==== 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 21-OCT-08 2ZUM . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-W.KIM,K.ISHIKAWA . 377 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 2 0 0 2 0 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 33 A Y 0 0 136 0, 0.0 2,-0.3 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 94.0 15.7 9.1 30.9 2 34 A Q + 0 0 145 211,-0.1 5,-0.0 2,-0.0 19,-0.0 -0.703 360.0 154.8 -81.8 136.2 14.1 9.4 27.5 3 35 A T - 0 0 29 -2,-0.3 5,-0.1 210,-0.1 154,-0.1 -0.958 42.9-149.9-162.1 139.9 15.9 7.4 24.7 4 36 A P S S+ 0 0 79 0, 0.0 155,-0.1 0, 0.0 4,-0.1 0.475 101.8 41.4 -91.1 1.2 15.1 5.9 21.4 5 37 A T S S- 0 0 41 2,-0.4 3,-0.1 153,-0.1 154,-0.1 0.550 109.0-108.8-116.7 -17.8 17.7 3.2 21.8 6 38 A G S S+ 0 0 18 1,-0.3 15,-2.5 15,-0.0 16,-0.5 0.201 92.7 98.4 102.8 -14.4 17.5 2.0 25.4 7 39 A I E -A 20 0A 20 13,-0.2 2,-0.4 14,-0.1 -2,-0.4 -0.878 51.2-174.2-112.1 136.9 20.8 3.7 26.1 8 40 A Y E -A 19 0A 23 11,-2.2 11,-2.7 -2,-0.4 2,-0.4 -0.997 9.9-153.2-131.8 128.2 21.2 7.2 27.7 9 41 A Y E +A 18 0A 0 205,-2.3 2,-0.3 -2,-0.4 9,-0.2 -0.818 22.4 163.4-100.3 143.2 24.4 9.0 28.1 10 42 A E E -A 17 0A 14 7,-2.3 7,-3.5 -2,-0.4 2,-0.4 -0.993 34.5-120.7-156.0 162.1 25.0 11.6 30.8 11 43 A V E -A 16 0A 4 247,-2.0 2,-0.4 -2,-0.3 5,-0.2 -0.823 20.4-174.8-103.1 135.5 27.7 13.5 32.7 12 44 A R E > -A 15 0A 77 3,-2.7 3,-1.7 -2,-0.4 2,-0.4 -0.947 69.4 -46.1-128.7 110.4 28.0 13.2 36.5 13 45 A G T 3 S- 0 0 41 -2,-0.4 292,-0.7 1,-0.2 -2,-0.0 -0.547 122.9 -24.8 66.4-127.2 30.5 15.5 37.7 14 46 A D T 3 S+ 0 0 67 -2,-0.4 2,-0.4 290,-0.2 292,-0.3 0.145 121.8 92.6-102.9 16.2 33.5 15.2 35.5 15 47 A T E < -A 12 0A 45 -3,-1.7 -3,-2.7 290,-0.1 2,-0.4 -0.907 68.3-133.0-120.3 136.7 32.6 11.7 34.4 16 48 A I E -A 11 0A 0 13,-0.5 13,-2.3 -2,-0.4 2,-0.4 -0.757 23.0-161.0 -92.0 136.1 30.7 10.3 31.5 17 49 A Y E -AB 10 28A 52 -7,-3.5 -7,-2.3 -2,-0.4 2,-0.5 -0.882 12.9-155.8-114.7 140.3 28.0 7.6 32.2 18 50 A M E -AB 9 27A 42 9,-3.1 9,-2.3 -2,-0.4 2,-0.5 -0.978 20.2-165.6-110.5 124.9 26.3 5.1 29.9 19 51 A I E -AB 8 26A 3 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.9 -0.907 19.2-151.5-119.4 125.1 22.9 4.0 31.3 20 52 A N E >> -AB 7 25A 49 5,-3.1 4,-2.1 -2,-0.5 5,-0.5 -0.847 16.7-164.9 -92.7 106.6 20.9 1.1 30.1 21 53 A V T 45S+ 0 0 48 -15,-2.5 -1,-0.2 -2,-0.9 -14,-0.1 0.816 79.6 52.3 -72.0 -31.9 17.4 2.4 31.0 22 54 A T T 45S+ 0 0 121 -16,-0.5 -1,-0.2 1,-0.2 -15,-0.1 0.879 122.6 