==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-11 3URB . COMPND 2 MOLECULE: PARATHION HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR P.TSAI,N.G.FOX,Y.LI,D.P.BARONDEAU,F.M.RAUSHEL . 644 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 29 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 4.2 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 8 0 1 5 4 2 0 4 1 3 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 10 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 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 36 A R 0 0 181 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 151.1 33.8 16.2 47.3 2 37 A I E -A 9 0A 2 7,-2.9 7,-2.2 318,-0.1 2,-0.3 -0.898 360.0-125.8-106.9 131.8 31.0 18.0 45.4 3 38 A N E +A 8 0A 46 -2,-0.4 2,-0.2 5,-0.2 88,-0.2 -0.578 33.7 175.3 -80.3 128.7 31.3 18.6 41.6 4 39 A T E > -A 7 0A 4 3,-1.2 3,-1.4 -2,-0.3 125,-0.4 -0.754 48.8 -95.1-120.6 177.6 30.8 22.2 40.5 5 40 A V T 3 S+ 0 0 6 84,-2.5 85,-0.1 1,-0.3 74,-0.1 0.567 128.2 44.8 -71.7 -9.4 31.1 24.0 37.1 6 41 A R T 3 S- 0 0 139 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.268 127.5 -88.0-114.1 6.4 34.7 25.0 38.1 7 42 A G E < S-A 4 0A 25 -3,-1.4 -3,-1.2 122,-0.1 -1,-0.5 -0.651 70.1 -19.5 117.0-175.7 35.6 21.6 39.4 8 43 A P E -A 3 0A 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.394 55.1-174.4 -72.7 140.1 35.4 19.6 42.7 9 44 A I E -A 2 0A 8 -7,-2.2 -7,-2.9 -2,-0.1 2,-0.1 -0.950 24.5-109.4-128.9 155.5 35.0 21.4 46.1 10 45 A T >> - 0 0 53 -2,-0.3 4,-0.7 -9,-0.2 3,-0.5 -0.346 32.4-106.8 -81.3 164.3 35.0 20.2 49.7 11 46 A I H >> S+ 0 0 70 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.857 120.4 52.6 -57.7 -36.7 31.9 20.0 51.9 12 47 A S H 34 S+ 0 0 103 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.772 100.7 60.3 -72.2 -29.0 33.2 23.1 53.9 13 48 A E H <4 S+ 0 0 88 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 92.5 70.2 -71.3 -21.7 33.7 25.2 50.8 14 49 A A H << + 0 0 1 -4,-0.7 47,-0.2 -3,-0.6 -1,-0.2 0.913 69.4 156.8 -63.7 -48.8 30.0 25.0 50.0 15 50 A G < + 0 0 19 -4,-0.6 2,-0.4 -3,-0.3 -1,-0.1 -0.179 58.3 16.0 57.6-144.4 28.7 27.1 52.9 16 51 A F S S- 0 0 28 43,-0.4 45,-2.9 299,-0.1 46,-2.0 -0.462 83.4-170.3 -62.6 115.3 25.3 28.8 52.5 17 52 A T E -b 62 0B 2 294,-2.7 2,-0.7 -2,-0.4 242,-0.2 -0.951 25.5-151.6-122.4 131.2 23.7 26.9 49.6 18 53 A L E -b 63 0B 0 44,-2.2 46,-2.3 -2,-0.4 3,-0.2 -0.884 16.4-161.6 -96.5 115.1 20.5 27.6 47.6 19 54 A T E S+ 0 0 6 240,-0.9 2,-0.3 -2,-0.7 241,-0.1 0.518 71.7 37.4 -81.1 -8.3 19.4 24.2 46.5 20 55 A H E S+ 0 0 2 239,-0.1 242,-1.8 198,-0.1 243,-0.3 -0.793 77.2 127.0-148.4 95.3 17.0 24.9 43.6 21 56 A E E -b 65 0B 0 43,-2.2 45,-2.1 -2,-0.3 2,-0.3 -0.845 37.8-147.2-140.0 171.6 17.9 27.9 41.3 22 57 A H - 0 0 11 241,-1.3 3,-0.2 -2,-0.3 244,-0.1 -0.987 12.6-161.7-144.3 139.8 18.4 28.6 37.6 23 58 A I S S- 