==== 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 OXIDOREDUCTASE 20-SEP-04 1XHL . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE FAMILY MEMBER . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR N.SCHORMANN,E.KARPOVA,J.ZHOU,Y.ZHANG,J.SYMERSKY,R.BUNZEL,W.- . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.9 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 6 0 0 0 0 0 0 3 3 4 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 R 0 0 197 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 153.7 -3.9 95.1 1.2 2 4 A F > + 0 0 7 25,-3.0 3,-2.3 22,-0.3 28,-0.3 -0.237 360.0 153.7-130.7 27.1 -0.6 93.8 2.6 3 5 A S T 3 S+ 0 0 81 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.476 73.9 18.5 -59.9 127.1 -1.8 90.2 2.3 4 6 A G T 3 S+ 0 0 53 24,-0.7 2,-0.5 1,-0.3 -1,-0.3 0.623 103.4 124.5 80.5 11.9 1.3 88.1 1.9 5 7 A K < - 0 0 76 -3,-2.3 25,-3.2 23,-0.4 2,-0.6 -0.921 51.0-152.6-112.0 132.3 3.4 91.0 3.2 6 8 A S E -a 30 0A 0 -2,-0.5 80,-2.5 23,-0.2 81,-2.2 -0.902 22.0-170.4-101.7 117.1 5.8 90.7 6.1 7 9 A V E -ab 31 87A 0 23,-3.3 25,-2.8 -2,-0.6 2,-0.6 -0.928 16.0-160.9-119.0 133.5 6.2 94.1 7.9 8 10 A I E -ab 32 88A 0 79,-2.8 81,-2.9 -2,-0.4 2,-0.6 -0.934 8.1-175.9-110.4 120.4 8.6 95.3 10.6 9 11 A I E > -ab 33 89A 0 23,-2.2 25,-1.0 -2,-0.6 3,-0.7 -0.883 11.2-157.1-116.9 100.2 7.6 98.4 12.5 10 12 A T T 3 S+ 0 0 3 79,-1.8 81,-0.4 -2,-0.6 25,-0.1 -0.398 81.5 26.4 -69.8 152.7 10.3 99.5 15.0 11 13 A G T 3 S+ 0 0 19 80,-0.2 6,-0.5 1,-0.1 3,-0.5 0.868 79.7 135.8 62.8 35.3 8.9 101.7 17.8 12 14 A S < + 0 0 0 22,-1.5 23,-0.2 -3,-0.7 -1,-0.1 0.218 43.8 88.8 -98.8 14.5 5.5 100.1 17.5 13 15 A S S S+ 0 0 11 21,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.488 102.7 6.1 -86.2 -3.9 5.1 99.6 21.2 14 16 A N S >> S- 0 0 51 -3,-0.5 4,-1.5 29,-0.1 3,-0.6 -0.985 107.7 -5.5-167.0 167.8 3.5 103.1 21.3 15 17 A G H 3> S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.036 118.1 0.8 44.7-135.7 2.3 106.1 19.3 16 18 A I H 3> S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.892 133.3 53.2 -51.0 -48.2 2.7 106.3 15.6 17 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.5 -5,-0.3 0.918 107.4 52.1 -56.3 -45.4 4.4 103.0 15.4 18 20 A R H X S+ 0 0 34 -4,-1.5 4,-2.3 -7,-0.4 -2,-0.2 0.962 111.7 45.4 -55.2 -54.5 1.5 101.4 17.2 19 21 A S H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 112.2 51.1 -55.7 -47.5 -1.1 102.8 14.8 20 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.945 109.3 52.6 -55.9 -48.7 0.9 101.9 11.8 21 23 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.913 108.7 48.1 -54.7 -49.0 1.2 98.4 13.1 22 24 A V H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.902 112.5 48.7 -63.5 -38.9 -2.6 98.0 13.6 23 25 A I H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.958 111.2 49.0 -64.9 -50.0 -3.4 99.3 10.1 24 26 A F H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 -22,-0.3 0.916 