==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-09 3A3J . COMPND 2 MOLECULE: PBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR F.KAWAI,D.I.ROPER,S.-Y.PARK,J.R.H.TAME . 344 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 24.4 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 . 2 0.6 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 . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 0 0 0 0 1 1 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 2 1 3 1 1 1 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 . 4 0 0 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 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 30 A G 0 0 118 0, 0.0 2,-0.0 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 120.8 16.1 45.3 40.7 2 31 A V - 0 0 86 1,-0.2 250,-0.0 250,-0.1 0, 0.0 -0.074 360.0 -46.3 -86.1-167.4 12.9 44.5 38.9 3 32 A T - 0 0 116 1,-0.0 -1,-0.2 -2,-0.0 3,-0.1 -0.498 54.4-141.5 -71.0 119.6 12.4 41.8 36.3 4 33 A P - 0 0 64 0, 0.0 241,-0.1 0, 0.0 20,-0.0 -0.488 30.9-103.5 -66.5 147.5 15.2 41.6 33.7 5 34 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 240,-0.0 -0.275 31.4-106.2 -73.1 166.0 13.9 40.8 30.2 6 35 A Q - 0 0 164 -3,-0.1 2,-0.4 2,-0.0 238,-0.0 -0.858 43.5-165.9 -92.0 122.2 14.3 37.4 28.7 7 36 A I - 0 0 9 -2,-0.6 2,-1.1 2,-0.1 234,-0.0 -0.906 21.7-140.1-122.4 129.5 17.1 37.7 26.1 8 37 A T + 0 0 73 -2,-0.4 2,-0.3 229,-0.2 233,-0.1 -0.774 64.3 100.4 -88.5 93.3 18.0 35.2 23.4 9 38 A A S S- 0 0 15 -2,-1.1 222,-0.2 223,-0.1 223,-0.2 -0.920 72.6-125.8-171.4 149.2 21.8 35.4 23.4 10 39 A Q S S+ 0 0 87 220,-1.3 2,-0.3 221,-0.5 221,-0.2 0.889 97.0 1.1 -69.8 -32.9 24.7 33.4 24.7 11 40 A T E S+A 230 0A 0 219,-1.7 219,-2.9 -3,-0.1 2,-0.3 -0.964 71.6 157.8-152.7 150.9 26.1 36.5 26.5 12 41 A Y E -AB 229 26A 20 14,-2.0 14,-2.1 -2,-0.3 2,-0.3 -0.965 16.4-163.6-171.4 163.1 25.1 40.1 26.9 13 42 A V E -AB 228 25A 0 215,-2.3 215,-2.5 -2,-0.3 2,-0.4 -0.990 4.6-161.8-149.9 148.8 25.5 43.2 29.0 14 43 A L E +AB 227 24A 0 10,-1.8 9,-1.3 -2,-0.3 10,-1.0 -0.994 22.1 172.5-128.0 140.8 23.6 46.4 29.3 15 44 A M E -AB 226 22A 13 211,-2.3 211,-2.1 -2,-0.4 2,-0.4 -1.000 36.5-116.0-151.9 139.2 25.4 49.4 30.9 16 45 A D E > -A 225 0A 0 5,-2.0 4,-2.0 -2,-0.3 209,-0.2 -0.673 24.0-146.4 -73.9 129.6 24.7 53.1 31.5 17 46 A Y T 4 S+ 0 0 33 207,-2.9 -1,-0.2 -2,-0.4 208,-0.1 0.830 92.3 48.3 -64.5 -33.5 27.4 55.0 29.7 18 47 A N T 4 S+ 0 0 46 206,-0.6 -1,-0.2 1,-0.2 269,-0.1 0.855 124.4 23.4 -88.8 -25.4 27.6 57.8 32.2 19 48 A S T 4 S- 0 0 36 2,-0.1 -2,-0.2 267,-0.1 -1,-0.2 