==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-10 3PZO . COMPND 2 MOLECULE: MANNAN ENDO-1,4-BETA-MANNOSIDASE. GLYCOSYL HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA RKU-1; . AUTHOR C.R.SANTOS,A.N.MEZA,J.H.PAIVA,J.C.SILVA,R.RULLER,R.A.PRADE, . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 0 1 1 0 1 0 0 0 1 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 3 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 . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 37 A F 0 0 145 0, 0.0 2,-0.4 0, 0.0 356,-0.0 0.000 360.0 360.0 360.0 99.2 15.1 0.3 18.0 2 38 A R + 0 0 69 308,-0.0 2,-0.3 2,-0.0 308,-0.2 -0.897 360.0 165.5-109.2 145.2 15.4 3.3 15.5 3 39 A F E -a 310 0A 6 306,-2.0 308,-1.6 -2,-0.4 2,-0.4 -0.990 44.7-120.6-156.6 161.3 12.3 4.5 13.7 4 40 A I E +a 311 0A 2 26,-0.4 28,-2.2 -2,-0.3 29,-0.9 -0.883 47.9 168.9 -96.7 131.7 10.3 6.9 11.5 5 41 A G E -ab 312 33A 0 306,-2.3 308,-1.5 -2,-0.4 2,-0.3 -0.722 17.8-163.6-132.4 179.4 7.2 7.9 13.5 6 42 A S E -ab 313 34A 0 27,-2.1 29,-2.9 306,-0.3 2,-0.3 -0.895 16.7-113.7-152.4-171.6 4.4 10.4 13.4 7 43 A N E + b 0 35A 0 306,-0.8 309,-2.4 -2,-0.3 308,-0.4 -0.971 21.0 174.8-127.5 148.4 1.7 12.0 15.4 8 44 A N E - b 0 36A 1 27,-2.4 29,-0.5 -2,-0.3 3,-0.4 -0.888 9.5-169.5-154.9 131.5 -2.1 12.0 15.4 9 45 A Y S S+ 0 0 40 -2,-0.3 3,-0.3 27,-0.2 27,-0.1 0.432 76.7 62.9 -99.4 -1.1 -4.3 13.7 18.0 10 46 A Y >> + 0 0 0 1,-0.2 3,-1.9 2,-0.1 4,-1.7 0.348 63.4 106.4-113.0 17.2 -7.8 12.3 17.3 11 47 A M T 34 S+ 0 0 0 -3,-0.4 68,-0.3 1,-0.3 -1,-0.2 0.475 78.9 56.3 -71.1 -5.4 -7.2 8.6 17.9 12 48 A H T 34 S+ 0 0 0 -3,-0.3 64,-0.3 27,-0.1 63,-0.3 0.372 119.9 22.2-113.8 9.3 -9.3 8.9 21.3 13 49 A Y T <4 S+ 0 0 14 -3,-1.9 -2,-0.2 62,-0.2 2,-0.1 0.494 96.4 92.0-151.5 -0.5 -12.5 10.3 19.8 14 50 A K S < S- 0 0 36 -4,-1.7 2,-0.0 1,-0.2 35,-0.0 -0.280 78.7 -83.6 -94.4 174.1 -13.0 9.6 16.1 15 51 A S > - 0 0 30 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 -0.278 36.5-105.0 -75.6 167.1 -14.8 6.6 14.6 16 52 A N H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 121.2 53.5 -56.4 -40.1 -13.5 3.1 13.9 17 53 A R H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 111.5 45.2 -63.2 -42.2 -13.2 3.9 10.2 18 54 A M H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 114.8 46.7 -70.6 -39.5 -11.2 7.0 10.8 19 55 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.932 112.0 50.8 -65.8 -42.7 -8.9 5.3 13.4 20 56 A D H X S+ 0 0 32 -4,-3.0 4,-3.4 -5,-0.3 5,-0.3 0.927 107.0 55.6 -63.9 -37.4 -8.3 2.3 11.2 21 57 A S H X S+ 0 0 21 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.918 109.2 46.1 -59.4 -43.5 -7.4 4.6 8.3 22 58 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.957 117.3 42.6 -61.5 -48.8 -4.7 6.3 10.3 23 