 48 50 A E H X S+ 0 0 73 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.909 109.5 47.2 -62.2 -43.0 76.7 -17.8 -19.7 49 51 A W H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.903 111.7 52.3 -65.1 -39.3 74.4 -18.1 -16.6 50 52 A R H X S+ 0 0 74 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 110.1 46.6 -61.4 -49.6 75.9 -21.5 -15.9 51 53 A E H X S+ 0 0 108 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.880 111.7 51.9 -61.5 -38.5 79.5 -20.2 -16.0 52 54 A L H <>S+ 0 0 45 -4,-2.1 5,-2.8 2,-0.2 6,-0.3 0.885 110.3 48.9 -65.6 -37.9 78.5 -17.3 -13.8 53 55 A E H ><5S+ 0 0 32 -4,-2.2 3,-1.5 1,-0.2 5,-0.3 0.914 109.1 52.0 -69.0 -41.9 76.9 -19.7 -11.3 54 56 A E H 3<5S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 108.3 52.9 -63.5 -30.3 80.1 -21.9 -11.4 55 57 A A T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.474 117.4-115.3 -83.3 -2.6 82.1 -18.7 -10.6 56 58 A G T < 5S+ 0 0 26 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.682 82.5 122.4 76.0 19.1 79.9 -17.9 -7.6 57 59 A Q S S- 0 0 0 1,-0.2 3,-0.5 2,-0.1 -2,-0.1 -0.157 97.9 -60.4 92.4-179.9 48.5 -23.6 -16.1 68 70 A H T 3 S+ 0 0 50 1,-0.2 -1,-0.2 -47,-0.0 3,-0.1 0.578 112.7 79.0 -82.1 -11.5 47.6 -20.5 -18.1 69 71 A K T 3 S- 0 0 27 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.780 113.1 -24.3 -70.0 -26.8 49.6 -18.1 -15.9 70 72 A A < - 0 0 0 -3,-0.5 -49,-0.2 -4,-0.2 -1,-0.2 -0.924 41.3-156.2-176.4 158.2 53.0 -19.0 -17.4 71 73 A D S S+ 0 0 11 -51,-2.8 -6,-2.4 1,-0.4 2,-0.4 0.670 83.9 29.5-114.3 -36.4 54.7 -21.8 -19.3 72 74 A L E -BC 20 64A 0 -52,-2.5 -52,-2.8 -8,-0.2 2,-0.5 -0.992 61.7-159.5-132.3 135.6 58.4 -21.1 -18.6 73 75 A L E -BC 19 63A 1 -10,-1.9 -10,-2.2 -2,-0.4 2,-0.7 -0.974 2.6-164.2-113.4 125.1 60.0 -19.4 -15.5 74 76 A F E -BC 18 62A 2 -56,-2.9 -56,-1.7 -2,-0.5 2,-0.5 -0.939 14.5-170.5-109.5 103.3 63.5 -18.0 -15.9 75 77 A L E +BC 17 61A 2 -14,-2.9 -14,-2.0 -2,-0.7 2,-0.4 -0.874 8.3 173.8-100.3 128.0 64.8 -17.5 -12.4 76 78 A N E -BC 16 60A 7 -60,-2.1 -60,-2.9 -2,-0.5 2,-0.4 -0.994 15.5-168.1-137.8 140.1 68.0 -15.6 -11.9 77 79 A L E +BC 15 59A 6 -18,-2.7 -18,-1.7 -2,-0.4 -62,-0.2 -0.987 17.7 164.6-126.0 135.6 69.9 -14.3 -8.9 78 80 A R E -B 14 0A 4 -64,-2.2 -64,-3.7 -2,-0.4 -20,-0.2 -0.941 50.8-102.1-145.5 164.9 72.8 -11.8 -9.1 79 81 A P S S- 0 0 73 0, 0.0 2,-0.3 0, 0.0 -21,-0.1 0.538 100.8 -0.5 -67.5 -6.4 74.9 -9.5 -6.8 80 82 A G S > S- 0 0 15 -66,-0.2 4,-0.6 1,-0.1 -66,-0.1 -0.963 79.4 -90.8-165.9-179.1 72.9 -6.5 -8.2 81 83 A L H >> S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 