==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-13 3W6M . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-W.KIM,K.ISHIKAWA . 1128 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 91 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 4 3 0 2 3 0 4 0 0 0 3 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 0 12 3 0 0 3 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 . 6 0 1 2 0 3 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 3 0 0 0 0 0 2 1 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 34 A Q 0 0 161 0, 0.0 5,-0.0 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -35.4 25.7 24.1 43.7 2 35 A T - 0 0 27 210,-0.1 3,-0.3 5,-0.1 5,-0.1 -0.839 360.0-157.5-166.3 132.5 22.5 23.4 45.7 3 36 A P S S+ 0 0 86 0, 0.0 155,-0.1 0, 0.0 4,-0.1 0.521 101.2 46.1 -83.8 -5.7 18.8 24.4 45.7 4 37 A T S S- 0 0 39 2,-0.4 3,-0.1 151,-0.1 154,-0.1 0.503 109.1-115.0-108.7 -8.8 18.4 23.4 49.4 5 38 A G S S+ 0 0 21 -3,-0.3 15,-2.3 1,-0.3 16,-0.4 0.310 88.6 103.9 84.1 -8.3 21.5 25.1 50.8 6 39 A I E -A 19 0A 25 13,-0.2 2,-0.4 14,-0.1 -2,-0.4 -0.897 51.0-170.3-109.7 136.9 22.7 21.6 51.7 7 40 A Y E -A 18 0A 29 11,-2.6 11,-2.9 -2,-0.4 2,-0.4 -0.992 8.3-152.3-128.9 128.2 25.4 19.7 49.7 8 41 A Y E +A 17 0A 0 205,-2.2 2,-0.3 -2,-0.4 9,-0.2 -0.830 24.8 158.3 -98.8 137.5 26.3 16.1 50.1 9 42 A E E -A 16 0A 31 7,-2.0 7,-3.6 -2,-0.4 2,-0.5 -0.985 36.1-121.6-151.4 162.6 29.8 14.8 49.3 10 43 A V E -A 15 0A 9 247,-2.3 2,-0.5 -2,-0.3 5,-0.2 -0.892 19.2-174.1-103.5 134.1 32.2 12.0 49.9 11 44 A R E > -A 14 0A 59 3,-2.8 3,-1.9 -2,-0.5 2,-0.3 -0.975 69.6 -42.1-125.8 115.6 35.6 12.7 51.4 12 45 A G T 3 S- 0 0 23 -2,-0.5 292,-0.3 1,-0.2 748,-0.1 -0.491 123.8 -27.1 64.5-125.8 37.7 9.5 51.5 13 46 A D T 3 S+ 0 0 19 -2,-0.3 2,-0.4 290,-0.1 292,-0.4 0.159 121.4 90.6-106.2 20.9 35.3 6.7 52.7 14 47 A T E < -A 11 0A 21 -3,-1.9 -3,-2.8 290,-0.1 2,-0.4 -0.922 68.4-133.1-120.9 142.0 33.0 9.0 54.6 15 48 A I E -AB 10 28A 0 13,-0.6 13,-2.9 -2,-0.4 2,-0.3 -0.763 25.6-163.1 -91.9 133.8 29.8 10.9 53.6 16 49 A Y E -AB 9 27A 10 -7,-3.6 -7,-2.0 -2,-0.4 2,-0.5 -0.888 16.2-147.5-118.4 150.8 29.5 14.5 54.6 17 50 A M E -AB 8 26A 39 9,-2.9 9,-2.0 -2,-0.3 2,-0.5 -0.972 22.3-164.5-111.7 122.7 26.6 17.0 54.8 18 51 A I E -AB 7 25A 16 -11,-2.9 -11,-2.6 -2,-0.5 2,-0.8 -0.919 19.6-149.8-115.5 130.2 27.7 20.5 54.1 19 52 A N E > -A 6 0A 64 5,-2.9 4,-2.4 -2,-0.5 5,-0.4 -0.877 18.6-157.9 -91.2 108.8 25.8 23.7 54.8 20 53 A V T 4 S+ 0 0 52 -15,-2.3 -1,-0.2 -2,-0.8 -14,-0.1 0.816 83.9 