==== 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 3PZG . COMPND 2 MOLECULE: MANNAN ENDO-1,4-BETA-MANNOSIDASE. GLYCOSYL HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA; . 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) . 14061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.3 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 . 44 12.3 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 2 1 0 1 1 0 1 0 0 0 2 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 2 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 0 143 0, 0.0 2,-0.3 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 71.7 18.1 -1.4 17.4 2 38 A R + 0 0 108 308,-0.0 2,-0.3 302,-0.0 308,-0.2 -0.667 360.0 172.4 -77.8 143.5 19.6 -0.1 14.1 3 39 A F E -a 310 0A 3 306,-1.9 308,-1.2 -2,-0.3 2,-0.5 -0.992 41.2-123.2-153.6 160.3 17.6 2.9 12.8 4 40 A I E +a 311 0A 3 26,-0.4 28,-1.9 -2,-0.3 29,-0.9 -0.912 45.6 166.0 -96.6 133.1 17.1 5.7 10.4 5 41 A G E -ab 312 33A 0 306,-2.3 308,-1.5 -2,-0.5 2,-0.3 -0.766 20.4-160.5-135.7-175.3 16.8 9.0 12.2 6 42 A S E -ab 313 34A 0 27,-2.0 29,-2.8 306,-0.3 2,-0.3 -0.867 18.0-114.5-153.2-174.3 16.9 12.8 11.7 7 43 A N E + b 0 35A 0 306,-0.9 309,-2.3 -2,-0.3 308,-0.4 -0.944 21.0 176.8-127.4 146.2 17.3 16.1 13.6 8 44 A N - 0 0 1 27,-2.3 29,-0.5 -2,-0.3 3,-0.3 -0.877 8.9-170.4-150.7 130.0 15.1 19.0 14.4 9 45 A Y S S+ 0 0 37 -2,-0.3 3,-0.3 27,-0.2 27,-0.1 0.340 76.2 63.9 -96.7 -7.1 16.1 22.0 16.5 10 46 A Y >> + 0 0 0 1,-0.2 4,-1.8 2,-0.1 3,-1.6 0.365 64.7 104.3-110.2 15.2 12.8 23.8 17.1 11 47 A M T 34 S+ 0 0 1 -3,-0.3 68,-0.3 1,-0.3 -1,-0.2 0.523 79.8 55.7 -72.4 -4.4 10.8 21.2 19.1 12 48 A H T 34 S+ 0 0 0 -3,-0.3 64,-0.3 27,-0.1 63,-0.3 0.310 120.0 24.1-111.0 10.3 11.4 23.2 22.3 13 49 A Y T <4 S+ 0 0 19 -3,-1.6 -2,-0.2 62,-0.2 2,-0.1 0.543 97.6 88.8-147.6 -12.6 9.9 26.5 21.1 14 50 A K S < S- 0 0 38 -4,-1.8 35,-0.0 1,-0.2 5,-0.0 -0.404 79.1 -83.2 -85.6 178.9 7.4 26.1 18.2 15 51 A S > - 0 0 35 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.198 36.7-105.6 -75.7 164.7 3.7 25.5 18.4 16 52 A N H > S+ 0 0 59 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.867 122.4 54.9 -53.6 -44.0 1.8 22.2 18.9 17 53 A R H > S+ 0 0 171 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 111.6 43.6 -60.3 -41.6 0.9 22.3 15.2 18 54 A M H > S+ 0 0 1 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.889 115.8 46.8 -67.6 -42.5 4.6 22.6 14.1 19 55 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.945 112.3 50.5 -64.5 -48.4 5.8 20.0 16.6 20 56 A D H X S+ 0 0 31 -4,-3.3 4,-3.2 -5,-0.3 5,-0.3 0.883 108.1 53.7 -56.4 -42.0 3.0 17.6 15.5 21 57 A S H X S+ 0 0 15 