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 115.1 48.9 -75.2 -37.0 -3.2 3.1 11.6 24 60 A E H X S+ 0 0 86 -4,-3.4 4,-2.6 -5,-0.3 -1,-0.2 0.880 111.5 50.9 -64.5 -36.2 -3.5 1.3 8.2 25 61 A S H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.3 6,-0.2 0.931 109.8 50.3 -64.3 -43.4 -1.8 4.3 6.6 26 62 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-1.0 0.939 112.8 46.0 -56.1 -46.6 1.0 4.2 9.2 27 63 A R H ><5S+ 0 0 143 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.946 112.9 49.6 -66.6 -45.0 1.5 0.4 8.5 28 64 A D H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 113.6 48.2 -63.3 -31.2 1.4 1.0 4.7 29 65 A M H 3<5S- 0 0 3 -4,-2.4 -1,-0.3 -5,-0.2 325,-0.2 0.577 113.3-114.6 -84.2 -9.9 4.0 3.8 5.0 30 66 A G T <<5 + 0 0 30 -3,-1.0 2,-0.5 -4,-1.0 -26,-0.4 0.589 61.5 153.5 86.4 8.8 6.4 1.9 7.2 31 67 A I < - 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.2 -0.666 21.6-174.8 -78.7 117.3 5.8 4.3 10.1 32 68 A K + 0 0 88 -28,-2.2 57,-2.6 -2,-0.5 2,-0.4 0.648 61.0 39.6 -89.0 -24.6 6.5 2.2 13.3 33 69 A V E -bc 5 89A 0 -29,-0.9 -27,-2.1 55,-0.2 2,-0.4 -0.995 59.2-166.7-135.8 132.4 5.5 4.6 16.1 34 70 A L E -bc 6 90A 0 55,-2.8 57,-2.3 -2,-0.4 2,-0.5 -0.990 12.5-148.0-120.4 128.2 2.6 7.0 16.5 35 71 A R E +bc 7 91A 1 -29,-2.9 -27,-2.4 -2,-0.4 2,-0.3 -0.840 29.2 172.3 -93.2 122.6 2.4 9.6 19.2 36 72 A I E -bc 8 92A 0 55,-3.1 57,-2.4 -2,-0.5 2,-0.4 -0.852 34.5-100.7-132.4 164.6 -1.2 10.2 20.3 37 73 A W E - c 0 93A 11 -29,-0.5 57,-0.2 -2,-0.3 55,-0.0 -0.695 21.3-173.2 -87.3 139.5 -3.1 12.1 23.0 38 74 A G + 0 0 0 55,-2.8 2,-0.3 -2,-0.4 -1,-0.1 -0.148 60.3 82.0-118.2 41.3 -4.4 10.2 26.0 39 75 A F + 0 0 0 2,-0.0 2,-0.2 56,-0.0 -27,-0.1 -0.985 35.9 169.1-145.3 147.9 -6.3 13.2 27.5 40 76 A L - 0 0 0 -2,-0.3 14,-2.4 63,-0.0 13,-0.7 -0.715 27.7-174.4-158.7 88.2 -9.6 15.0 27.2 41 77 A D B +h 54 0B 0 60,-2.6 4,-0.2 -2,-0.2 65,-0.1 -0.835 40.0 29.6 -95.5 130.9 -9.9 17.4 30.2 42 78 A G S > S- 0 0 0 12,-2.7 4,-2.5 -2,-0.5 5,-0.3 0.371 75.1-103.8 102.4 141.9 -12.9 19.5 31.0 43 79 A E H > S+ 0 0 64 12,-1.3 4,-3.1 1,-0.2 5,-0.2 0.914 117.3 51.1 -66.3 -37.2 -16.6 19.2 30.6 44 80 A S H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 112.2 46.6 -63.2 -40.5 -16.8 21.7 27.7 45 81 A Y H > S+ 0 0 59 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.911 115.0 46.8 -69.6 -38.8 -14.0 20.0 25.7 46 82 A C H >X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.7 0.948 112.7 49.5 -67.3 -45.8 -15.6 16.5 26.3 47 83 A R H ><5S+ 0 0 140 -4,-3.1 3,-1.1 -5,-0.3 -2,-0.2 0.914 104.1 58.9 -61.4 -41.3 -19.0 17.8 25.4 48 84 A D H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 118.4 31.7 -55.5 -29.4 -17.7 19.4 22.1 49 85 A K H <<5S- 0 0 63 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.379 