47.2 -66.9 -29.4 27.0 25.8 51.9 21 54 A T T 4 S+ 0 0 129 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.939 121.1 33.4 -75.8 -50.2 26.3 29.2 53.5 22 55 A S T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.726 100.4-133.5 -77.2 -23.7 27.7 28.6 57.0 23 56 A G < + 0 0 44 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.498 51.6 153.6 80.8 3.8 30.4 26.4 55.5 24 57 A E - 0 0 135 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.4 -0.481 26.0-164.7 -70.3 132.4 29.7 23.8 58.3 25 58 A E E -B 18 0A 91 -7,-0.2 -7,-0.2 -2,-0.2 -9,-0.0 -0.948 7.5-177.4-118.1 138.4 30.6 20.2 57.4 26 59 A T E -B 17 0A 62 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.3 -0.997 24.3-132.0-134.4 126.6 29.3 17.2 59.4 27 60 A P E -B 16 0A 69 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.630 31.6-158.7 -72.5 137.5 30.3 13.6 58.7 28 61 A I E -B 15 0A 17 -13,-2.9 -13,-0.6 -2,-0.3 2,-0.3 -0.873 12.7-150.3-119.2 153.3 27.1 11.5 58.7 29 62 A H - 0 0 82 -2,-0.3 2,-0.7 -15,-0.1 311,-0.1 -0.881 15.1-137.2-112.6 151.4 26.4 7.8 59.2 30 63 A L + 0 0 0 -2,-0.3 311,-2.9 309,-0.1 2,-0.9 -0.917 21.0 177.5-113.2 103.7 23.4 6.1 57.5 31 64 A F E +c 341 0B 25 -2,-0.7 35,-2.4 309,-0.2 36,-1.1 -0.862 36.1 173.5-100.5 92.6 21.7 3.7 59.9 32 65 A G E -cd 342 67B 0 309,-2.3 311,-2.5 -2,-0.9 2,-0.3 -0.606 36.1-164.3-117.1 161.7 19.0 2.7 57.4 33 66 A V E -cd 343 68B 0 34,-1.6 36,-2.2 309,-0.3 2,-0.5 -0.982 25.8-124.2-133.6 147.8 16.1 0.5 56.5 34 67 A N E - d 0 69B 0 309,-2.7 312,-3.4 -2,-0.3 313,-0.6 -0.829 21.5-172.2 -84.1 126.5 14.3 -0.2 53.2 35 68 A W - 0 0 0 34,-1.9 3,-0.3 -2,-0.5 2,-0.2 -0.938 19.9-171.2-116.9 104.8 10.6 0.5 53.3 36 69 A F + 0 0 14 -2,-0.6 10,-2.6 1,-0.1 36,-0.1 -0.529 42.2 92.2-102.6 163.5 9.3 -0.8 50.0 37 70 A G > + 0 0 0 8,-0.3 3,-1.4 -2,-0.2 7,-1.0 -0.047 65.8 84.9 149.6 -35.9 6.0 -0.6 48.1 38 71 A F T 3 S+ 0 0 0 33,-0.5 35,-1.0 5,-0.3 38,-0.2 0.702 93.8 53.5 -64.0 -18.5 6.2 2.4 45.8 39 72 A E T 3 S+ 0 0 4 33,-0.3 -1,-0.3 32,-0.2 33,-0.1 0.568 101.7 75.0 -91.7 -8.6 7.9 0.0 43.3 40 73 A T S X S- 0 0 12 -3,-1.4 3,-1.7 31,-0.1 87,-0.2 -0.398 101.8 -96.8 -96.6 173.7 5.1 -2.5 43.5 41 74 A a T 3 S+ 0 0 63 85,-0.6 -3,-0.1 1,-0.3 86,-0.1 0.560 119.2 73.3 -74.1 -2.8 1.6 -2.3 41.9 42 75 A N T 3 S- 0 0 42 -5,-0.3 42,-2.5 84,-0.1 -1,-0.3 0.811 90.3-152.5 -68.0 -29.9 0.3 -1.1 45.3 43 76 A H < + 0 0 23 -3,-1.7 -5,-0.3 -6,-0.7 2,-0.3 0.843 64.6 73.2 54.8 37.9 2.1 2.1 44.3 44 77 A V S S- 0 0 3 -7,-1.0 -4,-0.1 39,-0.1 -1,-0.1 -0.922 99.2 -78.9-166.6 149.4 