0 0 0 1,-0.3 242,-1.9 -2,-0.3 243,-0.4 0.874 92.5 -0.1 -83.7 -42.7 20.8 31.0 35.8 24 59 A C - 0 0 7 241,-0.2 2,-0.8 240,-0.2 -1,-0.3 -0.951 63.1-149.7-151.9 121.6 18.6 30.7 32.7 25 60 A G B +d 267 0C 4 241,-2.8 243,-2.5 -2,-0.3 244,-1.0 -0.834 50.8 122.0 -90.4 109.7 15.4 28.8 32.1 26 61 A S - 0 0 0 45,-3.0 2,-0.3 -2,-0.8 46,-0.2 -0.303 58.1 -86.0-139.1-143.4 15.4 27.9 28.4 27 62 A S >> - 0 0 1 45,-0.2 3,-1.9 44,-0.2 4,-0.5 -0.947 56.9 -73.4-140.0 152.7 15.3 25.0 26.0 28 63 A A T 34 S+ 0 0 12 -2,-0.3 325,-0.1 1,-0.3 324,-0.1 -0.253 116.8 0.7 -52.1 128.8 18.1 22.8 24.6 29 64 A G T 3> S+ 0 0 25 44,-0.2 4,-1.9 324,-0.1 -1,-0.3 0.275 100.9 113.0 75.7 -7.2 20.2 24.7 22.0 30 65 A F H <> S+ 0 0 0 -3,-1.9 4,-2.7 2,-0.2 -2,-0.1 0.885 71.9 48.5 -63.4 -50.1 18.1 27.9 22.4 31 66 A L H < S+ 0 0 8 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.873 115.3 48.1 -61.1 -34.0 20.7 30.2 24.0 32 67 A H H 4 S+ 0 0 82 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.872 118.1 39.3 -73.8 -38.2 23.2 29.2 21.3 33 68 A A H < S+ 0 0 0 -4,-1.9 415,-0.5 1,-0.2 -2,-0.2 0.751 131.5 20.9 -85.6 -26.3 20.7 29.7 18.4 34 69 A W >< + 0 0 3 -4,-2.7 3,-1.5 -5,-0.2 4,-0.3 -0.425 62.2 153.9-142.9 65.3 18.9 32.8 19.5 35 70 A P G > S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 9,-0.1 0.813 71.1 69.8 -66.0 -23.3 21.0 34.8 22.1 36 71 A E G > S+ 0 0 59 1,-0.3 3,-1.5 2,-0.2 -5,-0.1 0.593 79.6 76.8 -69.4 -11.6 19.3 38.1 21.1 37 72 A F G < S+ 0 0 40 -3,-1.5 -1,-0.3 1,-0.3 -6,-0.1 0.832 100.1 42.9 -64.2 -32.2 16.1 36.8 22.7 38 73 A F G < S- 0 0 31 -3,-1.6 2,-1.4 -4,-0.3 -1,-0.3 0.062 129.9 -99.1 -98.7 20.0 17.8 37.7 26.0 39 74 A G S < S- 0 0 56 -3,-1.5 2,-0.3 4,-0.1 3,-0.1 -0.607 90.2 -29.9 94.7 -66.9 19.1 41.0 24.5 40 75 A S > - 0 0 47 -2,-1.4 4,-1.7 1,-0.1 5,-0.1 -0.933 62.1-103.1-168.5 165.3 22.4 39.4 23.9 41 76 A R H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.916 123.9 54.5 -65.2 -37.8 24.5 36.6 25.6 42 77 A K H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 106.4 50.7 -62.7 -38.8 26.7 39.4 27.1 43 78 A A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 110.9 48.3 -68.6 -37.7 23.5 41.1 28.7 44 79 A L H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.902 111.8 49.6 -69.1 -41.3 22.4 37.8 30.2 45 80 A V H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.952 112.3 48.5 -61.4 -48.9 25.9 37.1 31.6 46 81 A E H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.881 112.0 47.7 -60.5 -40.9 26.0 40.6 33.1 47 82 A K H X S+ 0 0 76 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 114.6 47.3 -66.9 -41.7 22.5 40.3 34.7 48 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 111.1 50.0 -67.1 -42.1 23.4 36.9 36.1 49 84 A V H X S+ 0 0 12 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.918 113.1 46.5 -64.4 -43.5 26.8 38.1 37.5 50 85 A R H X S+ 0 0 168 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 