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.0 46.4 -64.5 -36.9 3.9 18.1 11.8 22 58 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.951 117.2 43.5 -67.0 -45.4 7.6 17.2 12.4 23 59 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 115.2 46.8 -68.5 -40.2 6.7 14.1 14.5 24 60 A E H X S+ 0 0 67 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.877 111.2 53.6 -66.9 -37.0 3.9 12.9 12.2 25 61 A S H X S+ 0 0 13 -4,-2.4 4,-2.4 -5,-0.3 6,-0.3 0.937 109.6 49.0 -57.8 -47.9 6.3 13.4 9.2 26 62 A A H X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.9 0.962 113.2 45.2 -54.7 -49.6 8.9 11.3 11.0 27 63 A R H ><5S+ 0 0 107 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.941 113.5 49.9 -61.2 -43.4 6.4 8.5 11.7 28 64 A D H 3<5S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 114.4 46.2 -67.8 -27.3 5.0 8.7 8.1 29 65 A M H 3<5S- 0 0 2 -4,-2.4 325,-0.3 -5,-0.2 -1,-0.3 0.541 116.2-112.0 -92.4 -3.8 8.6 8.5 6.7 30 66 A G T <<5 + 0 0 29 -4,-0.9 2,-0.7 -3,-0.9 -26,-0.4 0.710 62.7 153.8 78.8 19.8 9.7 5.6 8.9 31 67 A I < - 0 0 1 -5,-2.6 -1,-0.3 -6,-0.3 -26,-0.2 -0.768 19.4-177.2 -82.6 115.6 12.1 7.9 10.9 32 68 A K + 0 0 78 -28,-1.9 57,-2.6 -2,-0.7 2,-0.4 0.679 60.8 40.2 -92.8 -23.3 12.4 6.2 14.3 33 69 A V E -bc 5 89A 0 -29,-0.9 -27,-2.0 55,-0.2 2,-0.5 -0.993 61.2-164.8-130.9 138.1 14.7 8.5 16.3 34 70 A L E -bc 6 90A 0 55,-2.5 57,-2.3 -2,-0.4 2,-0.5 -0.986 11.7-147.4-124.6 128.1 14.8 12.3 16.3 35 71 A R E +bc 7 91A 1 -29,-2.8 -27,-2.3 -2,-0.5 2,-0.3 -0.862 30.2 172.2 -94.0 123.3 17.8 14.3 17.7 36 72 A I E - c 0 92A 0 55,-2.8 57,-2.4 -2,-0.5 2,-0.4 -0.851 35.4 -99.9-134.6 163.5 16.6 17.5 19.2 37 73 A W E - c 0 93A 11 -29,-0.5 57,-0.1 -2,-0.3 55,-0.0 -0.660 21.7-174.4 -85.9 137.3 17.9 20.5 21.3 38 74 A G + 0 0 0 55,-2.5 2,-0.3 -2,-0.4 -1,-0.1 -0.149 61.1 79.7-115.4 32.5 17.2 20.4 25.1 39 75 A F + 0 0 0 2,-0.0 2,-0.2 56,-0.0 -27,-0.1 -0.990 37.2 169.9-143.5 147.6 18.7 24.0 25.7 40 76 A L - 0 0 0 -2,-0.3 14,-2.5 63,-0.0 13,-0.8 -0.646 28.9-173.3-154.7 92.2 17.9 27.7 25.4 41 77 A D B +h 54 0B 0 60,-2.7 4,-0.2 -2,-0.2 65,-0.1 -0.807 37.8 23.2-102.4 132.3 20.6 29.5 27.2 42 78 A G S > S- 0 0 0 12,-2.6 4,-2.4 -2,-0.4 5,-0.2 0.278 75.3 -98.0 96.8 139.4 20.7 33.3 27.9 43 79 A E H > S+ 0 0 67 12,-1.0 4,-2.9 1,-0.2 5,-0.2 0.879 118.8 48.8 -54.8 -46.5 18.3 36.1 28.1 44 80 A S H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 113.4 47.2 -70.3 -31.7 18.7 37.5 24.6 45 81 A Y H > S+ 0 0 58 -4,-0.2 4,-1.3 2,-0.2 6,-0.2 0.893 115.0 45.7 -73.5 -43.8 18.3 34.0 23.0 46 82 A C H >X>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-0.6 0.947 113.0 51.1 -64.1 -44.2 15.2 33.2 25.1 47 83 A R H ><5S+ 0 0 196 -4,-2.9 