2.7 3.0 47.9 45 78 A V > - 0 0 1 -2,-0.3 3,-0.6 -8,-0.2 -8,-0.3 -0.246 61.1-109.7 -47.4 140.2 4.9 1.8 50.8 46 79 A H T 3 S+ 0 0 12 -10,-2.6 -1,-0.1 1,-0.2 -8,-0.1 -0.318 90.1 50.5 -75.0 160.1 3.3 -1.4 52.2 47 80 A G T >> + 0 0 0 38,-0.2 4,-2.6 -10,-0.1 3,-2.1 0.273 64.3 116.1 101.1 -9.4 1.6 -1.7 55.6 48 81 A L T <4 S+ 0 0 1 -3,-0.6 39,-2.5 1,-0.3 42,-0.2 0.488 70.0 67.7 -74.5 0.9 -0.8 1.2 55.4 49 82 A W T 34 S+ 0 0 100 37,-0.3 -1,-0.3 1,-0.1 37,-0.1 0.584 117.1 24.5 -83.7 -13.5 -3.6 -1.4 55.5 50 83 A K T <4 S+ 0 0 75 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.632 126.0 36.4-120.7 -29.1 -2.5 -2.1 59.1 51 84 A R S < S- 0 0 34 -4,-2.6 2,-0.3 40,-0.0 36,-0.2 -0.892 76.0-107.0-130.8 157.4 -0.7 1.1 60.3 52 85 A N > - 0 0 29 -2,-0.3 4,-1.7 1,-0.1 39,-0.1 -0.669 33.8-130.5 -75.5 137.0 -0.8 4.8 60.1 53 86 A W H > S+ 0 0 2 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.829 105.3 48.3 -64.2 -36.3 2.1 6.1 57.9 54 87 A E H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 107.7 55.1 -70.9 -40.2 3.4 8.6 60.4 55 88 A D H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.867 106.7 53.2 -57.6 -37.7 3.3 6.1 63.3 56 89 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.950 109.1 46.9 -63.6 -48.6 5.5 3.9 61.1 57 90 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.902 112.4 51.1 -59.5 -41.7 8.1 6.7 60.6 58 91 A L H X S+ 0 0 82 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.902 109.7 49.9 -62.7 -41.0 8.0 7.4 64.3 59 92 A Q H X S+ 0 0 36 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.927 108.8 51.6 -64.7 -43.9 8.6 3.7 65.1 60 93 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 3,-0.6 0.939 113.3 45.4 -57.0 -47.3 11.5 3.6 62.7 61 94 A K H ><5S+ 0 0 69 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.903 105.7 60.5 -62.0 -40.1 13.0 6.6 64.4 62 95 A S H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 100.6 56.3 -61.8 -24.3 12.3 5.2 67.8 63 96 A L T <<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.466 123.6-103.6 -87.7 -2.5 14.6 2.2 66.9 64 97 A G T < 5S+ 0 0 33 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.500 72.0 142.9 94.8 4.9 17.5 4.6 66.1 65 98 A F < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 -33,-0.2 -0.506 24.7-179.8 -69.7 146.7 17.4 4.5 62.3 66 99 A N + 0 0 17 -35,-2.4 50,-2.8 -2,-0.2 2,-0.3 0.146 60.5 53.4-132.1 18.1 18.2 7.8 60.6 67 100 A A E -de 32 116B 0 -36,-1.1 -34,-1.6 48,-0.3 2,-0.4 -0.994 55.2-162.8-154.9 145.0 17.8 6.8 57.0 68 101 A I E -de 33 117B 3 48,-2.5 