0.582 93.1-130.5-116.9 -19.5 27.9 55.9 35.5 20 49 A G < + 0 0 39 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.481 53.2 150.7 83.9 5.8 29.3 52.6 34.2 21 50 A A - 0 0 41 -5,-0.1 -5,-2.0 1,-0.1 2,-0.8 -0.473 47.5-129.6 -76.5 139.3 26.7 50.6 36.1 22 51 A I E -B 15 0A 58 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.760 20.9-172.8 -85.4 109.4 25.6 47.2 34.7 23 52 A L E - 0 0 22 -9,-1.3 2,-0.3 -2,-0.8 -1,-0.2 0.841 70.0 -12.3 -73.5 -35.4 21.8 47.2 34.6 24 53 A T E S+B 14 0A 20 -10,-1.0 -10,-1.8 -20,-0.0 2,-0.3 -0.957 70.2 174.2-157.6 159.8 21.5 43.6 33.6 25 54 A A E -B 13 0A 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.969 23.0-157.7-165.8 153.4 23.9 40.8 32.2 26 55 A L E S-B 12 0A 67 -14,-2.1 -14,-2.0 -2,-0.3 125,-0.1 -0.953 87.3 -23.6-137.4 120.8 24.4 37.1 31.3 27 56 A N S > S+ 0 0 71 -2,-0.3 3,-1.0 -16,-0.2 124,-0.4 0.877 75.5 173.2 42.4 56.4 28.0 35.7 31.3 28 57 A P T 3 S+ 0 0 29 0, 0.0 124,-2.6 0, 0.0 125,-0.5 0.680 75.3 40.6 -65.1 -22.7 29.4 39.2 30.9 29 58 A D T 3 S+ 0 0 66 122,-0.2 2,-0.1 121,-0.1 -2,-0.1 0.365 84.1 120.4-109.8 -0.5 33.0 38.0 31.4 30 59 A Q S < S- 0 0 81 -3,-1.0 121,-0.4 1,-0.1 2,-0.2 -0.426 71.4-110.6 -66.0 134.7 32.7 34.8 29.4 31 60 A R + 0 0 124 119,-0.1 2,-0.3 -2,-0.1 119,-0.2 -0.494 42.4 176.2 -74.4 135.7 35.2 34.8 26.4 32 61 A Q B -E 149 0B 9 117,-3.2 117,-2.4 -2,-0.2 3,-0.0 -0.963 40.2-101.0-137.7 148.4 33.7 35.0 22.9 33 62 A Y - 0 0 54 -2,-0.3 115,-0.2 115,-0.2 110,-0.1 -0.602 32.8-153.8 -66.6 120.5 35.1 35.3 19.4 34 63 A P > + 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.783 21.2 177.4 -77.7 -26.1 34.7 39.0 18.7 35 64 A A G > S- 0 0 5 106,-0.5 3,-2.0 1,-0.3 4,-0.2 -0.275 73.9 -6.3 59.9-145.6 34.5 38.7 14.9 36 65 A S G > S+ 0 0 22 1,-0.3 3,-1.2 169,-0.2 -1,-0.3 0.564 119.9 80.2 -61.7 -4.2 33.9 42.2 13.5 37 66 A L G X> S+ 0 0 0 -3,-2.4 3,-2.4 1,-0.3 4,-0.7 0.842 79.0 76.7 -70.7 -18.3 33.6 43.9 16.9 38 67 A T H X> S+ 0 0 0 -3,-2.0 4,-1.9 1,-0.3 3,-0.8 0.874 80.8 67.8 -49.4 -38.3 37.4 43.7 16.7 39 68 A K H <> S+ 0 0 2 -3,-1.2 4,-2.4 101,-0.4 -1,-0.3 0.651 85.5 67.7 -60.2 -21.9 37.1 46.7 14.4 40 69 A M H <> S+ 0 0 0 -3,-2.4 4,-1.8 -4,-0.3 -1,-0.2 0.944 103.8 43.6 -60.5 -48.2 36.0 48.9 17.2 41 70 A M H S+ 0 0 10 -4,-2.6 5,-1.7 -5,-0.3 6,-1.0 0.914 111.9 45.0 -60.6 -41.6 46.3 58.5 16.1 50 79 A L H ><5S+ 0 0 36 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.851 112.5 52.3 -64.2 -39.8 44.2 61.1 14.3 51 80 A K H 3<5S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 110.3 47.2 -65.7 -42.1 43.5 62.9 17.6 52 81 A Q T 3<5S- 0 