0.882 110.3 65.8 -73.6 -39.2 70.2 -5.2 -10.5 82 84 A D H 3> S+ 0 0 63 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.891 100.2 48.2 -51.7 -50.4 72.5 -4.5 -13.5 83 85 A P H 3> S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.815 113.3 50.8 -63.0 -27.4 73.3 -8.2 -14.1 84 86 A L H < S+ 0 0 1 -4,-2.0 3,-1.1 1,-0.2 6,-0.5 0.941 111.2 52.6 -66.3 -45.3 66.6 -13.3 -23.2 92 94 A S H 3< S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.791 109.9 47.5 -62.3 -30.3 64.2 -10.8 -24.6 93 95 A R H 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.559 89.7 108.3 -89.3 -5.7 66.3 -10.1 -27.7 94 96 A S S << S- 0 0 4 -3,-1.1 3,-0.4 -4,-0.6 4,-0.4 -0.290 80.3-120.0 -68.7 154.6 67.0 -13.8 -28.4 95 97 A A S > S+ 0 0 27 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.858 114.3 60.6 -62.5 -33.7 65.3 -15.4 -31.4 96 98 A F G > S+ 0 0 0 -58,-0.3 3,-2.1 1,-0.3 -1,-0.2 0.881 94.8 62.1 -61.5 -37.8 63.6 -17.8 -29.0 97 99 A A G > S+ 0 0 9 -6,-0.5 3,-1.6 -3,-0.4 -1,-0.3 0.614 84.4 76.3 -64.1 -14.7 61.8 -14.9 -27.3 98 100 A R G < S+ 0 0 75 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.735 98.8 46.6 -67.3 -19.9 60.1 -14.1 -30.6 99 101 A Y G < S+ 0 0 26 -3,-2.1 -76,-3.0 -4,-0.3 2,-0.3 0.186 105.3 82.3-104.2 13.0 57.9 -17.1 -29.6 100 102 A L E < -A 22 0A 24 -3,-1.6 2,-0.4 -78,-0.2 -78,-0.2 -0.894 56.3-161.1-122.0 151.7 57.4 -15.9 -26.0 101 103 A G E -A 21 0A 34 -80,-2.1 -80,-3.3 -2,-0.3 2,-0.4 -0.993 28.0-120.1-127.9 133.0 55.1 -13.4 -24.3 102 104 A R E +A 20 0A 57 -2,-0.4 -82,-0.3 -82,-0.2 3,-0.1 -0.625 36.3 169.1 -74.5 125.8 55.9 -12.0 -20.8 103 105 A S E - 0 0 36 -84,-2.1 2,-0.3 -2,-0.4 -83,-0.2 0.724 60.3 -12.3-108.2 -30.3 53.1 -13.0 -18.5 104 106 A Y E +A 19 0A 37 -85,-1.4 -85,-2.2 2,-0.0 -1,-0.4 -0.972 57.4 178.8-163.8 163.3 54.4 -12.0 -15.0 105 107 A S E -A 18 0A 1 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.974 10.2-156.9-164.0 165.8 57.6 -11.0 -13.3 106 108 A F E -A 17 0A 0 -89,-1.7 -89,-2.6 -2,-0.3 2,-0.5 -0.943 3.2-159.7-156.9 128.5 59.0 -10.1 -9.9 107 109 A Y E +A 16 0A 2 -2,-0.3 2,-0.3 -91,-0.2 -91,-0.2 -0.966 32.7 142.5-111.9 124.5 62.1 -8.1 -8.8 108 110 A S E -A 15 0A 0 -93,-2.5 -93,-4.1 -2,-0.5 2,-0.4 -0.910 42.4-121.2-150.8 175.3 63.3 -8.6 -5.3 109 111 A V E -AE 14 187A 0 78,-2.2 78,-3.3 -95,-0.3 -95,-0.2 -0.994 38.0-103.7-129.8 126.8 66.3 -9.0 -3.0 110 112 A V E - E 0 186A 2 -97,-3.1 -98,-2.5 -2,-0.4 2,-0.4 -0.230 48.1-164.9 -48.2 124.5 67.2 -12.0 -0.8 111 113 A E E -A 11 0A 12 74,-2.3 2,-0.5 -100,-0.2 74,-0.2 -0.974 23.1-168.5-127.3 133.4 66.2 -10.9 2.7 112 114 A L E -A 10 0A 24 -102,-2.1 -102,-1.5 -2,-0.4 2,-0.3 -0.982 24.4-167.4-116.7 117.9 67.1 -12.3 6.1 113 115 A G E -A 9 0A 42 -2,-0.5 2,-0.3 -104,-0.2 -104,-0.2 -0.786 20.4-175.4-114.5 158.4 65.0 -10.7 8.9 114 116 A S E -A 8 0A 23 -106,-2.0 -106,-2.3 -2,-0.3 5,-0.1 -0.970 15.3-154.3-146.9 127.5 64.9 -10.4 12.7 115 117 A Q S S- 0 0 22 -2,-0.3 49,-0.1 -108,-0.2 48,-0.1 0.823 85.9 -0.7 -73.5 -34.4 62.2 -8.7 14.7 116 118 A E S S+ 0 0 95 1,-0.3 -2,-0.1 -109,-0.1 45,-0.1 0.646 121.3 44.8-119.1 -82.0 64.3 -7.9 17.8 117 119 A K S S- 0 0 175 1,-0.1 -1,-0.3 -109,-0.0 -2,-0.1 -0.626 86.8-113.6 -77.5 122.1 68.0 -8.9 18.1 118 120 A P - 0 0 86 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.123 33.3-109.1 -53.0 142.2 70.0 -8.2 14.9 119 121 A L - 0 0 61 -7,-0.1 -5,-0.1 -5,-0.1 -110,-0.0 -0.449 25.3-114.3 -75.3 148.8 71.3 -11.2 13.0 120 122 A D > - 0 0 96 1,-0.2 3,-1.7 -2,-0.1 7,-0.3 -0.758 21.4-158.9 -84.3 108.6 75.0 -12.0 12.9 121 123 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.633 91.8 53.8 -64.0 -11.3 76.0 -11.5 9.2 122 124 A E T 3 S+ 0 0 116 4,-0.1 -2,-0.0 5,-0.1 -3,-0.0 0.477 78.5 118.8-100.9 -7.2 79.0 -13.7 9.9 123 125 A S X> - 0 0 24 -3,-1.7 4,-2.5 1,-0.1 3,-1.8 -0.364 68.4-132.2 -61.9 137.0 77.1 -16.7 11.3 124 126 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.593 109.7 50.9 -66.7 -9.5 77.6 -19.9 9.2 125 127 A Y T 34 S+ 0 0 190 2,-0.1 -2,-0.1 3,-0.1 -3,-0.0 0.306 118.3 36.4-109.1 6.9 73.8 -20.3 9.3 126 128 A V T X4 S+ 0 0 16 -3,-1.8 3,-1.1 -6,-0.1 4,-0.5 0.678 109.5 54.8-119.1 -57.6 73.1 -16.7 8.2 127 129 A K G >X S+ 0 0 107 -4,-2.5 3,-1.8 -7,-0.3 4,-0.6 0.871 104.0 54.6 -50.5 -48.2 75.7 -15.8 5.6 128 130 A P G >4 S+ 0 0 73 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.813 101.0 61.4 -60.1 -27.9 75.1 -18.7 3.2 129 131 A R G <4 S+ 0 0 136 -3,-1.1 -2,-0.2 1,-0.2 -117,-0.1 0.621 90.3 68.9 -73.8 -11.9 71.4 -17.8 3.0 130 132 A L G <4 S+ 0 0 29 -3,-1.8 -117,-2.6 -4,-0.5 -1,-0.2 0.796 109.3 34.6 -74.8 -27.4 72.3 -14.4 1.5 131 133 A T S << S- 0 0 42 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.1 -0.473 83.7-178.3-127.0 64.1 73.5 -16.1 -1.7 132 134 A P - 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H 0 226A 24 80,-2.3 80,-1.8 -2,-0.3 2,-0.6 -0.826 29.1-113.4-125.2 166.3 52.4 -8.6 2.0 147 149 A K E - H 0 225A 23 -2,-0.3 78,-0.2 78,-0.2 9,-0.2 -0.926 48.4-106.0-103.9 123.2 51.9 -8.3 5.7 148 150 A R - 0 0 10 76,-2.9 7,-2.8 -2,-0.6 8,-0.4 -0.142 33.6-178.0 -54.9 141.6 48.4 -7.1 6.4 