113.6 49.4 -65.7 -40.8 25.1 41.1 39.2 51 86 A G H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.881 112.7 46.1 -66.4 -39.4 22.4 38.9 40.6 52 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.812 110.0 54.3 -74.5 -28.2 24.8 36.3 42.0 53 88 A R H X S+ 0 0 138 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.855 108.0 50.4 -72.6 -32.4 27.0 39.1 43.5 54 89 A R H X S+ 0 0 115 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.888 111.6 48.2 -69.2 -39.8 23.9 40.4 45.3 55 90 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-0.5 0.927 111.5 50.3 -66.9 -40.3 23.3 36.8 46.6 56 91 A R H ><5S+ 0 0 79 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.887 107.1 53.1 -64.4 -41.1 26.9 36.6 47.6 57 92 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 107.1 54.4 -66.9 -22.0 26.8 39.9 49.5 58 93 A A T <<5S- 0 0 27 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.414 133.1 -89.4 -91.0 -2.6 23.7 38.5 51.3 59 94 A G T < 5S+ 0 0 25 -3,-1.6 -43,-0.4 1,-0.3 -3,-0.2 0.224 79.5 138.0 115.8 -12.7 25.7 35.4 52.5 60 95 A V < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -43,-0.2 -0.410 17.6 169.4 -69.7 134.4 25.2 32.8 49.6 61 96 A R + 0 0 85 -45,-2.9 27,-2.4 1,-0.3 2,-0.3 0.638 65.2 24.5-115.1 -25.1 28.3 30.9 48.7 62 97 A T E -bc 17 88B 1 -46,-2.0 -44,-2.2 25,-0.2 2,-0.4 -0.992 56.5-167.4-144.0 142.8 26.8 28.2 46.4 63 98 A I E -bc 18 89B 0 25,-2.4 27,-2.2 -2,-0.3 2,-0.7 -0.968 18.6-138.6-126.4 148.1 23.8 27.7 44.2 64 99 A V E - c 0 90B 0 -46,-2.3 -43,-2.2 -2,-0.4 2,-1.0 -0.946 14.7-151.7-107.5 110.7 22.5 24.5 42.7 65 100 A D E -b 21 0B 1 25,-2.5 27,-0.4 -2,-0.7 -43,-0.2 -0.780 10.8-172.1 -84.4 106.3 21.4 25.2 39.1 66 101 A V + 0 0 1 -45,-2.1 2,-0.3 -2,-1.0 -44,-0.1 0.153 37.3 132.4 -87.4 18.5 18.8 22.5 38.6 67 102 A S - 0 0 1 -46,-0.2 25,-0.6 5,-0.1 2,-0.1 -0.578 41.9-158.0 -72.6 127.7 18.4 23.3 34.8 68 103 A T > > - 0 0 0 -2,-0.3 5,-2.0 23,-0.1 3,-1.3 -0.417 36.3 -85.1 -96.8 179.6 18.5 20.1 32.8 69 104 A F G > 5S+ 0 0 5 25,-0.7 3,-1.3 1,-0.3 -40,-0.1 0.914 132.0 44.5 -48.5 -50.9 19.3 19.4 29.2 70 105 A D G 3 5S+ 0 0 2 24,-0.3 -1,-0.3 1,-0.3 -42,-0.3 0.536 104.6 62.5 -76.6 -9.4 15.7 20.2 28.2 71 106 A C G < 5S- 0 0 2 -3,-1.3 -45,-3.0 -44,-0.2 -1,-0.3 0.185 122.7-106.0 -95.9 12.2 15.6 23.3 30.4 72 107 A G T < 5 - 0 0 10 -3,-1.3 -45,-0.2 -46,-0.2 -41,-0.2 0.701 49.3-174.2 71.8 22.4 18.4 24.7 28.2 73 108 A R < - 0 0 11 -5,-2.0 2,-0.5 -47,-0.1 -44,-0.2 -0.225 8.1-172.8 -51.8 124.8 21.3 24.3 30.6 74 109 A D >> - 0 0 26 -50,-0.1 4,-1.9 1,-0.1 3,-0.9 -0.898 5.4-172.2-123.5 95.1 24.4 25.8 29.2 75 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.762 84.3 62.8 -62.5 -23.1 27.2 24.8 31.6 76 111 A S H 3> S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.852 106.0 46.2 -69.1 -32.2 29.7 27.1 29.7 77 112 A L H <> S+ 0 0 2 