103.9-128.6-107.1 6.9 -16.4 15.9 21.0 50 86 A N T <<5S+ 0 0 76 -3,-1.1 20,-2.7 -4,-0.7 2,-0.4 0.883 76.7 113.9 41.5 42.7 -19.2 14.0 22.7 51 87 A T E < -i 70 0C 0 -5,-2.1 2,-0.4 18,-0.2 -2,-0.3 -0.981 53.2-154.9-144.5 132.4 -16.4 12.0 24.2 52 88 A Y E +i 71 0C 4 18,-2.3 20,-2.7 -2,-0.4 21,-0.6 -0.895 35.2 137.6-118.7 132.3 -15.4 11.9 27.8 53 89 A M S S+ 0 0 0 -13,-0.7 8,-1.5 -2,-0.4 -12,-0.1 0.521 89.0 0.4-127.0 -47.1 -12.2 11.1 29.7 54 90 A H B +h 41 0B 0 -14,-2.4 -12,-2.7 6,-0.2 6,-0.2 -0.444 65.8 157.7-146.0 75.6 -11.8 13.6 32.5 55 91 A P S S- 0 0 1 0, 0.0 -12,-1.3 0, 0.0 -11,-0.2 0.796 73.2 -2.0 -76.2 -26.9 -14.7 16.0 32.5 56 92 A E B > S-J 59 0D 90 3,-0.6 3,-2.3 -14,-0.2 51,-0.0 -0.961 99.0 -62.3-153.7 163.2 -14.3 17.1 36.2 57 93 A P T 3 S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 71,-0.0 -0.303 122.6 6.0 -55.9 131.0 -12.0 16.2 39.2 58 94 A G T 3 S+ 0 0 44 1,-0.2 2,-0.6 70,-0.1 -4,-0.0 0.503 102.6 112.9 75.7 2.5 -12.4 12.5 40.2 59 95 A V B < +J 56 0D 50 -3,-2.3 -3,-0.6 4,-0.0 2,-0.6 -0.941 41.4 178.8-106.6 116.8 -14.7 11.7 37.1 60 96 A F - 0 0 50 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.955 57.1 -3.7-118.5 115.0 -13.0 9.4 34.6 61 97 A G S S- 0 0 2 -8,-1.5 -8,-0.2 -2,-0.6 10,-0.1 -0.697 117.5 -8.3 101.3-157.2 -15.1 8.4 31.6 62 98 A V S S- 0 0 46 -2,-0.3 -2,-0.1 -10,-0.2 3,-0.1 -0.584 76.3-112.2 -83.8 132.4 -18.7 9.4 30.9 63 99 A P > - 0 0 35 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.330 40.8 -94.6 -62.8 139.7 -20.6 11.2 33.8 64 100 A E T 3 S+ 0 0 202 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.290 114.0 26.5 -45.5 136.0 -23.4 9.3 35.4 65 101 A G T 3 S+ 0 0 78 1,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.461 90.0 115.1 83.7 -5.7 -26.7 10.3 33.7 66 102 A I < - 0 0 57 -3,-2.1 3,-0.3 -4,-0.0 -1,-0.3 -0.908 48.4-171.3 -94.9 120.9 -25.1 11.3 30.4 67 103 A S + 0 0 93 -2,-0.7 3,-0.1 1,-0.2 -3,-0.0 -0.625 56.2 26.3-107.1 163.6 -26.3 9.0 27.7 68 104 A N S S+ 0 0 161 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.793 88.6 131.9 60.6 29.5 -25.3 8.4 24.0 69 105 A A - 0 0 27 -3,-0.3 2,-0.3 -18,-0.0 -1,-0.2 -0.806 58.0-118.0-110.1 151.3 -21.8 9.7 24.7 70 106 A Q E -i 51 0C 61 -20,-2.7 -18,-2.3 -2,-0.3 2,-0.6 -0.656 18.6-135.7 -84.5 150.1 -18.5 8.1 23.7 71 107 A N E > -i 52 0C 51 -2,-0.3 4,-1.6 -20,-0.2 3,-0.5 -0.919 8.4-149.4-102.7 114.2 -16.0 7.0 26.4 72 108 A G H > S+ 0 0 0 -20,-2.7 4,-2.7 -2,-0.6 -19,-0.2 0.814 97.4 59.7 -60.1 -26.4 -12.5 8.2 25.4 73 109 A F H > S+ 0 0 3 -21,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.853 104.9 48.7 -64.5 -36.9 -11.0 5.2 27.2 74 110 A E H > S+ 0 0 52 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.844 112.7 47.3 -69.9 -35.6 -13.0 2.9 