50,-2.6 -2,-0.3 2,-0.5 -0.996 11.6-149.4-131.3 129.5 15.3 5.2 54.6 69 102 A R E -de 34 118B 0 -36,-2.2 -34,-1.9 -2,-0.4 50,-0.2 -0.875 19.3-160.2 -93.8 128.1 15.9 3.7 51.2 70 103 A L E - e 0 119B 2 48,-2.9 50,-2.1 -2,-0.5 -34,-0.1 -0.873 2.6-154.2-119.8 97.2 12.8 4.2 49.2 71 104 A P E + e 0 120B 0 0, 0.0 -33,-0.5 0, 0.0 2,-0.3 -0.405 21.8 175.1 -61.4 142.4 12.3 1.9 46.1 72 105 A F E - e 0 121B 0 48,-2.3 50,-2.3 -34,-0.2 51,-1.3 -0.944 22.0-141.2-140.6 166.4 10.1 3.4 43.4 73 106 A C E > - e 0 123B 0 -35,-1.0 4,-0.9 -2,-0.3 3,-0.4 -0.797 37.6 -97.9-120.3 170.7 8.9 2.5 39.9 74 107 A T T >4 S+ 0 0 13 50,-1.0 3,-1.0 49,-0.8 51,-0.1 0.911 120.4 46.4 -55.7 -47.3 8.4 4.8 37.0 75 108 A E G >4 S+ 0 0 49 49,-0.4 3,-1.4 1,-0.3 6,-0.3 0.804 102.0 65.3 -73.1 -26.6 4.6 5.3 37.4 76 109 A S G 34 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 27,-0.2 0.772 103.1 48.0 -65.2 -25.4 4.8 5.9 41.1 77 110 A V G << S+ 0 0 11 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.289 96.2 87.6 -99.6 9.3 6.7 9.1 40.5 78 111 A K S X S- 0 0 72 -3,-1.4 3,-1.1 -4,-0.1 22,-0.4 -0.854 87.6-103.4-104.4 144.3 4.4 10.5 37.8 79 112 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.296 100.0 35.7 -60.4 148.7 1.3 12.5 38.7 80 113 A G T 3 S+ 0 0 54 1,-0.3 2,-0.6 -4,-0.1 -4,-0.1 0.353 74.3 129.9 96.5 -4.8 -2.0 10.7 38.6 81 114 A T < - 0 0 27 -3,-1.1 18,-3.3 -6,-0.3 19,-0.3 -0.749 49.1-142.5 -86.9 123.4 -1.1 7.2 39.7 82 115 A Q - 0 0 113 -2,-0.6 16,-0.1 16,-0.2 2,-0.1 -0.665 9.6-126.7 -90.6 134.7 -3.5 6.0 42.4 83 116 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.422 21.3-147.1 -72.9 154.5 -2.3 3.9 45.4 84 117 A I + 0 0 101 -42,-2.5 -40,-0.1 1,-0.1 0, 0.0 -0.935 65.6 23.2-119.0 142.8 -4.0 0.7 46.2 85 118 A G S S+ 0 0 40 -2,-0.4 2,-0.4 1,-0.3 -38,-0.2 0.793 71.4 145.9 83.8 30.9 -4.6 -1.0 49.6 86 119 A I - 0 0 20 -3,-0.2 2,-1.0 -37,-0.1 -37,-0.3 -0.829 47.2-135.9 -99.5 138.0 -4.5 1.8 52.1 87 120 A D >> - 0 0 49 -39,-2.5 4,-0.9 -2,-0.4 3,-0.9 -0.832 19.6-169.3 -88.8 101.8 -6.8 1.8 55.2 88 121 A Y T 34 S+ 0 0 64 -2,-1.0 7,-0.2 1,-0.3 6,-0.2 0.643 79.8 67.6 -73.5 -12.9 -8.0 5.4 55.1 89 122 A S T 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 -37,-0.1 0.866 111.3 35.1 -68.1 -36.8 -9.5 5.1 58.6 90 123 A K T <4 S+ 0 0 93 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.605 129.5 38.3 -88.4 -13.9 -6.0 4.8 59.9 91 124 A N >< + 0 0 0 -4,-0.9 3,-2.0 -39,-0.1 4,-0.4 -0.370 65.1 151.8-133.5 54.9 -4.6 7.2 57.2 92 125 A P G > S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.822 