28.1 -66.6 -38.7 15.5 -0.9 30.7 23 55 A S T 45S- 0 0 59 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.587 98.5-127.5-101.2 -13.6 17.8 -2.9 33.1 24 56 A G T <5 + 0 0 52 -4,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.556 58.9 142.3 75.7 6.4 19.1 -0.1 35.3 25 57 A E E < +B 20 0A 138 -5,-0.5 -5,-3.1 -6,-0.0 2,-0.3 -0.633 24.7 177.5 -76.8 144.5 22.8 -1.0 34.7 26 58 A E E +B 19 0A 94 -7,-0.2 -7,-0.2 -2,-0.2 -9,-0.0 -0.989 7.8 178.2-148.3 136.2 25.0 2.1 34.5 27 59 A T E -B 18 0A 68 -9,-2.3 -9,-3.1 -2,-0.3 2,-0.0 -1.000 31.6-117.7-135.0 147.9 28.8 2.5 34.0 28 60 A P E -B 17 0A 60 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.370 38.5-153.7 -60.7 153.8 31.2 5.3 33.7 29 61 A I - 0 0 17 -13,-2.3 -13,-0.5 -2,-0.0 2,-0.3 -0.950 9.0-138.4-129.4 150.7 33.0 5.1 30.3 30 62 A H - 0 0 72 -2,-0.3 2,-0.6 -15,-0.1 311,-0.1 -0.780 11.0-143.1 -93.6 160.2 36.3 6.2 29.0 31 63 A L + 0 0 0 -2,-0.3 311,-2.9 309,-0.2 2,-0.9 -0.914 22.7 173.3-115.6 99.6 36.6 7.8 25.7 32 64 A F E +c 342 0B 22 -2,-0.6 35,-2.0 309,-0.2 36,-1.3 -0.836 34.2 174.4-100.0 95.1 40.0 6.5 24.3 33 65 A G E -cd 343 68B 0 309,-2.2 311,-2.1 -2,-0.9 2,-0.3 -0.554 35.4-165.7-116.5 158.3 39.3 8.1 20.9 34 66 A V E -cd 344 69B 0 34,-1.6 36,-2.4 309,-0.3 2,-0.5 -0.989 26.0-123.8-130.1 149.8 40.7 8.8 17.5 35 67 A N E - d 0 70B 0 309,-2.8 312,-3.6 -2,-0.3 313,-0.6 -0.800 21.0-170.2 -82.2 132.5 39.5 11.2 14.8 36 68 A W - 0 0 0 34,-2.0 3,-0.3 -2,-0.5 2,-0.2 -0.965 20.3-168.2-122.7 105.1 39.0 9.4 11.4 37 69 A F + 0 0 12 -2,-0.6 10,-2.6 1,-0.1 36,-0.1 -0.512 44.4 89.3-103.0 165.8 38.4 12.2 8.9 38 70 A G > + 0 0 0 8,-0.3 3,-1.9 -2,-0.2 7,-1.0 -0.074 65.7 86.7 144.7 -35.3 37.2 12.4 5.3 39 71 A F T 3 S+ 0 0 1 33,-0.5 35,-1.5 -3,-0.3 38,-0.3 0.650 90.3 57.6 -71.2 -9.5 33.4 12.8 5.5 40 72 A E T 3 S+ 0 0 4 33,-0.4 -1,-0.3 32,-0.2 33,-0.1 0.430 98.6 79.0 -93.7 9.8 34.0 16.6 5.8 41 73 A T S X S- 0 0 14 -3,-1.9 3,-1.9 4,-0.1 87,-0.2 -0.579 98.9 -98.9-109.4 170.0 36.0 16.7 2.5 42 74 A P T 3 S+ 0 0 73 0, 0.0 86,-0.1 0, 0.0 -3,-0.1 0.619 120.2 67.4 -67.2 -10.5 34.8 16.7 -1.1 43 75 A N T 3 S- 0 0 61 -5,-0.2 42,-3.0 84,-0.1 -4,-0.1 0.678 93.4-149.2 -75.8 -20.2 35.5 13.0 -1.2 44 76 A H < + 0 0 14 -3,-1.9 -5,-0.3 -6,-0.5 2,-0.3 0.834 62.5 78.3 59.3 40.8 32.5 12.5 1.2 45 77 A V S S- 0 0 4 -7,-1.0 -4,-0.1 39,-0.1 -2,-0.1 -0.912 94.2 -81.3-164.8 151.0 33.9 9.4 3.0 46 78 A V > - 0 0 1 -2,-0.3 3,-0.5 -8,-0.2 -8,-0.3 -0.259 57.5-113.8 -51.1 141.1 36.5 8.6 5.6 