0 103 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.399 113.0-116.6 -79.3 2.8 47.2 63.1 18.5 53 82 A G T < 5S+ 0 0 38 -3,-0.9 -3,-0.2 2,-0.2 -4,-0.1 0.546 79.8 124.6 75.4 9.8 48.2 64.4 15.0 54 83 A K S - 0 0 104 -2,-0.3 3,-1.7 1,-0.1 32,-0.3 -0.925 23.0-121.5-128.9 147.8 45.9 62.9 9.2 57 86 A N T 3 S+ 0 0 77 -2,-0.3 32,-2.1 1,-0.3 31,-0.5 0.773 113.7 59.6 -57.0 -29.3 42.6 62.1 7.4 58 87 A T T 3 S+ 0 0 112 30,-0.2 -1,-0.3 29,-0.2 29,-0.0 0.551 73.3 124.4 -80.6 -2.8 44.2 63.5 4.3 59 88 A D < - 0 0 42 -3,-1.7 29,-1.7 28,-0.1 2,-0.5 -0.348 57.4-142.0 -55.2 132.0 47.0 61.0 4.3 60 89 A M E -F 87 0C 101 27,-0.2 2,-0.4 28,-0.1 27,-0.2 -0.882 17.5-158.9 -96.3 122.5 46.9 59.1 0.9 61 90 A V E -F 86 0C 12 25,-2.4 25,-2.6 -2,-0.5 2,-0.4 -0.911 12.3-128.3-109.1 135.3 47.7 55.5 1.5 62 91 A T E -F 85 0C 86 -2,-0.4 2,-0.6 23,-0.2 23,-0.2 -0.647 16.2-140.1 -84.6 126.0 49.1 53.2 -1.3 63 92 A I + 0 0 1 21,-3.3 20,-2.5 -2,-0.4 21,-0.3 -0.745 31.8 166.2 -85.6 125.8 47.2 50.0 -1.7 64 93 A G >> - 0 0 34 -2,-0.6 4,-1.0 18,-0.2 3,-0.8 -0.558 56.5 -64.3-125.5-172.0 49.7 47.1 -2.5 65 94 A E T 34 S+ 0 0 132 1,-0.2 6,-0.1 -2,-0.2 17,-0.1 0.677 128.1 52.2 -53.9 -23.2 49.1 43.3 -2.4 66 95 A S T 34 S+ 0 0 53 1,-0.2 -1,-0.2 39,-0.1 40,-0.1 0.860 115.2 40.3 -88.7 -26.4 48.3 42.9 1.4 67 96 A A T <4 S+ 0 0 2 -3,-0.8 13,-0.3 38,-0.1 39,-0.2 0.546 89.7 123.8 -88.9 -5.2 45.6 45.6 1.5 68 97 A W >< - 0 0 51 -4,-1.0 3,-2.5 1,-0.1 13,-0.2 -0.291 69.0-129.4 -62.8 126.9 44.2 44.5 -1.9 69 98 A G G > S+ 0 0 5 11,-3.2 3,-2.7 1,-0.3 -1,-0.1 0.843 102.2 74.9 -44.5 -34.6 40.5 43.6 -1.8 70 99 A R G 3 S+ 0 0 154 10,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.779 85.4 62.0 -54.8 -28.2 41.4 40.3 -3.6 71 100 A N G < S+ 0 0 68 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.398 98.5 57.4 -78.6 7.0 42.8 38.9 -0.4 72 101 A F X + 0 0 24 -3,-2.7 3,-1.0 -4,-0.2 -1,-0.2 -0.550 66.2 156.3-129.5 63.3 39.5 39.1 1.4 73 102 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.834 72.5 26.3 -63.9 -43.4 37.4 37.0 -1.0 74 103 A D T 3 S+ 0 0 161 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.255 113.8 68.6-112.3 37.4 34.5 35.7 1.2 75 104 A S S < S- 0 0 53 -3,-1.0 -3,-0.1 0, 0.0 25,-0.0 -0.949 91.3 -63.0-154.8 172.3 34.4 38.5 3.9 76 105 A S + 0 0 44 -2,-0.3 25,-2.9 24,-0.1 2,-0.3 -0.232 57.9 158.5 -74.0 148.7 33.5 42.2 4.2 77 106 A K - 0 0 29 23,-0.3 23,-0.2 24,-0.2 -1,-0.0 -0.993 50.2-133.8-163.2 155.7 35.5 44.7 2.3 78 107 A M - 0 0 2 -2,-0.3 104,-0.2 100,-0.0 -1,-0.1 0.451 56.9-113.0 -96.3 1.2 35.6 48.1 0.9 79 108 A F - 