25.0 75 111 A R H X S+ 0 0 11 -4,-1.6 4,-2.5 -63,-0.3 -2,-0.2 0.928 113.2 48.0 -71.9 -44.4 -11.8 4.8 21.9 76 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -64,-0.3 -2,-0.2 0.887 110.7 54.2 -56.0 -40.5 -8.1 4.7 23.2 77 113 A D H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.899 108.8 46.4 -62.1 -44.3 -8.8 0.9 23.8 78 114 A Y H X S+ 0 0 23 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.947 112.9 50.0 -64.1 -43.8 -9.9 0.4 20.2 79 115 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 -68,-0.3 -2,-0.2 0.910 113.2 46.6 -59.5 -45.5 -6.8 2.4 18.9 80 116 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.899 112.8 49.1 -63.1 -46.2 -4.5 0.3 21.1 81 117 A A H X S+ 0 0 20 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 115.0 44.1 -63.0 -40.2 -6.1 -3.0 20.0 82 118 A K H X S+ 0 0 34 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.906 112.0 52.2 -69.7 -38.4 -5.9 -2.0 16.3 83 119 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 4,-1.0 0.910 108.5 52.6 -62.1 -36.8 -2.3 -0.7 16.7 84 120 A K H ><5S+ 0 0 84 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.931 111.2 45.9 -65.0 -48.1 -1.4 -4.1 18.3 85 121 A E H 3<5S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 117.0 44.5 -57.9 -42.1 -2.9 -6.0 15.3 86 122 A L H 3<5S- 0 0 17 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.459 112.2-115.2 -89.0 0.4 -1.2 -3.7 12.8 87 123 A G T <<5 + 0 0 49 -4,-1.0 2,-0.4 -3,-0.7 -3,-0.2 0.755 65.6 141.9 74.3 33.4 2.2 -3.7 14.5 88 124 A I < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.851 41.6-143.8-104.5 137.3 2.3 0.0 15.4 89 125 A K E -c 33 0A 84 -57,-2.6 -55,-2.8 -2,-0.4 2,-0.4 -0.695 16.5-145.8 -97.7 151.1 3.8 1.2 18.7 90 126 A L E -cd 34 154A 0 63,-2.3 65,-3.1 -2,-0.3 66,-1.4 -0.919 14.3-157.9-123.0 137.9 2.2 4.1 20.5 91 127 A I E -cd 35 156A 0 -57,-2.3 -55,-3.1 -2,-0.4 2,-0.6 -0.988 22.8-155.3-109.3 126.3 3.6 6.9 22.7 92 128 A I E -cd 36 157A 0 64,-2.3 66,-2.3 -2,-0.5 2,-0.3 -0.936 1.4-150.4-111.4 121.2 0.7 8.2 24.9 93 129 A V E -cd 37 158A 0 -57,-2.4 -55,-2.8 -2,-0.6 66,-0.2 -0.732 2.4-155.8 -96.9 140.7 0.8 11.8 26.2 94 130 A L + 0 0 0 64,-2.3 2,-0.3 -2,-0.3 66,-0.2 0.667 66.8 3.0 -98.9 -21.5 -1.0 12.4 29.5 95 131 A V - 0 0 0 63,-0.2 66,-2.5 -56,-0.1 2,-0.4 -0.959 68.6-120.9-157.7 159.3 -1.8 16.2 29.6 96 132 A N B -k 161 0E 2 -2,-0.3 8,-2.1 64,-0.2 66,-0.1 -0.872 2.8-150.0-105.8 136.9 -1.4 19.2 27.2 97 133 A N S S+ 0 0 3 64,-2.1 8,-0.3 -2,-0.4 -1,-0.1 0.901 87.3 65.1 -62.4 -32.8 0.5 22.3 28.0 98 134 A W S S- 0 0 84 63,-0.3 6,-0.2 5,-0.1 -2,-0.2 -0.293 96.6-109.8 -92.8 167.9 -2.0 24.1 25.6 99 135 A D S > S+ 0 0 69 4,-0.1 3,-2.2 -2,-0.1 2,-0.1 0.605 78.9 115.4 -80.7 -7.0 -5.7 24.6 26.0 100 136 A D T 3 S+ 0 0 102 1,-0.3 3,-0.2 