==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-12 4H9Y . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR B.XUE,J.Y.CHOW,W.S.YEW,R.C.ROBINSON . 636 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.2 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 . 4 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 . 32 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.9 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 2 0 2 4 6 0 2 2 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 3 A E 0 0 180 0, 0.0 11,-4.6 0, 0.0 12,-0.5 0.000 360.0 360.0 360.0 -38.8 23.0 28.9 25.3 2 4 A M E -A 11 0A 91 9,-0.3 2,-0.4 10,-0.1 0, 0.0 -0.842 360.0-163.4-116.0 150.7 19.6 29.4 23.6 3 5 A V E -A 10 0A 8 7,-2.9 7,-2.6 -2,-0.3 2,-0.5 -0.986 27.9-116.1-125.2 144.4 18.2 28.9 20.1 4 6 A E E +A 9 0A 47 -2,-0.4 88,-0.2 5,-0.2 2,-0.2 -0.688 38.8 176.1 -75.4 125.6 14.9 30.3 18.8 5 7 A T E > -A 8 0A 1 3,-1.5 3,-1.8 -2,-0.5 129,-0.5 -0.624 51.5 -91.5-117.0 176.8 12.4 27.6 17.8 6 8 A V T 3 S+ 0 0 1 84,-3.0 85,-0.1 1,-0.3 74,-0.1 0.635 130.3 49.7 -68.4 -9.1 8.9 27.9 16.5 7 9 A C T 3 S- 0 0 72 1,-0.5 -1,-0.3 83,-0.3 84,-0.1 0.052 123.4 -95.4-112.8 20.6 7.9 27.5 20.3 8 10 A G E < S-A 5 0A 21 -3,-1.8 -3,-1.5 126,-0.2 -1,-0.5 -0.387 74.1 -9.8 98.6-173.8 10.3 30.2 21.6 9 11 A P E -A 4 0A 75 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.294 60.3-173.2 -64.6 138.6 13.8 30.1 23.0 10 12 A V E -A 3 0A 19 -7,-2.6 -7,-2.9 79,-0.0 5,-0.1 -1.000 31.6-107.4-133.2 133.4 15.1 26.7 23.9 11 13 A P E > -A 2 0A 39 0, 0.0 3,-1.7 0, 0.0 -9,-0.3 -0.366 26.5-134.9 -52.5 131.6 18.4 25.9 25.7 12 14 A V G > S+ 0 0 5 -11,-4.6 3,-1.9 1,-0.3 4,-0.4 0.865 101.6 66.4 -64.5 -32.1 20.8 24.5 23.1 13 15 A E G 3 S+ 0 0 194 -12,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.618 99.3 53.8 -64.3 -11.7 21.9 21.7 25.5 14 16 A Q G < S+ 0 0 123 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.440 78.6 91.7-103.6 -1.2 18.3 20.3 25.1 15 17 A L < + 0 0 2 -3,-1.9 47,-0.2 -4,-0.3 74,-0.2 0.847 61.7 166.3 -59.6 -36.8 18.1 20.1 21.3 16 18 A G + 0 0 15 -4,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.159 50.5 20.2 57.2-144.2 19.4 16.5 21.4 17 19 A K S S- 0 0 60 43,-0.4 45,-2.6 297,-0.1 46,-2.2 -0.403 82.9-172.9 -61.4 125.3 19.2 14.3 18.3 18 20 A T E -b 63 0B 4 292,-1.8 2,-0.5 44,-0.2 46,-0.2 -0.968 31.0-151.2-134.1 134.9 18.7 16.7 15.3 19 21 A L E -b 64 0B 0 44,-2.1 46,-2.8 -2,-0.4 3,-0.2 -0.939 16.6-157.9-100.0 126.1 18.0 16.6 11.6 20 22 A I S S+ 0 0 3 237,-0.7 2,-0.2 -2,-0.5 238,-0.1 0.620 73.4 28.2 -86.1 -12.6 19.6 19.6 10.0 21 23 A H + 0 0 1 236,-0.2 239,-1.9 45,-0.1 238,-0.5 -0.670 69.9 128.6-158.1 91.3 17.5 19.9 6.9 22 24 A E - 0 0 0 43,-2.0 2,-0.5 -3,-0.2 46,-0.3 -0.996 38.1-140.5-145.1 146.0 13.9 18.8 6.3 23 25 A H E -d 262 0C 3 238,-2.6 240,-2.7 -2,-0.3 241,-0.3 -0.919 12.8-174.3-112.7 120.7 10.8 20.5 5.0 24 26 A F E S+ 0 0 0 -2,-0.5 240,-1.5 1,-0.3 2,-0.3 0.974 87.3 9.6 -69.0 -53.3 7.3 