3,-1.1 -5,-0.2 -2,-0.2 0.908 105.3 56.6 -56.7 -42.1 13.8 36.7 24.4 48 84 A D H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 118.4 32.0 -65.9 -30.6 14.3 36.2 20.6 49 85 A K H <<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.320 103.8-128.2 -98.3 -0.6 12.2 33.0 20.6 50 86 A N T <<5S+ 0 0 68 -3,-1.1 20,-2.9 -4,-0.6 2,-0.4 0.812 77.3 112.4 51.9 34.5 9.9 34.3 23.4 51 87 A T E < -i 70 0C 2 -5,-2.0 2,-0.4 -6,-0.2 -2,-0.3 -0.996 54.0-154.6-142.8 134.4 10.7 31.0 25.1 52 88 A Y E +i 71 0C 8 18,-2.5 20,-2.3 -2,-0.4 21,-0.6 -0.876 34.7 137.9-124.7 132.1 12.7 30.4 28.3 53 89 A M S S+ 0 0 0 -13,-0.8 8,-2.0 -2,-0.4 -12,-0.2 0.601 89.2 2.9-127.1 -50.7 14.8 27.5 29.6 54 90 A H B +h 41 0B 0 -14,-2.5 -12,-2.6 6,-0.2 6,-0.2 -0.540 67.1 156.7-140.3 68.7 18.0 28.9 31.1 55 91 A P S S+ 0 0 0 0, 0.0 -12,-1.0 0, 0.0 -11,-0.1 0.759 72.2 1.8 -70.3 -29.3 17.9 32.7 30.9 56 92 A E B > S-J 59 0D 76 3,-0.8 3,-2.1 -14,-0.2 51,-0.0 -0.971 98.2 -68.8-148.7 162.4 20.4 33.3 33.8 57 93 A P T 3 S+ 0 0 46 0, 0.0 3,-0.1 0, 0.0 71,-0.0 -0.337 121.6 8.4 -54.9 134.3 22.5 31.2 36.1 58 94 A G T 3 S+ 0 0 40 1,-0.2 2,-0.5 70,-0.1 -4,-0.0 0.614 103.6 112.2 70.3 12.3 20.3 29.3 38.6 59 95 A V B < -J 56 0D 51 -3,-2.1 -3,-0.8 2,-0.0 2,-0.5 -0.973 43.0-179.2-121.0 115.0 17.1 30.4 36.7 60 96 A F - 0 0 46 -2,-0.5 2,-0.2 -6,-0.2 -6,-0.2 -0.959 53.6 -2.6-121.1 125.0 15.2 27.6 35.0 61 97 A G S S- 0 0 6 -8,-2.0 -8,-0.1 -2,-0.5 9,-0.1 -0.632 117.9 -7.6 88.9-154.3 12.1 28.2 33.0 62 98 A V S S- 0 0 53 -2,-0.2 -2,-0.1 -10,-0.1 3,-0.1 -0.659 75.2-124.5 -83.0 129.5 10.4 31.6 32.7 63 99 A P > - 0 0 21 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.381 35.6 -89.4 -69.7 150.4 12.0 34.3 34.9 64 100 A E T 3 S+ 0 0 203 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.242 109.2 35.8 -49.2 135.6 9.8 36.2 37.3 65 101 A G T 3 S+ 0 0 77 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.287 85.3 106.6 104.2 -12.0 8.3 39.4 35.7 66 102 A I < - 0 0 64 -3,-1.3 3,-0.3 3,-0.0 2,-0.3 -0.918 43.8-172.8-102.3 118.0 7.6 38.3 32.1 67 103 A S S S+ 0 0 106 -2,-0.6 3,-0.1 1,-0.1 -3,-0.0 -0.645 70.3 32.3 -90.0 157.9 4.0 37.7 31.1 68 104 A N S S+ 0 0 149 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.577 87.9 128.3 67.5 17.5 3.3 36.2 27.6 69 105 A A - 0 0 19 -3,-0.3 2,-0.3 -18,-0.0 -1,-0.2 -0.620 54.7-128.8 -94.7 154.7 6.4 34.1 27.5 70 106 A Q E -i 51 0C 98 -20,-2.9 -18,-2.5 -2,-0.2 2,-0.6 -0.728 14.7-129.2 -96.5 155.4 6.6 30.4 26.8 71 107 A N E >> -i 52 0C 53 -2,-0.3 4,-2.1 -20,-0.2 3,-0.7 -0.869 8.9-151.2-106.1 118.4 8.4 27.9 29.0 72 108 A G H 3> S+ 0 0 0 -20,-2.3 4,-2.7 -2,-0.6 5,-0.2 0.772 97.1 59.3 -61.9 -28.8 10.8 25.8 26.9 73 109 A F H 