149 151 A R E +J 154 0B 26 5,-0.3 2,-0.4 6,-0.1 5,-0.3 -0.579 38.9 128.7-136.2 62.8 47.6 -3.5 7.5 150 152 A Q E > S-J 153 0B 61 3,-2.6 3,-2.6 249,-0.0 249,-0.1 -0.975 73.5 -62.2-129.8 121.9 43.8 -3.7 7.9 151 153 A G T 3 S- 0 0 50 -2,-0.4 3,-0.0 1,-0.3 991,-0.0 -0.178 122.0 -3.7 48.5-122.4 41.8 -2.7 11.0 152 154 A Q T 3 S+ 0 0 174 1,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.567 126.9 73.1 -76.2 -14.1 42.8 -4.7 14.0 153 155 A D E < +J 150 0B 12 -3,-2.6 -3,-2.6 70,-0.0 2,-0.6 -0.696 61.0 143.5-101.8 74.6 45.1 -6.9 11.9 154 156 A N E >> -J 149 0B 10 -2,-0.9 3,-1.0 -5,-0.3 4,-0.7 -0.863 26.5-176.3-119.4 97.5 47.9 -4.4 11.4 155 157 A W G >4 S+ 0 0 3 -7,-2.8 3,-1.1 -2,-0.6 -1,-0.2 0.884 82.1 55.3 -56.0 -46.3 51.3 -6.1 11.4 156 158 A Y G 34 S+ 0 0 1 -8,-0.4 -1,-0.2 1,-0.2 1058,-0.1 0.638 104.7 53.4 -67.2 -15.8 53.3 -2.8 11.0 157 159 A M G <4 S+ 0 0 44 -3,-1.0 -1,-0.2 1057,-0.1 -2,-0.2 0.585 87.6 105.4 -93.6 -12.3 51.7 -1.3 14.1 158 160 A L S << S- 0 0 30 -3,-1.1 -153,-0.3 -4,-0.7 2,-0.1 -0.236 81.0-101.9 -68.3 153.0 52.5 -4.2 16.4 159 161 A P >> - 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0 0 68 -24,-0.3 3,-1.7 -65,-0.1 4,-0.5 -0.961 69.3-152.1-139.5 117.7 57.3 -33.2 -4.4 205 207 A P H >> S+ 0 0 6 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.763 95.2 71.0 -60.1 -22.7 54.8 -30.4 -5.2 206 208 A V H 3> S+ 0 0 17 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.828 87.5 64.1 -64.1 -28.7 52.5 -31.8 -2.6 207 209 A Q H <> S+ 0 0 42 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.864 98.3 54.5 -62.9 -33.5 54.9 -30.7 0.1 208 210 A F H < S+ 0 0 8 -4,-2.0 3,-0.5 -5,-0.3 4,-0.4 0.943 114.9 46.5 -67.6 -48.7 48.0 -25.0 4.2 214 216 A E H >< S+ 0 0 38 -4,-2.6 3,-1.6 -5,-0.3 4,-0.2 0.929 110.4 54.2 -60.8 -42.3 49.4 -25.9 7.6 215 217 A M H >< S+ 0 0 13 -4,-2.6 3,-1.7 1,-0.3 6,-0.4 0.760 92.9 70.9 -62.9 -26.8 51.1 -22.5 8.0 216 218 A R T << S+ 0 0 15 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.713 92.1 60.0 -65.3 -16.5 47.9 -20.6 7.3 217 219 A F T < S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.4 2,-0.2 0.566 82.0 97.7 -86.2 -10.4 46.7 -21.8 10.8 218 220 A D S X> S- 0 0 3 -3,-1.7 4,-3.0 -4,-0.2 3,-0.8 -0.599 85.9-122.5 -74.5 141.0 49.6 -20.0 12.5 219 221 A E H 3>>S+ 0 0 29 1,-0.2 4,-2.7 -2,-0.2 5,-0.7 0.873 109.5 61.1 -54.0 -39.6 48.4 -16.6 13.8 220 222 A V H 3>5S+ 0 0 3 -54,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.890 116.5 31.1 -55.9 -40.8 51.0 -14.7 11.8 221 223 A S H <>5S+ 0 0 10 -3,-0.8 4,-1.9 -6,-0.4 -2,-0.2 0.917 117.7 54.4 -83.5 -47.2 49.6 -16.1 8.5 222 224 A A H <5S+ 0 0 0 -4,-3.0 -2,-0.2 -7,-0.3 -3,-0.2 0.878 125.7 22.1 -54.6 -42.9 45.9 -16.4 9.6 223 225 A R H <5S+ 0 0 60 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.780 136.9 27.3 -97.5 -32.0 45.7 -12.7 10.6 224 226 A Y H < - 0 0 93 -2,-0.5 4,-2.5 -176,-0.1 5,-0.3 -0.287 48.3 -82.7 -82.8-176.6 67.8 -29.4 -17.2 238 240 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 131.2 44.8 -55.3 -48.0 69.1 -28.9 -20.8 239 241 A E H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 112.3 52.4 -64.5 -39.3 67.7 -32.2 -22.1 240 242 A A H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 110.9 46.7 -63.5 -44.0 64.3 -31.6 -20.4 241 243 A L H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.908 112.2 51.5 -64.4 -40.9 64.0 -28.1 -22.0 242 244 A R H <>S+ 0 0 84 -4,-2.2 5,-2.7 -5,-0.3 -2,-0.2 0.934 111.2 47.0 -60.4 -46.6 65.0 -29.5 -25.3 243 245 A A H ><5S+ 0 0 65 -4,-2.6 3,-1.5 4,-0.3 -1,-0.2 0.881 108.7 54.9 -62.4 -41.9 62.3 -32.2 -25.1 244 246 A F H 3<5S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 107.8 49.9 -59.4 -38.7 59.7 -29.7 -24.0 245 247 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.388 119.8-112.3 -82.8 4.1 60.4 -27.6 -27.1 246 248 A G T < 5 0 0 29 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.768 360.0 360.0 71.6 26.6 60.1 -30.7 -29.3 247 249 A L < 0 0 53 -5,-2.7 -4,-0.3 -6,-0.2 -5,-0.1 0.378 360.0 360.0-113.5 360.0 63.8 -30.9 -30.2 248 !* 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 0.0 249 3 B R 0 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.6 49.0 -17.7 23.1 250 4 B H - 0 0 60 1,-0.0 -31,-0.2 0, 0.0 155,-0.0 -0.510 360.0-154.3 -70.6 124.4 47.1 -19.0 20.1 251 5 B V - 0 0 104 -2,-0.3 2,-0.2 -33,-0.1 -1,-0.0 -0.893 14.9-135.3-101.9 115.2 47.5 -22.8 19.6 252 6 B P - 0 0 42 0, 0.0 -34,-0.1 0, 0.0 153,-0.1 -0.481 17.1-170.4 -72.8 142.0 47.1 -23.8 16.0 253 7 B E - 0 0 101 153,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.662 20.8-154.9-129.5 70.8 45.0 -26.9 15.2 254 8 B P - 0 0 30 0, 0.0 -40,-0.1 0, 0.0 2,-0.1 -0.158 22.0-106.8 -51.4 137.6 45.8 -27.4 11.5 255 9 B T - 0 0 11 -42,-0.2 2,-0.3 1,-0.1 108,-0.2 -0.413 34.2-126.3 -66.5 138.0 43.1 -29.2 9.5 256 10 B H E -K 362 0C 72 106,-2.7 106,-2.3 109,-0.1 2,-0.3 -0.675 33.8-178.9 -87.4 145.0 44.2 -32.8 8.6 257 11 B T E -K 361 0C 19 -2,-0.3 2,-0.4 104,-0.2 104,-0.2 -0.968 25.4-151.8-143.9 160.7 44.1 -33.8 4.9 258 12 B L E -K 360 0C 33 102,-1.6 102,-2.3 -2,-0.3 2,-0.4 -0.982 21.8-143.7-128.8 136.1 44.8 -36.7 2.5 259 13 B E E +K 359 0C 40 -2,-0.4 100,-0.2 100,-0.2 3,-0.1 -0.871 22.8 169.3-105.4 140.3 45.8 -36.0 -1.1 260 14 B G E - 0 0 16 98,-2.6 119,-0.2 1,-0.4 118,-0.1 0.036 51.1 -6.4-116.1-134.8 44.6 -38.1 -4.0 261 15 B W E S- 0 0 15 117,-2.3 97,-2.9 96,-0.1 -1,-0.4 -0.299 70.9-117.0 -63.9 146.2 44.9 -37.6 -7.8 262 16 B H E -KL 357 326C 10 64,-3.4 64,-2.0 95,-0.2 2,-0.4 -0.568 32.1-145.6 -81.8 151.8 46.2 -34.2 -9.0 263 17 B V E -KL 356 325C 1 93,-4.2 93,-2.4 62,-0.2 2,-0.4 -0.960 17.1-171.7-128.8 139.3 43.8 -32.1 -11.1 264 18 B L E -KL 355 324C 2 60,-2.6 60,-2.1 -2,-0.4 2,-0.6 -0.984 5.6-165.5-130.6 118.8 44.1 -29.8 -14.0 265 19 B H E -KL 354 323C 0 89,-2.5 89,-1.9 -2,-0.4 2,-0.6 -0.939 11.7-171.4 -99.6 119.7 41.2 -27.6 -15.3 266 20 B D E -KL 353 322C 3 56,-1.8 56,-2.5 -2,-0.6 2,-0.4 -0.887 2.6-172.5-118.5 97.6 42.2 -26.4 -18.7 267 21 B F E +KL 352 321C 0 85,-2.2 84,-2.1 -2,-0.6 85,-1.4 -0.775 9.1 173.4 -93.2 131.8 39.7 -23.8 -20.0 268 22 B R E -KL 350 320C 10 52,-2.5 51,-2.7 -2,-0.4 52,-2.5 -0.962 26.4-134.3-139.9 152.2 40.1 -22.5 -23.6 269 23 B L E -K 349 0C 60 80,-3.0 80,-1.9 -2,-0.3 2,-0.4 -0.864 24.7-129.0-103.5 139.4 38.2 -20.3 -26.0 270 24 B L E -K 348 0C 10 -2,-0.4 2,-1.6 78,-0.2 78,-0.2 -0.727 8.7-135.2 -91.1 134.0 37.6 -21.4 -29.6 271 25 B D > - 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0 0 0 -3,-0.6 -49,-0.2 -4,-0.2 -1,-0.2 -0.943 40.9-154.1-174.3 161.5 35.5 -20.3 -21.9 319 73 B D S S+ 0 0 11 -51,-2.7 -6,-2.1 1,-0.3 2,-0.4 0.640 84.0 29.7-116.6 -32.0 34.2 -22.6 -24.7 320 74 B L E -LM 268 312C 0 -52,-2.5 -52,-2.5 -8,-0.2 2,-0.5 -0.996 60.2-158.8-137.6 131.2 35.9 -25.9 -23.9 321 75 B L E -LM 267 311C 2 -10,-2.1 -10,-2.0 -2,-0.4 2,-0.7 -0.948 3.6-165.5-109.0 121.5 37.0 -27.4 -20.6 322 76 B F E -LM 266 310C 2 -56,-2.5 -56,-1.8 -2,-0.5 2,-0.5 -0.939 15.1-171.2-105.6 103.6 39.6 -30.1 -20.8 323 77 B L E +LM 265 309C 1 -14,-3.4 -14,-2.1 -2,-0.7 2,-0.4 -0.896 8.0 173.5-102.5 125.5 39.5 -31.7 -17.3 324 78 B N E -LM 264 308C 5 -60,-2.1 -60,-2.6 -2,-0.5 2,-0.4 -0.988 16.0-167.0-135.0 142.4 42.2 -34.2 -16.4 325 79 B L E +LM 263 307C 8 -18,-2.8 -18,-1.6 -2,-0.4 -62,-0.2 -0.980 17.9 165.1-126.6 137.0 43.2 -36.1 -13.2 326 80 B R E -L 262 0C 3 -64,-2.0 -64,-3.4 -2,-0.4 -20,-0.2 -0.941 50.2-100.3-145.8 166.3 46.5 -38.0 -12.8 327 81 B P S S- 0 0 64 0, 0.0 2,-0.3 0, 0.0 -21,-0.1 0.575 100.6 -4.4 -67.3 -10.0 48.6 -39.5 -10.0 328 82 B G S > S- 0 0 14 -66,-0.1 4,-0.7 1,-0.1 -66,-0.1 -0.956 80.1 -88.5-166.5-179.9 51.0 -36.5 -10.0 329 83 B L H > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.872 112.0 64.8 -71.2 -40.8 51.9 -33.2 -11.7 330 84 B D H > S+ 0 0 62 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.901 101.9 48.0 -51.0 -49.2 54.2 -34.6 -14.3 331 85 B P H > S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.837 113.4 49.9 -62.9 -30.7 51.4 -36.6 -16.1 332 86 B L H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.896 108.3 50.9 -72.0 -42.4 49.3 -33.4 -16.0 333 87 B L H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.892 111.7 51.0 -59.5 -38.4 52.1 -31.3 -17.4 334 88 B E H X S+ 0 0 88 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.959 110.7 45.2 -63.3 -54.3 52.4 -34.0 -20.2 335 89 B A H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.869 116.3 48.1 -58.0 -40.2 48.6 -33.9 -21.0 336 90 B E H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.920 112.4 46.8 -68.0 -46.9 48.7 -30.1 -21.0 337 91 B A H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.908 112.1 50.9 -63.4 -42.6 51.8 -29.8 -23.2 338 92 B R H < S+ 0 0 108 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.870 111.8 46.9 -64.6 -37.1 50.5 -32.3 -25.7 339 93 B L H >< S+ 0 0 1 -4,-1.6 3,-1.3 -5,-0.2 6,-0.5 0.937 110.9 53.0 -68.6 -45.0 47.1 -30.6 -26.0 340 94 B S H 3< S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.785 109.9 47.1 -61.5 -30.0 48.9 -27.2 -26.4 341 95 B R T 3< S+ 0 0 109 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.495 89.5 112.4 -91.6 -1.9 51.1 -28.4 -29.2 342 96 B S S < S- 0 0 2 -3,-1.3 4,-0.5 -4,-0.4 -56,-0.1 -0.260 78.0-121.0 -68.2 156.7 48.2 -30.1 -31.1 343 97 B A S > S+ 0 0 22 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.861 114.7 58.9 -65.0 -34.9 47.0 -28.6 -34.5 344 98 B F G > S+ 0 0 0 -58,-0.3 3,-2.3 1,-0.3 -1,-0.2 0.914 95.8 62.1 -61.2 -40.3 43.6 -28.1 -32.9 345 99 B A G > S+ 0 0 9 -6,-0.5 3,-1.9 1,-0.3 -1,-0.3 0.668 84.7 76.1 -60.2 -18.5 45.1 -25.8 -30.2 346 100 B R G < S+ 0 0 77 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.771 98.3 47.4 -63.5 -23.2 46.2 -23.5 -33.0 347 101 B Y G < S+ 0 0 28 -3,-2.3 -76,-3.1 -4,-0.3 2,-0.3 0.219 105.4 80.1-100.2 11.6 42.6 -22.5 -33.0 348 102 B L E < -K 270 0C 23 -3,-1.9 2,-0.4 -78,-0.2 -78,-0.2 -0.841 57.3-158.6-120.7 158.3 42.3 -22.1 -29.2 349 103 B G E -K 269 0C 36 -80,-1.9 -80,-3.0 -2,-0.3 2,-0.4 -0.997 28.2-118.8-132.7 133.1 43.3 -19.5 -26.7 350 104 B R E +K 268 0C 56 -2,-0.4 -82,-0.3 -82,-0.2 3,-0.1 -0.630 36.6 169.0 -74.4 124.2 43.8 -20.3 -23.0 351 105 B S E - 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