47 79 A H T 3 S+ 0 0 30 -10,-2.6 -1,-0.1 1,-0.2 -8,-0.1 -0.363 89.9 57.2 -75.2 156.1 40.0 8.6 3.9 48 80 A G T 3> + 0 0 12 38,-0.1 4,-2.0 -2,-0.1 -1,-0.2 0.361 62.9 115.9 108.6 0.1 42.0 5.4 3.5 49 81 A L T <4 + 0 0 3 -3,-0.5 39,-2.6 1,-0.2 42,-0.2 0.267 69.1 65.0 -88.7 12.3 39.5 3.1 1.6 50 82 A W T 4 S+ 0 0 150 37,-0.3 -1,-0.2 41,-0.1 41,-0.1 0.808 117.0 25.5 -87.5 -44.8 41.7 2.9 -1.4 51 83 A K T 4 S+ 0 0 115 -3,-0.2 2,-0.3 40,-0.0 -2,-0.2 0.711 127.5 41.3 -89.3 -24.7 44.5 1.1 0.5 52 84 A R S < S- 0 0 30 -4,-2.0 2,-0.4 40,-0.0 36,-0.2 -0.845 75.8-114.6-129.2 163.1 42.3 -0.5 3.2 53 85 A N > - 0 0 30 -2,-0.3 4,-1.7 1,-0.1 39,-0.1 -0.746 31.1-129.9 -88.3 137.5 39.0 -2.3 3.8 54 86 A W H > S+ 0 0 4 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.879 106.6 48.6 -62.5 -32.8 36.7 -0.1 6.1 55 87 A E H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 107.0 54.3 -79.2 -38.5 36.0 -3.0 8.5 56 88 A D H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 106.2 55.5 -54.4 -37.8 39.7 -4.0 8.9 57 89 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.956 107.6 46.5 -62.4 -48.4 40.3 -0.3 9.8 58 90 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.901 112.9 51.7 -58.9 -38.6 37.7 -0.5 12.7 59 91 A L H X S+ 0 0 76 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.898 110.5 47.4 -66.2 -41.1 39.2 -3.8 13.8 60 92 A Q H X S+ 0 0 33 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.930 109.4 52.4 -68.0 -47.8 42.7 -2.4 13.9 61 93 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 3,-0.8 0.961 112.9 46.1 -49.7 -55.1 41.6 0.7 15.8 62 94 A K H ><5S+ 0 0 100 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.896 107.2 57.7 -52.1 -41.6 39.9 -1.6 18.4 63 95 A S H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.736 101.3 58.4 -70.6 -20.3 43.0 -3.9 18.6 64 96 A L T <<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.438 123.5-103.7 -90.4 6.2 45.0 -0.9 19.6 65 97 A G T < 5S+ 0 0 39 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.440 75.6 135.5 94.7 -5.6 42.9 -0.2 22.6 66 98 A F < - 0 0 4 -5,-1.4 -1,-0.3 1,-0.1 -33,-0.2 -0.550 28.5-178.0 -73.6 145.4 40.8 2.7 21.3 67 99 A N + 0 0 38 -35,-2.0 50,-3.0 -2,-0.2 2,-0.3 0.212 59.4 51.4-126.9 16.8 37.1 2.6 22.0 68 100 A A E -de 33 117B 1 -36,-1.3 -34,-1.6 48,-0.3 2,-0.4 -0.999 54.5-159.8-156.8 146.1 35.8 5.7 20.4 69 101 A I E -de 34 118B 4 48,-2.4 50,-2.7 -2,-0.3 2,-0.6 -0.996 12.3-147.7-126.9 133.4 35.9 7.6 17.1 70 102 A R E -de 35 119B 