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.922 112.0 50.9 -72.9 -44.0 27.4 30.1 30.7 78 113 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.890 110.2 50.0 -60.7 -38.0 27.3 28.7 34.3 79 114 A A H X S+ 0 0 25 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.927 111.2 48.5 -67.3 -42.9 31.1 28.5 34.3 80 115 A E H X S+ 0 0 96 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.915 114.9 43.6 -64.5 -45.9 31.5 32.0 33.1 81 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.862 111.9 53.7 -70.3 -33.2 29.1 33.5 35.6 82 117 A S H X>S+ 0 0 4 -4,-2.2 5,-1.2 -5,-0.2 4,-1.2 0.890 110.5 47.7 -65.6 -42.0 30.5 31.4 38.5 83 118 A R H <5S+ 0 0 175 -4,-2.1 3,-0.2 2,-0.2 -2,-0.2 0.930 115.9 42.9 -63.9 -48.7 34.0 32.7 37.8 84 119 A A H <5S+ 0 0 42 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 120.9 39.6 -69.8 -35.1 32.9 36.4 37.5 85 120 A A H <5S- 0 0 3 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.545 98.7-130.5 -92.6 -10.1 30.6 36.3 40.6 86 121 A D T <5 + 0 0 101 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.915 64.9 128.8 58.1 44.0 32.8 34.1 42.9 87 122 A V < - 0 0 2 -5,-1.2 -1,-0.2 -6,-0.2 -25,-0.2 -1.000 61.2-121.8-127.9 130.6 29.8 31.8 43.7 88 123 A H E -c 62 0B 47 -27,-2.4 -25,-2.4 -2,-0.4 2,-0.4 -0.478 26.3-162.0 -71.7 139.4 30.0 28.1 43.3 89 124 A I E -c 63 0B 0 -27,-0.2 -84,-2.5 -2,-0.1 2,-0.5 -0.993 6.5-155.6-128.0 125.3 27.5 26.6 40.9 90 125 A V E -c 64 0B 0 -27,-2.2 -25,-2.5 -2,-0.4 -86,-0.2 -0.883 18.7-145.0 -98.4 125.0 26.5 22.9 40.9 91 126 A A - 0 0 0 -2,-0.5 40,-2.7 38,-0.4 41,-0.7 -0.491 11.1-136.4 -89.4 162.1 25.1 21.8 37.6 92 127 A A E -e 132 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.804 13.9-165.8-121.7 156.3 22.4 19.2 37.0 93 128 A T E +e 133 0D 0 39,-2.1 41,-2.8 -2,-0.3 2,-0.2 -0.542 48.8 80.1-116.7-168.7 21.6 16.2 34.8 94 129 A G E S-e 134 0D 0 39,-0.2 -25,-0.7 -2,-0.2 2,-0.3 -0.644 77.2 -76.5 102.8-171.1 18.1 14.6 34.5 95 130 A L - 0 0 2 39,-1.5 41,-0.2 -2,-0.2 2,-0.1 -0.992 35.4-162.7-135.0 143.5 15.1 15.7 32.5 96 131 A W - 0 0 29 -2,-0.3 40,-0.2 39,-0.1 -29,-0.0 -0.024 50.3 -62.9-103.3-152.4 12.5 18.4 33.1 97 132 A I S S+ 0 0 64 1,-0.2 -26,-0.0 38,-0.1 41,-0.0 0.493 120.7 55.3 -81.4 -2.6 9.0 19.1 31.7 98 133 A D + 0 0 11 326,-0.0 -1,-0.2 2,-0.0 327,-0.1 -0.308 63.6 168.6-129.0 54.4 9.9 19.5 28.1 99 134 A P - 0 0 19 0, 0.0 -4,-0.0 0, 0.0 2,-0.0 -0.425 29.8-131.6 -70.0 134.4 11.9 16.5 26.7 100 135 A P >> - 0 0 16 0, 0.0 4,-2.8 0, 0.0 3,-1.9 -0.256 32.6 -89.7 -75.9 174.4 12.3 16.5 22.9 101 136 A L H 3> S+ 0 0 26 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.863 125.5 58.1 -50.7 -42.2 11.7 13.5 20.6 102 137 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 493,-0.1 0.616 115.5 36.7 -66.6 -16.2 15.2 12.2 20.9 103 138 A M H X4 S+ 0 0 0 -3,-1.9 3,-1.6 2,-0.1 -2,-0.2 0.789 112.7 54.6-101.5 -43.5 14.8 12.0 24.7 104 139 A R H 