70.8 62.0 -61.8 -32.7 -7.2 9.9 56.8 93 126 A D G 3 S+ 0 0 64 1,-0.3 -5,-0.0 -3,-0.1 -2,-0.0 0.524 98.2 59.8 -72.3 -3.3 -4.7 12.6 55.7 94 127 A L G X S+ 0 0 0 -3,-2.0 3,-2.3 -6,-0.2 -1,-0.3 0.564 75.0 123.9 -94.3 -9.9 -3.9 10.4 52.7 95 128 A R T < S+ 0 0 145 -3,-1.4 3,-0.1 -4,-0.4 0, 0.0 -0.243 81.7 8.7 -52.7 129.1 -7.4 10.5 51.3 96 129 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.547 98.3 127.8 78.0 7.2 -7.5 11.8 47.8 97 130 A L < - 0 0 35 -3,-2.3 -1,-0.3 4,-0.0 2,-0.1 -0.773 50.4-139.8 -94.9 140.1 -3.7 11.8 47.4 98 131 A D > - 0 0 20 -2,-0.4 4,-1.9 -16,-0.1 -16,-0.2 -0.344 36.4 -91.5 -84.6 179.2 -1.9 10.1 44.5 99 132 A S H > S+ 0 0 0 -18,-3.3 4,-2.4 1,-0.2 5,-0.2 0.904 124.8 51.9 -60.0 -45.3 1.3 8.1 44.8 100 133 A L H > S+ 0 0 5 -22,-0.4 4,-2.1 -19,-0.3 -1,-0.2 0.896 109.0 50.5 -59.9 -41.6 3.6 11.0 44.1 101 134 A Q H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 109.8 50.0 -66.3 -36.5 1.9 13.2 46.7 102 135 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.926 108.5 53.2 -68.5 -42.0 2.2 10.4 49.4 103 136 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 110.6 47.0 -56.1 -45.6 5.9 10.0 48.5 104 137 A E H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.905 111.5 51.4 -62.7 -42.1 6.4 13.8 49.0 105 138 A K H X S+ 0 0 83 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.921 111.9 46.7 -62.7 -42.9 4.5 13.7 52.3 106 139 A I H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.897 112.3 48.8 -66.7 -41.0 6.6 10.8 53.6 107 140 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.911 111.5 49.9 -69.2 -40.4 9.9 12.3 52.6 108 141 A K H X S+ 0 0 115 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.927 112.5 46.8 -61.0 -46.3 9.0 15.7 54.2 109 142 A K H X S+ 0 0 58 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.912 110.8 52.5 -65.4 -42.4 8.0 13.9 57.5 110 143 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.9 0.943 108.6 51.5 -52.8 -49.8 11.2 11.9 57.4 111 144 A G H ><5S+ 0 0 5 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.864 103.4 57.0 -56.8 -38.9 13.1 15.1 57.0 112 145 A D H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.780 107.9 49.4 -62.6 -26.7 11.3 16.6 60.0 113 146 A L T <<5S- 0 0 53 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.327 121.6-108.9 -93.4 4.7 12.7 13.6 62.0 114 147 A G T < 5 + 0 0 33 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.682 69.8 149.9 75.0 18.6 16.2 14.2 60.7 115 148 A I < - 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