3> S+ 0 0 3 -21,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.874 104.8 50.1 -67.5 -29.4 10.4 22.9 29.4 74 110 A E H <> S+ 0 0 36 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.905 112.7 46.9 -73.3 -39.0 6.6 23.0 28.6 75 111 A R H X S+ 0 0 22 -4,-2.1 4,-2.7 -63,-0.3 5,-0.2 0.928 114.1 46.8 -65.2 -45.4 7.3 22.9 24.9 76 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -64,-0.3 5,-0.2 0.904 109.3 55.1 -61.8 -39.0 9.9 20.1 25.4 77 113 A D H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 108.4 48.7 -58.4 -42.3 7.3 18.2 27.6 78 114 A Y H X S+ 0 0 31 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.939 110.9 50.2 -62.3 -47.5 4.8 18.4 24.7 79 115 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 -68,-0.3 5,-0.2 0.908 112.4 47.0 -56.5 -45.6 7.3 17.1 22.2 80 116 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.924 114.0 47.0 -62.8 -44.8 8.2 14.2 24.5 81 117 A A H X S+ 0 0 21 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.901 115.4 45.4 -62.9 -40.5 4.6 13.3 25.1 82 118 A K H X S+ 0 0 25 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.909 112.7 50.8 -68.8 -42.8 3.6 13.6 21.4 83 119 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.3 4,-0.9 0.938 108.7 52.4 -59.6 -39.5 6.7 11.5 20.4 84 120 A K H ><5S+ 0 0 85 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.922 108.4 51.0 -62.7 -41.7 5.7 8.9 23.0 85 121 A E H 3<5S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.7 42.0 -60.0 -39.3 2.2 8.7 21.5 86 122 A L H 3<5S- 0 0 29 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.409 112.5-116.1 -89.7 -3.0 3.7 8.2 18.0 87 123 A G T <<5 + 0 0 53 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.2 0.717 64.7 144.4 75.4 20.2 6.4 5.8 19.1 88 124 A I < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.794 40.7-142.2 -91.1 139.2 9.3 8.1 18.1 89 125 A K E -c 33 0A 75 -57,-2.6 -55,-2.5 -2,-0.4 2,-0.4 -0.710 14.9-145.3 -97.5 153.2 12.5 8.0 20.3 90 126 A L E -cd 34 154A 0 63,-2.4 65,-3.0 -2,-0.3 66,-1.2 -0.931 13.8-157.7-123.8 139.4 14.4 11.2 21.1 91 127 A I E -cd 35 156A 0 -57,-2.3 -55,-2.8 -2,-0.4 2,-0.5 -0.954 23.7-155.8-107.0 124.1 18.1 11.9 21.7 92 128 A I E -cd 36 157A 0 64,-2.4 66,-2.4 -2,-0.6 2,-0.3 -0.907 2.2-151.3-111.8 123.0 18.2 15.1 23.7 93 129 A V E -cd 37 158A 0 -57,-2.4 -55,-2.5 -2,-0.5 66,-0.2 -0.733 1.9-156.2 -99.1 140.9 21.3 17.4 23.5 94 130 A L + 0 0 0 64,-2.4 2,-0.3 -2,-0.3 66,-0.1 0.666 66.4 2.5 -99.3 -19.8 22.1 19.4 26.6 95 131 A V - 0 0 0 63,-0.2 66,-2.8 -56,-0.1 2,-0.5 -0.958 68.0-118.5-156.6 158.6 24.2 22.4 25.4 96 132 A N B -k 161 0E 3 -2,-0.3 8,-2.2 64,-0.2 66,-0.1 -0.883 2.1-152.1 -99.9 142.4 25.5 23.8 22.1 97 133 A N