0 0 69 1,-0.2 2,-0.4 -10,-0.1 -11,-0.1 0.925 40.9-172.6 64.6 52.2 36.9 46.9 -2.5 80 109 A L - 0 0 0 -13,-0.3 -11,-3.2 1,-0.0 -10,-0.3 -0.593 14.4-141.7 -74.5 124.5 40.5 48.5 -2.4 81 110 A D > - 0 0 70 -2,-0.4 3,-1.3 -13,-0.2 -18,-0.2 -0.692 23.7 -97.0 -93.7 144.9 42.2 48.0 -5.8 82 111 A L T 3 S+ 0 0 61 -2,-0.3 -18,-0.2 1,-0.3 -1,-0.1 -0.201 104.1 14.6 -56.5 136.8 45.9 47.2 -6.2 83 112 A N T 3 S+ 0 0 137 -20,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.744 95.2 122.1 70.1 25.6 48.0 50.2 -6.9 84 113 A T < - 0 0 49 -3,-1.3 -21,-3.3 -21,-0.3 2,-0.4 -0.718 58.8-126.0-107.5 170.0 45.6 53.0 -6.0 85 114 A Q E -F 62 0C 109 -2,-0.3 2,-0.4 -23,-0.2 -23,-0.2 -0.965 28.5-175.8-115.3 132.2 46.0 55.7 -3.4 86 115 A V E -F 61 0C 4 -25,-2.6 -25,-2.4 -2,-0.4 -6,-0.0 -0.995 23.7-116.1-137.2 132.0 43.2 56.1 -0.7 87 116 A S E > -F 60 0C 19 -2,-0.4 4,-2.6 -27,-0.2 -27,-0.2 -0.203 20.4-123.7 -69.9 152.3 42.7 58.6 2.0 88 117 A V H > S+ 0 0 0 -29,-1.7 4,-2.9 -31,-0.5 5,-0.3 0.923 113.5 59.9 -59.3 -40.0 42.8 57.7 5.7 89 118 A A H > S+ 0 0 23 -32,-2.1 4,-2.8 1,-0.2 5,-0.3 0.960 108.7 43.0 -52.5 -50.8 39.2 59.3 5.9 90 119 A D H > S+ 0 0 51 -33,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.927 114.4 50.3 -63.4 -42.2 37.9 56.8 3.4 91 120 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.928 113.7 43.0 -62.6 -48.1 39.7 53.9 4.9 92 121 A N H X S+ 0 0 2 -4,-2.9 4,-3.5 2,-0.2 5,-0.2 0.956 113.3 52.0 -63.3 -46.8 38.5 54.6 8.4 93 122 A R H X>S+ 0 0 72 -4,-2.8 4,-3.1 -5,-0.3 5,-0.6 0.946 110.4 51.3 -54.0 -42.9 34.9 55.3 7.2 94 123 A G H X5S+ 0 0 0 -4,-2.9 6,-2.2 -5,-0.3 4,-0.9 0.853 111.8 44.3 -67.4 -40.1 35.2 52.0 5.4 95 124 A V H X5S+ 0 0 0 -4,-2.0 4,-1.0 4,-0.3 -1,-0.2 0.926 120.7 41.9 -60.2 -50.9 36.3 50.1 8.6 96 125 A I H <5S+ 0 0 3 -4,-3.5 -2,-0.2 2,-0.2 -3,-0.2 0.980 124.4 30.9 -66.8 -54.2 33.6 51.9 10.7 97 126 A V H <5S+ 0 0 3 -4,-3.1 90,-0.6 -5,-0.2 -3,-0.2 0.919 137.8 16.1 -74.9 -43.2 30.5 51.8 8.3 98 127 A V H < - 0 0 0 -6,-2.2 4,-1.3 -9,-0.2 -23,-0.3 -0.508 12.4-165.7 -67.3 114.8 36.1 46.7 5.3 101 130 A N H > S+ 0 0 16 -25,-2.9 4,-1.5 -2,-0.5 -24,-0.2 0.876 91.4 49.8 -65.8 -37.1 38.8 43.9 6.0 102 131 A D H > S+ 0 0 0 -26,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.906 108.2 55.4 -67.9 -41.6 41.1 45.3 3.3 103 132 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.827 104.2 53.1 -61.7 -32.5 40.7 48.8 4.8 104 133 A T H X S+ 0 0 0 -4,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.883 109.7 46.7 -73.3 -38.4 41.8 47.6 8.2 105 134 A V H X S+ 0 0 11 