20.1 6.4 25 27 A L E S+d 264 0C 6 238,-0.2 2,-0.3 237,-0.1 -1,-0.3 -0.906 75.0 167.1-115.5 150.1 5.8 22.2 3.6 26 28 A F E +d 265 0C 8 238,-1.8 240,-2.6 -2,-0.3 2,-0.3 -0.906 8.4 175.5-157.2 139.5 7.6 23.4 0.4 27 29 A G - 0 0 0 45,-2.0 240,-0.1 -2,-0.3 47,-0.1 -0.996 35.7-113.1-136.0 144.5 6.5 24.9 -2.9 28 30 A Y > - 0 0 39 -2,-0.3 3,-2.2 238,-0.3 4,-0.2 -0.549 52.7 -88.9 -68.4 136.5 8.7 26.2 -5.7 29 31 A P T 3 S+ 0 0 22 0, 0.0 393,-1.2 0, 0.0 -1,-0.1 -0.170 119.8 44.6 -47.6 133.4 8.3 30.0 -6.1 30 32 A G T > S+ 0 0 12 41,-0.2 3,-1.2 391,-0.1 4,-0.3 0.083 77.7 108.4 108.6 -20.4 5.4 30.6 -8.5 31 33 A F G X + 0 0 33 -3,-2.2 3,-1.7 1,-0.2 7,-0.1 0.822 68.5 69.2 -57.4 -31.7 3.2 28.0 -6.7 32 34 A Q G > S+ 0 0 46 1,-0.3 3,-0.8 -4,-0.2 -1,-0.2 0.856 92.5 56.4 -54.7 -37.6 1.2 30.9 -5.4 33 35 A G G < S+ 0 0 0 -3,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.612 97.6 63.5 -73.1 -10.7 -0.2 31.7 -8.9 34 36 A D G <> + 0 0 0 -3,-1.7 4,-1.1 -4,-0.3 -1,-0.3 -0.160 64.7 128.5-107.9 38.4 -1.5 28.2 -9.2 35 37 A V T <4 + 0 0 51 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.834 61.7 61.7 -62.5 -34.5 -4.0 28.6 -6.3 36 38 A T T 4 S+ 0 0 22 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.928 121.7 20.9 -65.4 -44.7 -7.1 27.5 -8.2 37 39 A R T 4 S+ 0 0 75 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.500 129.5 52.8 -97.1 -6.6 -5.8 23.9 -9.0 38 40 A G S < S+ 0 0 10 -4,-1.1 229,-0.7 230,-0.2 -1,-0.2 -0.269 71.6 163.6-127.0 48.9 -3.3 24.1 -6.1 39 41 A T - 0 0 71 -3,-0.3 2,-0.5 1,-0.1 -3,-0.1 -0.379 42.2-113.3 -70.6 141.4 -5.2 25.1 -3.0 40 42 A F - 0 0 69 -2,-0.1 2,-1.1 226,-0.1 -1,-0.1 -0.659 20.6-151.6 -76.6 119.3 -3.6 24.5 0.4 41 43 A R > - 0 0 163 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 -0.739 15.2-174.4 -90.1 91.4 -5.4 21.8 2.4 42 44 A E H > S+ 0 0 68 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.838 75.1 42.6 -63.0 -41.8 -4.6 22.9 5.9 43 45 A D H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 118.3 45.4 -75.2 -35.7 -6.0 20.1 8.1 44 46 A E H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 113.7 50.1 -66.0 -43.8 -4.8 17.3 5.8 45 47 A S H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.900 108.6 52.7 -61.4 -40.8 -1.3 18.9 5.5 46 48 A L H X S+ 0 0 25 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.913 107.2 53.0 -62.6 -42.3 -1.2 19.3 9.3 47 49 A R H X S+ 0 0 154 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.921 111.5 44.5 -56.5 -48.2 -2.0 15.6 9.6 48 50 A V H X S+ 0 0 53 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.940 112.5 51.8 -64.3 -46.8 0.9 14.6 7.3 49 51 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.913 110.4 48.9 -54.7 -46.3 3.3 17.1 9.0 50 52 A V H X S+ 0 0 21 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.920 110.8 50.2 -61.8 -45.9 2.4 15.6 12.4 51 53 A E H X S+ 0 0 90 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 110.1 50.0 -53.9 -52.0 3.0 12.0 11.1 52 54 A A