3< S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.672 103.6 56.1 -70.2 -12.9 11.1 10.9 25.0 105 140 A L T 3< S+ 0 0 67 -4,-1.6 492,-0.3 -5,-0.2 -1,-0.3 0.365 88.5 109.8 -96.7 4.5 11.6 7.9 22.7 106 141 A R < - 0 0 5 -3,-1.6 2,-0.1 -5,-0.1 41,-0.1 -0.501 65.0-124.5 -86.6 151.2 14.4 6.5 25.0 107 142 A S > - 0 0 39 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.364 31.1-103.9 -82.9 169.5 14.3 3.4 27.2 108 143 A V H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.874 123.2 53.5 -62.6 -34.9 15.2 3.5 31.0 109 144 A E H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 109.6 47.3 -67.5 -39.4 18.6 1.9 30.2 110 145 A E H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.898 111.5 49.5 -70.2 -40.6 19.4 4.6 27.6 111 146 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.861 108.5 54.4 -67.7 -33.2 18.4 7.5 30.0 112 147 A T H X S+ 0 0 18 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.916 107.5 50.6 -65.2 -40.6 20.5 5.9 32.7 113 148 A Q H X S+ 0 0 120 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.885 111.7 48.5 -63.8 -39.4 23.5 6.0 30.3 114 149 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.928 112.7 45.3 -67.4 -48.7 22.8 9.6 29.6 115 150 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.919 113.7 51.9 -63.7 -37.9 22.5 10.7 33.2 116 151 A L H X S+ 0 0 32 -4,-2.6 4,-3.6 1,-0.2 5,-0.4 0.904 106.3 52.3 -66.6 -38.6 25.6 8.7 34.0 117 152 A R H X>S+ 0 0 19 -4,-2.2 5,-2.9 1,-0.2 4,-1.9 0.891 108.4 51.4 -66.5 -35.5 27.7 10.3 31.3 118 153 A E H <5S+ 0 0 0 -4,-1.8 12,-2.6 3,-0.2 -1,-0.2 0.787 119.9 35.4 -71.9 -24.5 26.8 13.8 32.6 119 154 A I H <5S+ 0 0 8 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.862 129.0 31.1 -91.9 -47.8 27.9 12.8 36.1 120 155 A Q H <5S+ 0 0 104 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.779 135.1 18.1 -84.8 -33.9 30.8 10.5 35.4 121 156 A Y T <5S- 0 0 158 -4,-1.9 2,-0.2 -5,-0.4 -3,-0.2 0.824 110.5 -93.0-103.0 -60.7 32.4 11.9 32.2 122 157 A G < - 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0 0 9 -3,-0.6 3,-1.0 1,-0.3 -1,-0.2 -0.451 67.1 -1.6 67.2-121.3 21.5 5.7 0.7 611 325 B M G > S+ 0 0 3 -2,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.624 126.6 71.6 -77.0 -14.7 21.4 9.2 -1.0 612 326 B A G <> S+ 0 0 3 -3,-1.7 4,-1.6 1,-0.2 5,-0.3 0.319 70.8 94.9 -83.6 8.9 22.7 7.6 -4.2 613 327 B F H <>>S+ 0 0 15 -3,-1.0 5,-1.7 3,-0.2 4,-1.7 0.829 78.0 55.5 -70.8 -33.8 19.3 5.9 -4.7 614 328 B I H <4>S+ 0 0 3 -3,-0.7 5,-2.0 3,-0.2 4,-0.3 0.945 116.0 32.4 -69.0 -49.2 18.0 8.7 -7.0 615 329 B P H 45S+ 0 0 19 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.828 127.7 39.4 -80.1 -25.0 20.8 8.6 -9.7 616 330 B L H <5S+ 0 0 71 -4,-1.6 -3,-0.2 3,-0.1 -2,-0.2 0.856 132.8 12.6 -88.1 -41.3 21.5 4.8 -9.4 617 331 B R T <5S+ 0 0 107 -4,-1.7 4,-0.4 -5,-0.3 -3,-0.2 0.738 127.7 43.4-110.2 -30.9 18.1 3.1 -9.0 618 332 B V T > S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.766 111.3 56.7 -72.4 -19.7 17.6 4.1 -14.9 621 335 B F H > S+ 0 0 21 -4,-0.4 4,-0.8 2,-0.2 3,-0.2 0.901 106.7 46.5 -71.1 -47.9 14.1 2.8 -13.8 622 336 B L H <>S+ 0 0 2 -4,-1.8 5,-2.6 1,-0.2 4,-0.3 0.767 108.2 57.8 -67.2 -25.8 12.3 5.8 -15.4 623 337 B R H ><5S+ 0 0 132 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.827 105.0 50.6 -72.4 -33.1 14.4 5.4 -18.6 624 338 B E H 3<5S+ 0 0 160 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.699 108.2 53.7 -76.3 -22.4 13.1 1.8 -18.9 625 339 B K T 3<5S- 0 0 117 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.480 127.3 -96.8 -90.0 -7.8 9.6 3.1 -18.5 626 340 B G T < 5S+ 0 0 60 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.446 73.7 141.5 108.6 1.9 10.0 5.6 -21.4 627 341 B V < - 0 0 8 -5,-2.6 -1,-0.3 1,-0.1 -2,-0.1 -0.648 50.8-119.4 -80.4 125.3 10.9 8.9 -19.7 628 342 B P > - 0 0 73 0, 0.0 4,-0.9 0, 0.0 5,-0.1 -0.148 10.5-124.7 -61.4 159.2 13.6 10.9 -21.7 629 343 B Q H > S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.807 105.3 58.5 -75.4 -30.9 17.0 11.9 -20.2 630 344 B E H > S+ 0 0 161 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.808 106.1 47.1 -71.4 -31.3 16.6 15.7 -20.9 631 345 B T H > S+ 0 0 20 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.805 111.5 51.6 -79.4 -29.0 13.4 16.0 -18.8 632 346 B L H X S+ 0 0 5 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.772 109.9 49.7 -74.7 -28.7 15.1 14.0 -15.9 633 347 B A H X>S+ 0 0 27 -4,-1.3 4,-1.4 2,-0.2 5,-0.9 0.691 107.9 55.2 -80.4 -22.0 18.0 16.4 -16.1 634 348 B G H <>S+ 0 0 17 -4,-0.6 5,-2.2 3,-0.2 -2,-0.2 0.759 109.0 46.5 -80.3 -26.7 15.5 19.3 -16.0 635 349 B I H <5S+ 0 0 3 -4,-1.0 -51,-0.3 3,-0.2 -2,-0.2 0.851 119.2 39.1 -81.8 -38.1 14.0 17.9 -12.8 636 350 B T H <5S+ 0 0 14 -4,-1.5 -295,-2.4 3,-0.1 -2,-0.2 0.708 133.6 16.7 -86.9 -24.2 17.4 17.4 -11.0 637 351 B V T X5S+ 0 0 58 -4,-1.4 4,-1.3 -297,-0.2 -3,-0.2 0.788 127.0 39.1-113.6 -58.1 19.3 20.5 -12.2 638 352 B T H > S+ 0 0 1 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.857 112.4 55.5 -68.4 -30.2 16.1 23.1 -7.9 641 355 B A H X S+ 0 0 13 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.906 111.6 42.2 -64.7 -42.8 18.3 25.9 -9.4 642 356 B R H < S+ 0 0 101 -4,-1.9 -1,-0.2 2,-0.2 -3,-0.1 0.828 117.7 48.6 -72.6 -34.6 15.2 28.0 -10.1 643 357 B F H < S+ 0 0 2 -4,-1.9 -2,-0.2 -5,-0.2 4,-0.2 0.939 114.6 42.1 -71.5 -51.0 13.7 27.1 -6.7 644 358 B L H < S+ 0 0 3 -4,-3.2 -317,-0.2 -5,-0.1 -2,-0.2 0.659 90.6 105.1 -73.6 -16.7 16.8 27.8 -4.5 645 359 B S S < S- 0 0 30 -4,-1.1 2,-0.7 -5,-0.2 -319,-0.1 -0.488 83.2-113.0 -69.2 123.9 17.6 31.0 -6.4 646 360 B P 0 0 57 0, 0.0 -161,-0.2 0, 0.0 -162,-0.1 -0.485 360.0 360.0 -64.7 104.1 16.7 34.1 -4.3 647 361 B T 0 0 137 -163,-1.4 -164,-0.1 -2,-0.7 -163,-0.1 -0.993 360.0 360.0-141.7 360.0 13.7 35.8 -6.1