0 -36,-2.4 -34,-2.0 -2,-0.4 50,-0.2 -0.898 20.5-157.3 -95.5 126.9 35.2 11.2 16.4 71 103 A L E - e 0 120B 2 48,-2.9 50,-2.2 -2,-0.6 -34,-0.1 -0.865 0.5-154.4-114.1 96.4 33.7 11.4 13.0 72 104 A P E + e 0 121B 0 0, 0.0 -33,-0.5 0, 0.0 2,-0.3 -0.391 21.1 174.4 -63.3 142.2 34.0 14.8 11.2 73 105 A F E - e 0 122B 0 48,-2.7 50,-2.1 -33,-0.1 51,-1.2 -0.968 22.1-144.2-141.4 166.3 31.3 15.5 8.6 74 106 A a E >> - e 0 124B 0 -35,-1.5 4,-0.8 -2,-0.3 3,-0.5 -0.796 38.4 -98.6-125.2 165.5 30.2 18.4 6.3 75 107 A T G >4 S+ 0 0 16 50,-0.8 3,-1.2 49,-0.8 4,-0.1 0.901 119.0 51.7 -52.4 -47.2 26.6 19.3 5.3 76 108 A E G >4 S+ 0 0 106 49,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.850 101.8 60.7 -65.0 -37.4 26.7 17.6 1.9 77 109 A S G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 -38,-0.3 -2,-0.2 0.731 104.8 49.1 -60.5 -27.8 28.0 14.3 3.3 78 110 A V G << S+ 0 0 12 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.221 92.0 92.3 -99.9 13.2 24.8 13.9 5.5 79 111 A K S X S- 0 0 82 -3,-1.5 3,-1.1 -4,-0.1 22,-0.3 -0.891 88.8-103.2 -96.7 141.3 22.3 14.7 2.7 80 112 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.269 100.8 31.1 -57.7 147.1 20.9 11.6 0.8 81 113 A G T 3 S+ 0 0 49 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.402 74.6 138.4 93.9 -6.6 22.4 11.0 -2.6 82 114 A T < - 0 0 19 -3,-1.1 18,-2.6 -6,-0.2 -1,-0.3 -0.660 48.0-135.4 -82.3 127.7 25.9 12.4 -2.2 83 115 A Q - 0 0 115 -2,-0.5 16,-0.1 16,-0.2 2,-0.1 -0.638 9.7-130.7 -89.7 136.7 28.5 10.1 -3.9 84 116 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.459 21.1-147.9 -80.9 156.4 31.7 9.1 -2.1 85 117 A I + 0 0 92 -42,-3.0 -40,-0.1 1,-0.1 -42,-0.0 -0.970 64.9 24.3-125.8 138.1 35.0 9.5 -4.1 86 118 A G S S+ 0 0 43 -2,-0.4 2,-0.4 1,-0.3 -38,-0.1 0.602 72.0 140.8 98.5 13.3 38.2 7.5 -3.9 87 119 A I - 0 0 9 -3,-0.1 2,-0.8 -37,-0.1 -1,-0.3 -0.741 48.0-138.3 -89.5 143.0 37.1 4.1 -2.6 88 120 A D >> - 0 0 25 -39,-2.6 4,-1.5 -2,-0.4 3,-0.6 -0.877 14.4-164.0 -96.8 106.6 38.6 0.9 -4.1 89 121 A Y T 34 S+ 0 0 99 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.500 84.4 65.5 -79.6 -2.9 35.6 -1.3 -4.4 90 122 A S T 34 S+ 0 0 107 2,-0.1 -1,-0.3 1,-0.1 -40,-0.1 0.859 111.0 35.6 -75.6 -43.5 37.8 -4.3 -4.8 91 123 A K T <4 S+ 0 0 96 -3,-0.6 -2,-0.2 1,-0.2 3,-0.1 0.751 132.7 34.2 -74.7 -22.5 39.0 -3.8 -1.2 92 124 A N >< + 0 0 0 -4,-1.5 3,-2.0 -39,-0.1 -1,-0.2 -0.493 66.6 154.4-127.9 58.8 35.5 -2.6 -0.2 93 125 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.847 72.0 61.7 -66.0 -25.4 33.0 -4.6 -2.3 94 126 A D T 3 0 0 62 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.566 360.0 360.0 -76.3 -0.9 30.1 -4.1 0.3 95 127 A L < 0 0 4 -3,-2.0 3,-2.3 -6,-0.1 -1,-0.3 0.567 360.0 360.0 -95.1 360.0 30.4 -0.3 -0.3 96 ! 