H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.912 111.3 50.4 -54.4 -43.8 6.3 13.0 9.7 53 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.910 109.2 49.1 -63.6 -43.1 7.2 14.5 13.1 54 56 A E H X S+ 0 0 59 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.899 106.9 57.4 -64.1 -41.2 6.2 11.4 15.0 55 57 A K H X S+ 0 0 59 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.904 108.0 46.4 -53.0 -47.2 8.3 9.3 12.6 56 58 A M H ><>S+ 0 0 0 -4,-1.8 5,-1.8 1,-0.2 3,-1.1 0.931 109.0 55.4 -62.4 -42.1 11.3 11.4 13.5 57 59 A K H ><5S+ 0 0 77 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.788 98.8 63.1 -61.2 -28.7 10.5 11.0 17.2 58 60 A R H 3<5S+ 0 0 145 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.814 103.4 47.5 -66.4 -31.6 10.5 7.2 16.8 59 61 A H T <<5S- 0 0 46 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.204 128.1 -97.6 -98.6 18.6 14.1 7.3 15.9 60 62 A G T < 5 + 0 0 34 -3,-1.4 -43,-0.4 1,-0.3 -3,-0.2 0.306 69.1 155.8 91.2 -9.3 15.0 9.6 18.8 61 63 A I < + 0 0 2 -5,-1.8 -1,-0.3 -6,-0.2 -43,-0.2 -0.327 11.3 170.4 -52.8 116.4 15.0 12.9 16.8 62 64 A Q + 0 0 102 -45,-2.6 27,-2.3 -47,-0.2 2,-0.3 0.650 62.0 33.3 -99.6 -20.0 14.3 15.7 19.3 63 65 A T E -bc 18 89B 0 -46,-2.2 -44,-2.1 25,-0.2 2,-0.4 -0.993 58.4-171.2-143.5 140.6 15.0 18.7 17.0 64 66 A V E -bc 19 90B 0 25,-2.0 27,-2.3 -2,-0.3 2,-0.6 -0.994 16.8-144.3-135.6 132.5 14.6 19.5 13.3 65 67 A V E - c 0 91B 0 -46,-2.8 -43,-2.0 -2,-0.4 27,-0.2 -0.847 14.9-168.2 -88.7 120.3 15.8 22.5 11.3 66 68 A D E - c 0 92B 1 25,-3.4 27,-0.6 -2,-0.6 -43,-0.2 -0.927 5.4-177.9-108.7 104.6 13.2 23.4 8.6 67 69 A P + 0 0 0 0, 0.0 -44,-0.1 0, 0.0 25,-0.1 0.076 18.6 155.8 -98.6 24.5 15.0 25.8 6.3 68 70 A T - 0 0 4 -46,-0.3 25,-0.4 -43,-0.1 27,-0.1 -0.301 44.9-119.5 -50.1 119.1 12.0 26.5 3.9 69 71 A P > > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 5,-1.1 -0.254 18.9-107.5 -65.1 159.3 12.7 29.9 2.3 70 72 A N G > 5S+ 0 0 12 25,-2.9 3,-0.5 1,-0.3 26,-0.2 0.764 120.9 46.0 -55.8 -32.1 10.3 32.9 2.7 71 73 A D G 3 5S+ 0 0 16 24,-0.4 -1,-0.3 1,-0.2 -41,-0.2 0.246 101.0 69.0-100.4 13.9 9.2 32.5 -0.9 72 74 A C G < 5S- 0 0 0 -3,-2.1 -45,-2.0 -43,-0.1 -1,-0.2 0.048 125.8 -79.7-119.6 22.3 8.7 28.7 -0.8 73 75 A G T < 5 - 0 0 16 -3,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.688 61.5-179.5 89.1 19.8 5.7 28.6 1.5 74 76 A R < - 0 0 27 -5,-1.1 -1,-0.2 -47,-0.1 -48,-0.1 -0.321 1.3-179.5 -49.8 128.2 7.4 29.1 4.9 75 77 A N > + 0 0 54 1,-0.1 4,-2.5 -50,-0.1 5,-0.2 -0.711 13.1 176.9-139.6 83.3 4.7 28.9 7.4 76 78 A P H > S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 82.8 53.6 -60.6 -41.4 5.9 29.4 11.0 77 79 A A H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.916 110.8 47.6 -57.5 -45.2 2.4 29.3 12.6 78 80 A F H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 111.6 50.0 -62.6 -44.2 1.7 26.0 10.9 79 81 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.887 107.5 55.5 -61.1 -35.1 5.2 24.7 12.1 80 82 A R H X S+ 0 