S S+ 0 0 5 64,-2.3 8,-0.3 -2,-0.5 -1,-0.1 0.892 86.4 66.4 -64.7 -38.4 29.2 24.2 21.2 98 134 A W S S- 0 0 83 63,-0.4 -2,-0.2 5,-0.1 6,-0.2 -0.319 95.8-110.3 -86.4 168.7 27.9 27.1 19.0 99 135 A D S > S+ 0 0 68 4,-0.1 3,-2.3 5,-0.1 2,-0.2 0.593 81.0 111.9 -74.5 -18.8 26.4 30.4 19.8 100 136 A D T 3 S+ 0 0 103 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 -0.489 93.3 9.3 -60.1 132.2 22.9 29.4 18.5 101 137 A F T 3 S- 0 0 21 1,-0.2 -60,-2.7 -2,-0.2 2,-1.2 0.749 133.5 -71.2 63.6 27.4 20.5 29.2 21.5 102 138 A G S <> S- 0 0 0 -3,-2.3 4,-1.1 -62,-0.2 3,-0.3 -0.543 75.5-176.5 93.8 -65.3 23.3 30.7 23.7 103 139 A G H >> - 0 0 0 -2,-1.2 4,-1.5 -3,-0.2 3,-0.8 0.045 53.2 -38.3 70.3-169.2 25.8 27.8 23.8 104 140 A M H 3> S+ 0 0 0 -8,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.856 135.0 61.2 -59.8 -41.1 29.0 27.6 25.7 105 141 A N H 3> S+ 0 0 42 -8,-0.3 4,-2.7 -3,-0.3 -1,-0.3 0.855 99.6 56.0 -59.5 -36.6 29.8 31.2 25.0 106 142 A Q H S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 3,-0.4 0.919 109.5 49.6 -62.0 -44.7 31.3 31.9 29.6 109 145 A R H ><5S+ 0 0 119 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.908 106.5 56.8 -61.9 -38.4 29.8 35.5 29.4 110 146 A W H 3<5S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.4 42.7 -55.8 -38.1 27.6 34.8 32.5 111 147 A F T 3<5S- 0 0 58 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.263 119.0-107.2-100.2 13.9 30.7 34.0 34.5 112 148 A G T < 5 + 0 0 70 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.1 0.633 69.8 139.8 80.3 15.7 32.9 36.8 33.2 113 149 A G < - 0 0 21 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.401 42.8-154.6 -91.1 170.1 35.2 34.8 30.9 114 150 A T + 0 0 123 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.305 70.0 70.1-124.8 6.6 36.5 35.8 27.5 115 151 A H S > S- 0 0 112 1,-0.1 3,-2.3 -7,-0.1 4,-0.4 -0.992 70.5-136.7-126.5 134.3 37.3 32.5 25.8 116 152 A H T > S+ 0 0 36 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.887 104.2 59.1 -44.2 -46.3 34.8 29.8 24.6 117 153 A D T >> S+ 0 0 13 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.604 79.5 84.7 -74.0 -9.3 36.9 27.0 26.0 118 154 A D H X> S+ 0 0 46 -3,-2.3 4,-2.6 1,-0.2 3,-1.1 0.780 75.6 76.4 -56.6 -21.9 36.7 28.4 29.6 119 155 A F H <4 S+ 0 0 1 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.842 96.0 44.6 -58.0 -31.9 33.4 26.5 29.6 120 156 A Y H <4 S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.699 123.0 34.6 -86.3 -15.8 35.3 23.2 30.1 121 157 A R H << S+ 0 0 172 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.754 88.6 91.6-110.2 -37.1 37.8 24.5 32.8 122 158 A D >X - 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