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.955 111.3 53.0 -63.1 -47.3 45.1 46.1 6.8 106 135 A A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.891 114.5 41.9 -53.5 -46.7 45.7 49.2 4.8 107 136 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.909 110.7 54.4 -67.3 -46.5 45.3 51.3 8.1 108 137 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 6,-0.3 0.919 112.7 44.5 -52.0 -48.2 47.2 49.0 10.3 109 138 A E H X S+ 0 0 64 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.881 112.2 51.7 -66.6 -38.9 50.2 49.2 7.9 110 139 A H H < S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.878 119.5 35.1 -65.1 -33.5 49.9 52.9 7.4 111 140 A I H < S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.879 135.2 20.8 -89.1 -44.4 50.0 53.6 11.2 112 141 A S H < S- 0 0 32 -4,-3.2 2,-0.7 -5,-0.3 -3,-0.2 0.442 95.4-119.9-111.6 2.3 52.3 50.9 12.4 113 142 A G S < S+ 0 0 65 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.2 -0.155 92.3 22.8 83.3 -39.9 54.4 49.9 9.3 114 143 A N S > S- 0 0 61 -2,-0.7 4,-1.4 -6,-0.3 -2,-0.1 -0.939 82.9-109.1-144.5-178.8 53.1 46.4 9.5 115 144 A V H > S+ 0 0 31 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.920 109.3 54.2 -81.0 -46.8 50.1 44.4 11.0 116 145 A P H > S+ 0 0 88 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.902 111.6 47.8 -54.3 -35.1 51.7 42.5 13.9 117 146 A N H >> S+ 0 0 94 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.938 111.0 50.3 -73.9 -39.7 53.0 45.8 15.3 118 147 A F H >X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.3 3,-0.6 0.887 104.8 57.5 -60.0 -40.9 49.6 47.5 14.9 119 148 A V H 3X S+ 0 0 10 -4,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.759 99.7 60.0 -60.4 -27.7 47.9 44.7 16.7 120 149 A E H X S+ 0 0 105 -4,-2.0 4,-2.5 1,-0.2 3,-1.0 0.971 107.1 45.2 -53.2 -53.4 48.3 48.2 24.6 125 154 A Y H 3X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.3 -2,-0.2 0.780 103.1 63.4 -69.5 -25.8 44.8 49.8 24.8 126 155 A V H 3<>S+ 0 0 3 -4,-1.2 5,-2.3 2,-0.2 -1,-0.3 0.903 111.3 39.1 -58.3 -41.7 43.4 46.5 26.1 127 156 A Q H X<5S+ 0 0 135 -4,-1.4 3,-1.1 -3,-1.0 -2,-0.2 0.887 114.4 52.4 -75.0 -45.5 45.7 47.0 29.2 128 157 A Q H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.844 108.1 50.5 -67.4 -30.8 45.2 50.6 29.4 129 158 A F T 3<5S- 0 0 20 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.569 114.0-117.6 -77.3 -10.9 41.3 50.2 29.4 130 159 A G T < 5 + 0 0 62 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.800 54.4 162.7 80.3 34.0 41.7 47.6 32.2 131 160 A L < - 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