0 72 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.890 103.1 55.0 -64.4 -37.7 4.2 25.8 15.6 81 83 A R H X S+ 0 0 106 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.960 108.2 49.2 -55.3 -50.0 1.1 23.8 15.3 82 84 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 6,-0.3 0.944 113.3 45.4 -55.4 -52.6 3.3 20.7 14.5 83 85 A A H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.870 111.1 52.7 -59.6 -41.3 5.6 21.4 17.5 84 86 A E H < S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.2 45.7 -63.7 -37.2 2.8 22.0 19.9 85 87 A E H < S+ 0 0 131 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 128.0 22.5 -67.2 -42.1 1.2 18.7 18.9 86 88 A T H < S- 0 0 11 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.606 92.1-123.5-110.6 -17.7 4.3 16.5 19.0 87 89 A G < + 0 0 61 -4,-2.7 2,-0.2 1,-0.3 -4,-0.1 0.524 61.7 146.4 76.2 4.2 6.8 18.3 21.3 88 90 A L - 0 0 4 -6,-0.3 2,-0.4 -5,-0.2 -1,-0.3 -0.541 51.0-125.1 -66.9 135.3 9.3 18.3 18.4 89 91 A N E -c 63 0B 33 -27,-2.3 -25,-2.0 -2,-0.2 2,-0.4 -0.694 29.7-171.2 -76.3 134.8 11.7 21.3 18.4 90 92 A I E -c 64 0B 0 -2,-0.4 -84,-3.0 -27,-0.2 2,-0.5 -0.993 9.6-165.3-132.5 127.5 11.5 23.0 15.0 91 93 A I E -c 65 0B 0 -27,-2.3 -25,-3.4 -2,-0.4 2,-0.2 -0.931 14.5-160.2-108.5 127.3 13.8 25.8 14.0 92 94 A C E -c 66 0B 0 -2,-0.5 44,-2.1 42,-0.4 45,-1.5 -0.582 8.3-122.5-108.0 175.3 12.8 27.8 11.0 93 95 A A E -e 137 0D 0 -27,-0.6 2,-0.4 -25,-0.4 45,-0.2 -0.673 5.5-146.2-115.4 163.1 14.7 30.0 8.5 94 96 A T E +e 138 0D 0 43,-1.7 45,-3.1 -2,-0.2 2,-0.2 -0.997 59.3 83.3-120.7 127.4 14.8 33.5 7.1 95 97 A G E -e 139 0D 0 -2,-0.4 -25,-2.9 43,-0.2 -24,-0.4 -0.888 66.0 -97.3 163.1 175.1 16.0 33.6 3.5 96 98 A Y - 0 0 10 43,-0.6 45,-0.1 -2,-0.2 -2,-0.0 -0.883 35.9-107.0-120.4 152.5 15.0 33.3 -0.2 97 99 A Y 0 0 20 -2,-0.3 44,-0.1 1,-0.1 -1,-0.0 -0.279 360.0 360.0 -68.3 162.3 15.3 30.3 -2.6 98 100 A Y 0 0 92 44,-0.1 -1,-0.1 42,-0.1 44,-0.1 -0.181 360.0 360.0 -71.5 360.0 18.0 30.6 -5.3 99 ! 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 0.0 100 106 A P 0 0 72 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.8 14.2 39.1 -8.7 101 107 A P > + 0 0 31 0, 0.0 4,-1.7 0, 0.0 249,-0.1 -0.922 360.0 46.8 -89.2 0.4 12.1 41.1 -9.8 102 108 A Y H > S+ 0 0 8 247,-1.3 4,-1.4 2,-0.2 248,-0.1 0.963 127.5 31.7 -62.4 -53.4 10.9 42.3 -6.3 103 109 A F H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.725 113.6 62.4 -76.9 -22.0 14.5 42.6 -5.2 104 110 A Q H > S+ 0 0 105 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.878 104.6 50.1 -63.6 -36.2 15.7 43.6 -8.7 105 111 A F H X S+ 0 0 22 -4,-1.7 4,-1.4 1,-0.2 3,-0.3 0.912 108.7 50.0 -68.6 -42.4 13.4 46.6 -8.3 106 112 A R H X>S+ 0 0 5 -4,-1.4 5,-1.6 1,-0.2 4,-1.3 0.793 102.0 62.3 -68.4 -28.8 14.9 47.5 -4.9 107 113 A R H <5S+ 0 0 115 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.880 103.7 50.7 -57.9 -39.6 18.3 47.2 -6.5 108 114 A L H <5S+ 0 0 101 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.895 