2,-0.1 -59,-0.1 -0.414 92.4 8.5 -61.8 132.3 -6.7 22.2 23.3 101 137 A F T 3 S- 0 0 19 1,-0.2 -60,-2.6 -2,-0.1 2,-1.2 0.766 134.3 -69.8 58.8 29.5 -8.6 19.3 24.9 102 138 A G S <> S- 0 0 0 -3,-2.2 4,-1.2 -62,-0.2 3,-0.3 -0.452 75.8-175.1 96.9 -66.1 -8.5 21.3 28.2 103 139 A G H >> - 0 0 0 -2,-1.2 4,-1.3 -3,-0.2 3,-0.7 -0.021 53.4 -39.2 68.9-172.3 -4.8 21.1 29.1 104 140 A M H 3> S+ 0 0 0 -8,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.854 134.6 61.3 -58.1 -36.4 -3.2 22.5 32.2 105 141 A N H 3> S+ 0 0 42 -8,-0.3 4,-2.9 -3,-0.3 -1,-0.2 0.844 99.5 57.3 -64.5 -29.2 -5.4 25.6 32.2 106 142 A Q H S+ 0 0 5 -4,-2.1 5,-2.8 1,-0.2 3,-0.3 0.930 108.5 51.1 -67.9 -39.0 -6.1 25.4 37.0 109 145 A R H ><5S+ 0 0 124 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.918 107.9 53.8 -62.7 -41.2 -9.8 26.4 36.4 110 146 A W H 3<5S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.7 40.6 -58.9 -37.1 -11.0 23.4 38.4 111 147 A F T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.169 113.7-113.8-102.4 15.7 -8.9 24.3 41.4 112 148 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.713 61.5 153.9 65.1 29.9 -9.6 28.0 41.2 113 149 A G < - 0 0 27 -5,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.167 42.5-138.8 -81.1-174.1 -6.0 29.1 40.4 114 150 A T S S+ 0 0 134 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.413 74.5 39.7-133.0 5.3 -4.9 32.2 38.5 115 151 A H S > S- 0 0 80 1,-0.1 3,-2.3 -7,-0.0 4,-0.3 -0.971 75.1-118.7-153.4 144.9 -2.1 31.2 36.1 116 152 A H G > S+ 0 0 28 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.830 112.5 60.5 -41.9 -47.5 -1.4 28.2 33.8 117 153 A D G > S+ 0 0 3 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.605 78.5 83.9 -72.1 -6.7 1.8 27.4 35.8 118 154 A D G X> S+ 0 0 36 -3,-2.3 4,-3.3 1,-0.3 3,-1.1 0.783 76.8 76.4 -59.6 -22.4 -0.2 26.8 39.0 119 155 A F G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.824 96.8 43.2 -54.6 -38.6 -0.6 23.3 37.5 120 156 A Y G <4 S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.634 124.0 34.7 -79.1 -16.3 3.0 22.5 38.5 121 157 A R T <4 S+ 0 0 98 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.760 87.9 91.1-114.8 -34.1 2.8 24.0 42.0 122 158 A D X - 0 0 32 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 -0.558 61.0-152.3 -73.7 119.1 -0.8 23.5 43.4 123 159 A E H > S+ 0 0 116 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.811 95.7 56.8 -66.4 -23.2 -0.7 20.2 45.4 124 160 A R H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 109.8 44.8 -73.9 -34.0 -4.4 19.7 44.8 125 161 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.954 112.3 50.3 -71.1 -49.0 -3.8 20.0 41.0 126 162 A K H X S+ 0 0 16 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.886 110.1 52.2 -57.0 -38.9 -0.8 