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 97 129 A G 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 4.3 26.5 1.6 -4.9 98 130 A L - 0 0 40 -3,-2.3 2,-0.1 1,-0.1 -3,-0.0 -0.649 360.0-135.1 -91.6 148.4 26.2 3.2 -1.4 99 131 A D > - 0 0 20 -2,-0.3 4,-2.3 -16,-0.1 5,-0.2 -0.351 35.3 -96.4 -85.5 176.8 25.9 7.0 -0.8 100 132 A S H > S+ 0 0 0 -18,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 125.2 51.6 -65.2 -39.1 28.0 8.7 1.9 101 133 A L H > S+ 0 0 3 -22,-0.3 4,-2.8 -19,-0.2 -1,-0.2 0.927 109.6 50.1 -60.8 -43.3 25.1 8.6 4.4 102 134 A Q H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 112.0 48.2 -62.0 -38.6 24.7 4.8 3.8 103 135 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.929 109.8 51.4 -66.4 -42.2 28.4 4.4 4.3 104 136 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.938 111.9 48.3 -57.6 -44.1 28.4 6.5 7.5 105 137 A E H X S+ 0 0 36 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.941 111.3 49.7 -64.4 -43.2 25.5 4.3 8.8 106 138 A K H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.918 112.5 46.7 -61.0 -47.5 27.3 1.1 7.9 107 139 A I H X S+ 0 0 3 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.930 113.6 47.2 -62.9 -41.6 30.5 2.2 9.6 108 140 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.914 111.6 51.1 -70.7 -38.5 28.7 3.4 12.8 109 141 A K H X S+ 0 0 114 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.949 113.6 46.3 -60.3 -43.9 26.6 0.2 13.0 110 142 A K H X S+ 0 0 48 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.933 109.4 51.8 -65.3 -43.9 29.8 -1.8 12.7 111 143 A A H X>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 4,-0.6 0.937 109.8 52.5 -56.5 -42.9 31.7 0.3 15.3 112 144 A G H ><5S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.948 105.0 52.7 -63.1 -37.8 28.7 -0.4 17.6 113 145 A D H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.8 48.1 -62.2 -29.8 29.0 -4.2 17.0 114 146 A L H 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.460 121.7-108.3 -92.4 -0.4 32.6 -3.8 18.0 115 147 A G T <<5 + 0 0 34 -3,-1.6 2,-0.6 -4,-0.6 -3,-0.2 0.794 68.1 148.7 80.6 26.1 31.8 -1.7 21.1 116 148 A I < - 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