108.3 50.9 -62.2 -41.1 17.1 50.1 -8.7 109 115 A L H <5S- 0 0 22 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.729 111.7-125.2 -70.5 -22.0 16.0 52.0 -5.6 110 116 A G T <5S+ 0 0 60 -4,-1.3 -3,-0.2 -5,-0.1 4,-0.2 0.449 89.0 92.3 93.5 4.2 19.5 51.4 -4.1 111 117 A T >< + 0 0 51 -5,-1.6 4,-3.2 1,-0.1 5,-0.2 0.348 46.6 108.8-112.9 5.0 18.2 49.8 -0.9 112 118 A A H > S+ 0 0 4 -6,-0.8 4,-2.4 1,-0.2 5,-0.2 0.901 81.5 40.5 -56.2 -57.5 18.2 46.1 -1.8 113 119 A E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 118.8 48.6 -62.9 -38.9 21.0 44.7 0.3 114 120 A D H > S+ 0 0 94 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.883 110.2 51.7 -65.4 -42.2 20.0 46.9 3.3 115 121 A D H X S+ 0 0 19 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.901 111.1 48.0 -59.0 -45.0 16.4 45.8 2.9 116 122 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 112.9 47.1 -63.2 -47.0 17.5 42.1 3.0 117 123 A Y H X S+ 0 0 38 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.954 111.8 52.1 -58.2 -49.3 19.7 42.7 6.0 118 124 A D H X S+ 0 0 45 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.843 110.0 48.9 -54.0 -39.1 16.8 44.5 7.6 119 125 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.933 110.8 48.8 -65.8 -50.6 14.6 41.5 6.9 120 126 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.924 113.6 48.2 -54.3 -47.0 17.1 39.0 8.4 121 127 A M H X S+ 0 0 23 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.942 112.7 47.2 -62.0 -49.0 17.4 41.2 11.5 122 128 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-2.3 0.931 116.4 44.0 -56.4 -47.4 13.6 41.6 12.0 123 129 A E H <5S+ 0 0 0 -4,-2.7 12,-2.5 3,-0.2 -1,-0.2 0.748 118.4 43.6 -76.4 -21.2 13.0 37.9 11.5 124 130 A L H <5S+ 0 0 13 -4,-1.9 -1,-0.2 10,-0.2 -2,-0.2 0.803 131.3 18.6 -86.2 -33.4 15.9 36.8 13.7 125 131 A T H <5S+ 0 0 62 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.635 133.0 28.5-118.0 -20.4 15.4 39.3 16.6 126 132 A E T <5S- 0 0 117 -4,-2.3 2,-0.2 -5,-0.5 -3,-0.2 0.812 107.3 -90.4-108.0 -57.4 11.8 40.6 16.5 127 133 A G < - 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0 0 3 -6,-0.3 2,-0.4 -5,-0.2 -1,-0.3 -0.539 51.0-125.1 -66.6 134.9 -17.4 50.0 -11.2 409 91 B N E -m 383 0G 33 -27,-2.4 -25,-2.0 -2,-0.2 2,-0.4 -0.688 29.8-171.3 -76.6 134.7 -17.1 47.0 -13.5 410 92 B I E -m 384 0G 1 -2,-0.4 -84,-3.0 -27,-0.2 2,-0.5 -0.992 9.9-165.4-132.6 127.1 -13.8 45.3 -13.0 411 93 B I E -m 385 0G 0 -27,-2.3 -25,-3.4 -2,-0.4 2,-0.2 -0.929 14.5-160.3-107.7 127.7 -12.5 42.5 -15.2 412 94 B C E -m 386 0G 1 -2,-0.5 44,-2.1 42,-0.4 45,-1.4 -0.577 8.6-122.2-108.2 175.9 -9.6 40.5 -13.8 413 95 B A E -o 457 0I 0 -27,-0.6 2,-0.4 -25,-0.4 45,-0.2 -0.680 5.1-145.7-116.2 161.8 -7.0 38.3 -15.5 414 96 B T E +o 458 0I 0 43,-1.7 45,-3.2 -2,-0.2 2,-0.2 -0.997 59.3 82.8-118.1 128.6 -5.6 34.8 -15.5 415 97 B G E -o 459 0I 0 -2,-0.4 -25,-2.8 43,-0.2 -24,-0.4 -0.886 66.1 -96.4 162.0 174.4 -1.8 34.6 -16.3 416 98 B Y - 0 0 9 43,-0.6 45,-0.1 -2,-0.2 -2,-0.0 -0.880 36.1-107.2-119.8 153.0 1.8 35.0 -15.0 417 99 B Y 0 0 19 -2,-0.3 44,-0.1 1,-0.1 -1,-0.0 -0.288 360.0 360.0 -68.6 161.4 4.2 38.0 -15.0 418 100 B Y 0 0 91 44,-0.1 -1,-0.1 42,-0.1 44,-0.1 -0.224 360.0 360.0 -69.6 360.0 7.1 37.7 -17.4 419 ! 