17.6 41.1 127 163 A E H X S+ 0 0 103 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.898 108.8 49.2 -64.5 -40.2 -2.9 15.1 43.1 128 164 A E H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.896 109.9 51.7 -66.5 -39.4 -5.7 15.2 40.5 129 165 A Y H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.949 110.9 48.2 -62.9 -45.0 -3.1 14.7 37.7 130 166 A K H X S+ 0 0 48 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.871 109.5 52.4 -62.7 -37.3 -1.8 11.7 39.5 131 167 A K H X S+ 0 0 91 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.916 112.4 46.0 -64.2 -41.1 -5.3 10.3 40.1 132 168 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 113.0 47.4 -60.8 -50.8 -6.0 10.6 36.4 133 169 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.861 112.3 50.9 -65.0 -35.3 -2.7 9.0 35.2 134 170 A S H X S+ 0 0 32 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.909 110.3 49.5 -66.3 -45.1 -3.2 6.1 37.8 135 171 A F H < S+ 0 0 77 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.944 116.7 43.0 -57.2 -49.7 -6.8 5.5 36.4 136 172 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 12,-0.3 0.936 113.7 47.8 -61.2 -53.0 -5.4 5.5 32.8 137 173 A I H 3< S+ 0 0 0 -4,-3.0 12,-1.9 1,-0.3 -1,-0.2 0.837 117.0 44.8 -63.4 -29.3 -2.3 3.4 33.4 138 174 A N T 3< S+ 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.423 85.2 124.0 -88.5 -2.2 -4.4 0.8 35.3 139 175 A H < - 0 0 33 -3,-1.2 9,-2.4 -4,-0.5 2,-0.7 -0.355 59.3-136.0 -68.6 131.1 -7.2 0.8 32.8 140 176 A V B -L 147 0F 77 7,-0.3 2,-0.2 -2,-0.1 -1,-0.1 -0.723 23.9-121.7 -88.5 121.1 -8.0 -2.7 31.4 141 177 A N >> - 0 0 1 5,-1.5 4,-2.7 -2,-0.7 3,-0.7 -0.439 12.9-146.2 -63.1 127.7 -8.5 -2.5 27.7 142 178 A V T 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 -68,-0.1 0.620 96.7 48.7 -77.2 -10.3 -12.0 -3.7 26.8 143 179 A Y T 34 S+ 0 0 111 3,-0.1 -1,-0.2 -69,-0.1 -2,-0.1 0.593 126.8 21.4-100.1 -18.3 -10.8 -5.2 23.4 144 180 A T T <4 S- 0 0 47 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.0 0.645 86.0-130.1-121.4 -23.9 -7.8 -7.1 24.8 145 181 A G S < S+ 0 0 53 -4,-2.7 -3,-0.1 1,-0.2 -5,-0.0 0.416 70.4 122.0 76.6 -2.7 -8.1 -7.7 28.5 146 182 A V - 0 0 35 -5,-0.2 -5,-1.5 -6,-0.1 -1,-0.2 -0.851 63.8-129.1 -98.1 124.3 -4.6 -6.3 29.0 147 183 A P B > -L 140 0F 16 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.328 25.6-116.0 -64.2 150.3 -4.2 -3.3 31.4 148 184 A Y G > S+ 0 0 0 -9,-2.4 3,-1.9 -12,-0.3 6,-0.2 0.901 115.0 67.4 -56.7 -35.5 -2.3 -0.5 29.7 149 185 A R G 3 S+ 0 0 59 -12,-1.9 42,-0.3 1,-0.3 -1,-0.3 0.768 111.1 34.3 -47.5 -34.0 0.4 -1.0 32.4 150 186 A E G < S+ 0 0 110 -3,-1.7 -1,-0.3 -13,-0.2 -2,-0.2 0.273 90.2 113.6-107.6 7.4 1.1 -4.5 30.8 151 187 A E X - 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