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 0.0 420 106 B P 0 0 73 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.7 10.1 29.2 -13.3 421 107 B P > + 0 0 31 0, 0.0 4,-1.5 0, 0.0 -391,-0.1 -0.912 360.0 46.9 -92.1 3.2 10.9 27.2 -11.1 422 108 B Y H > S+ 0 0 8 -393,-1.2 4,-1.3 2,-0.2 -392,-0.1 0.953 127.1 32.4 -65.6 -51.7 7.4 26.0 -10.2 423 109 B F H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.722 113.0 62.5 -78.3 -21.6 6.6 25.6 -13.9 424 110 B Q H > S+ 0 0 106 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.880 104.6 50.1 -63.0 -36.0 10.2 24.7 -14.7 425 111 B F H X S+ 0 0 23 -4,-1.5 4,-1.4 1,-0.2 3,-0.3 0.914 108.7 49.8 -69.0 -42.4 9.6 21.7 -12.5 426 112 B R H X>S+ 0 0 8 -4,-1.3 5,-1.6 1,-0.2 4,-1.3 0.782 102.1 62.3 -68.8 -27.7 6.4 20.8 -14.3 427 113 B R H <5S+ 0 0 114 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.878 103.7 50.7 -59.1 -39.2 8.3 21.1 -17.6 428 114 B L H <5S+ 0 0 104 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.892 108.4 50.9 -62.8 -40.7 10.4 18.2 -16.2 429 115 B L H <5S- 0 0 22 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.729 111.6-125.2 -70.7 -22.1 7.2 16.3 -15.4 430 116 B G T <5S+ 0 0 59 -4,-1.3 -3,-0.2 -5,-0.1 4,-0.2 0.454 89.0 92.0 93.4 4.1 6.0 16.9 -19.0 431 117 B T >< + 0 0 51 -5,-1.6 4,-3.2 1,-0.1 5,-0.2 0.348 46.8 108.5-113.3 5.3 2.7 18.5 -18.0 432 118 B A H > S+ 0 0 4 -6,-0.9 4,-2.5 1,-0.2 5,-0.2 0.904 81.6 40.7 -57.0 -57.5 3.6 22.2 -17.9 433 119 B E H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 118.9 48.5 -61.6 -38.0 1.8 23.6 -21.0 434 120 B D H > S+ 0 0 94 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.886 110.2 51.7 -67.4 -41.9 -1.2 21.4 -20.2 435 121 B D H X S+ 0 0 17 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.901 111.0 48.1 -59.2 -45.4 -1.2 22.5 -16.6 436 122 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.932 112.8 47.2 -62.2 -47.9 -1.2 26.2 -17.7 437 123 B Y H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.951 111.7 52.3 -57.4 -48.5 -4.0 25.6 -20.2 438 124 B D H X S+ 0 0 45 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.850 109.9 48.9 -55.2 -38.5 -5.9 23.8 -17.5 439 125 B M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.929 110.8 48.7 -66.6 -49.9 -5.4 26.8 -15.2 440 126 B F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.919 113.5 48.3 -55.2 -46.4 -6.6 29.3 -17.8 441 127 B M H X>S+ 0 0 24 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.951 112.7 47.0 -62.1 -49.9 -9.7 27.1 -18.5 442 128 B A H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-2.3 0.929 116.5 44.2 -55.7 -47.2 -10.6 26.7 -14.8 443 129 B E H <5S+ 0 0 0 -4,-2.6 12,-2.4 3,-0.2 -1,-0.2 0.767 118.4 43.6 -75.7 -22.4 -10.1 30.4 -14.1 444 130 B L H <5S+ 0 0 14 -4,-1.9 -1,-0.2 10,-0.2 -2,-0.2 0.805 131.3 18.6 -85.1 -32.5 -12.0 31.5 -17.3 445 131 B T H <5S+ 0 0 63 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.631 133.1 28.6-119.6 -20.6 -14.9 29.0 -17.0 446 132 B E T < S- 0 0 3 5,-3.2 3,-2.6 -5,-0.2 5,-0.5 -0.728 87.0 -53.0 -87.2 121.7 -10.7 31.7 -9.3 449 135 B A T 3 S- 0 0 34 -2,-0.6 3,-0.2 1,-0.3 -410,-0.0 -0.316 111.7 -38.3 46.3-122.6 -9.9 29.7 -6.1 450 136 B D T 3 S+ 0 0 151 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.139 115.4 101.8-111.8 15.8 -13.2 29.8 -4.2 451 137 B T S < S- 0 0 26 -3,-2.6 -2,-0.1 2,-0.2 -1,-0.1 0.705 79.8-136.1 -72.0 -21.6 -14.1 33.4 -5.0 452 138 B G + 0 0 61 -4,-0.4 2,-0.5 1,-0.3 -3,-0.1 0.617 64.3 128.9 69.9 10.5 -16.6 32.3 -7.7 453 139 B I - 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0 0 56 2,-0.0 2,-0.4 0, 0.0 -484,-0.0 -0.945 26.2-135.6-150.6 172.9 9.3 52.5 -0.6 591 277 B T - 0 0 123 -2,-0.3 3,-0.1 -482,-0.0 6,-0.0 -0.995 25.9-123.5-137.6 129.1 9.8 56.0 -1.8 592 278 B L - 0 0 49 -2,-0.4 -483,-0.0 1,-0.1 2,-0.0 -0.494 34.4-104.8 -70.3 141.0 11.1 56.9 -5.3 593 279 B P > - 0 0 48 0, 0.0 4,-3.5 0, 0.0 5,-0.1 -0.324 36.2-105.0 -61.6 151.5 14.3 59.0 -5.5 594 280 B E H > S+ 0 0 142 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.667 117.2 53.7 -62.0 -26.0 13.8 62.6 -6.5 595 281 B P H > S+ 0 0 88 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.988 119.3 35.3 -63.8 -61.1 15.0 62.3 -10.1 596 282 B F H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.900 113.7 61.8 -49.4 -48.6 12.7 59.4 -10.8 597 283 B A H < S+ 0 0 31 -4,-3.5 -1,-0.2 1,-0.2 -3,-0.2 0.848 102.7 46.0 -55.5 -47.2 9.9 60.9 -8.5 598 284 B E H >< S+ 0 0 106 -4,-1.3 3,-1.5 -3,-0.3 -1,-0.2 0.892 110.7 53.5 -65.7 -41.1 9.3 64.2 -10.4 599 285 B M H >< S+ 0 0 73 -4,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.861 108.7 50.3 -60.3 -34.9 9.2 62.4 -13.8 600 286 B M G >< S+ 0 0 21 -4,-1.8 3,-2.0 1,-0.2 -1,-0.3 0.348 77.6 111.8 -87.8 10.9 6.6 60.0 -12.6 601 287 B K G < S+ 0 0 129 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.782 74.6 48.8 -62.1 -32.4 4.4 62.8 -11.2 602 288 B N G < S+ 0 0 51 -3,-0.5 2,-1.7 -56,-0.3 -1,-0.3 0.432 76.7 118.0 -86.9 2.2 1.5 62.4 -13.7 603 289 B W < + 0 0 60 -3,-2.0 2,-0.3 -57,-0.4 -57,-0.1 -0.536 47.6 105.3 -74.4 86.4 1.3 58.6 -13.3 604 290 B H S > S- 0 0 60 -2,-1.7 3,-2.0 -59,-0.2 4,-0.3 -0.974 83.6 -96.0-160.7 160.5 -2.3 58.4 -11.9 605 291 B V T 3 S+ 0 0 2 -2,-0.3 4,-0.2 1,-0.3 -2,-0.1 0.516 116.6 54.3 -65.9 -3.3 -5.8 57.3 -13.1 606 292 B E T 3> S+ 0 0 37 2,-0.1 4,-1.9 1,-0.1 3,-0.5 0.561 80.3 93.0-102.3 -6.8 -6.9 60.8 -14.1 607 293 B H H <>>S+ 0 0 4 -3,-2.0 4,-2.5 1,-0.3 5,-1.7 0.885 81.2 52.8 -60.1 -49.6 -4.0 61.7 -16.4 608 294 B L H 4>S+ 0 0 0 -4,-0.3 5,-3.4 1,-0.2 -1,-0.3 0.879 116.1 42.4 -48.1 -42.8 -5.6 60.6 -19.7 609 295 B F H 45S+ 0 0 27 -3,-0.5 -2,-0.2 -4,-0.2 -1,-0.2 0.772 121.8 34.4 -84.4 -27.4 -8.6 62.7 -18.9 610 296 B V H <5S+ 0 0 63 -4,-1.9 -2,-0.2 -3,-0.1 -3,-0.2 0.584 136.0 10.9-107.5 -11.7 -7.1 65.9 -17.6 611 297 B N T X5S+ 0 0 66 -4,-2.5 4,-1.9 -5,-0.3 -3,-0.2 0.637 125.2 41.5-127.9 -50.3 -3.9 66.1 -19.7 612 298 B I H >> S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.978 109.2 44.3 -55.1 -61.1 -6.9 67.7 -23.8 615 301 B A H 3X S+ 0 0 42 -4,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.819 109.7 58.9 -54.5 -33.9 -3.7 68.0 -25.8 616 302 B L H 3<>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.4 0.914 104.0 50.3 -61.8 -42.3 -5.1 65.5 -28.3 617 303 B K H X<5S+ 0 0 108 -4,-1.9 3,-2.2 -3,-0.7 -2,-0.2 0.892 105.3 55.7 -62.9 -39.1 -8.0 67.8 -29.0 618 304 B N H 3<5S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.771 106.3 52.7 -62.3 -26.4 -5.6 70.7 -29.6 619 305 B E T 3<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.249 129.2-103.9 -92.1 8.2 -4.1 68.4 -32.2 620 306 B G T < 5 + 0 0 56 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.725 61.1 160.0 81.4 24.6 -7.6 68.0 -33.6 621 307 B I < - 0 0 17 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.723 34.3-136.4 -78.6 120.7 -8.7 64.6 -32.5 622 308 B R > - 0 0 167 -2,-0.6 4,-1.7 1,-0.1 3,-0.3 -0.279 13.3-117.8 -75.7 162.5 -12.5 64.4 -32.7 623 309 B D H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.806 110.5 63.5 -75.3 -32.3 -14.8 63.0 -30.1 624 310 B E H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 107.4 46.8 -53.2 -41.9 -16.2 60.2 -32.3 625 311 B V H > S+ 0 0 29 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.933 110.7 48.8 -66.3 -52.3 -12.6 58.9 -32.5 626 312 B L H X S+ 0 0 15 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.885 112.0 50.7 -58.4 -39.2 -11.9 59.1 -28.7 627 313 B E H X>S+ 0 0 110 -4,-2.7 4,-3.3 2,-0.2 5,-2.2 0.871 104.7 57.5 -64.8 -38.9 -15.3 57.4 -28.1 628 314 B Q H <>S+ 0 0 48 -4,-1.7 5,-3.6 3,-0.2 -2,-0.2 0.926 112.8 41.3 -55.6 -44.0 -14.2 54.7 -30.6 629 315 B M H <5S+ 0 0 2 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.939 124.7 33.8 -70.5 -47.1 -11.1 54.1 -28.4 630 316 B F H <5S+ 0 0 9 -4,-2.8 -292,-1.8 -5,-0.1 -2,-0.2 0.746 138.6 8.2 -85.1 -25.6 -12.8 54.3 -25.0 631 317 B I T X5S+ 0 0 65 -4,-3.3 4,-1.9 -5,-0.2 -3,-0.2 0.738 127.2 46.4-121.4 -54.3 -16.2 52.8 -25.7 632 318 B G H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 115.3 52.3 -57.3 -37.0 -13.6 47.8 -25.6 635 321 B A H X S+ 0 0 32 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.892 112.8 42.4 -66.1 -42.0 -17.2 46.9 -26.8 636 322 B A H < S+ 0 0 45 -4,-2.9 3,-0.3 2,-0.2 -1,-0.2 0.949 112.9 56.1 -63.3 -46.9 -15.9 45.3 -30.0 637 323 B L H < S+ 0 0 0 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.5 36.6 -54.0 -48.7 -13.1 43.6 -28.1 638 324 B F H < 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.699 360.0 360.0 -83.7 -17.9 -15.3 41.8 -25.6 639 325 B S < 0 0 88 -4,-1.2 -316,-0.0 -3,-0.3 -4,-0.0 -0.480 360.0 360.0 -83.0 360.0 -18.2 41.0 -27.9