113.9 47.9 -53.2 -45.3 -0.8 97.0 8.4 25 27 A A H ><5S+ 0 0 3 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 0.910 108.7 52.5 -62.9 -44.5 -2.3 94.1 10.4 26 28 A K H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 104.0 58.9 -61.6 -29.4 -5.9 95.1 9.5 27 29 A E T 3<5S- 0 0 53 -4,-2.0 -25,-3.0 -5,-0.2 -24,-0.3 0.226 128.0 -99.0 -84.5 14.0 -4.7 95.1 5.8 28 30 A G T < 5S+ 0 0 17 -3,-1.9 -24,-0.7 1,-0.2 -23,-0.4 0.671 73.8 145.6 80.6 19.4 -3.7 91.4 6.2 29 31 A A < - 0 0 0 -5,-2.1 2,-0.6 -26,-0.2 -1,-0.2 -0.557 55.2-119.1 -90.0 153.4 0.0 91.8 6.7 30 32 A Q E -a 6 0A 47 -25,-3.2 -23,-3.3 -28,-0.3 2,-0.4 -0.822 44.6-157.6 -85.5 123.7 2.2 89.6 8.9 31 33 A V E -ac 7 58A 0 26,-3.1 28,-3.4 -2,-0.6 2,-0.6 -0.896 24.1-160.1-118.1 139.4 3.5 92.2 11.4 32 34 A T E -ac 8 59A 0 -25,-2.8 -23,-2.2 -2,-0.4 2,-0.4 -0.957 18.3-170.5-110.4 113.6 6.5 92.3 13.7 33 35 A I E +ac 9 60A 0 26,-1.2 28,-2.8 -2,-0.6 2,-0.3 -0.860 10.7 174.7-105.9 142.7 5.9 94.9 16.5 34 36 A T E + c 0 61A 4 -25,-1.0 -22,-1.5 -2,-0.4 -21,-0.7 -0.979 14.8 130.8-149.1 159.9 8.7 95.9 18.8 35 37 A G E - c 0 62A 10 26,-1.3 28,-3.3 -2,-0.3 3,-0.1 -0.945 54.2-103.4 178.4-174.5 9.8 98.2 21.7 36 38 A R S S+ 0 0 173 -2,-0.3 2,-0.9 26,-0.2 28,-0.1 0.749 97.7 77.0-101.0 -34.2 11.6 98.0 25.0 37 39 A N > - 0 0 54 1,-0.2 4,-2.2 26,-0.1 5,-0.2 -0.708 61.4-167.4 -83.4 106.4 8.5 98.4 27.3 38 40 A E H > S+ 0 0 137 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.822 83.7 59.2 -63.5 -34.5 6.8 95.0 27.3 39 41 A D H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 111.9 38.5 -60.3 -50.0 3.7 96.4 29.0 40 42 A R H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.858 112.6 56.5 -71.1 -34.4 3.0 98.8 26.1 41 43 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.909 106.9 51.1 -62.4 -39.4 4.1 96.3 23.5 42 44 A E H X S+ 0 0 80 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.903 105.7 55.3 -62.6 -42.0 1.5 94.0 24.9 43 45 A E H X S+ 0 0 76 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.893 107.8 49.3 -58.9 -40.2 -1.1 96.8 24.6 44 46 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.962 110.8 49.0 -62.9 -50.8 -0.2 97.1 20.9 45 47 A K H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.894 109.7 54.6 -54.0 -42.1 -0.6 93.4 20.4 46 48 A Q H X S+ 0 0 66 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.900 105.7 49.8 -61.2 -44.6 -3.9 93.6 22.2 47 49 A Q H X S+ 0 0 71 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.876 111.2 50.6 -64.0 -35.9 -5.3 96.2 19.9 48 50 A I H <>S+ 0 0 0 -4,-2.0 5,-1.6 2,-0.2 3,-0.2 0.902 110.9 47.9 -68.1 -40.4 -4.3 94.2 16.9 49 51 A L H ><5S+ 0 0 54 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.884 108.9 54.2 -66.0 -38.8 -6.0 91.1 18.3 50 52 A K H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.751 97.9 65.5 -66.1 -24.7 -9.1 93.1 19.0 51 53 A A T 3<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.397 125.8-101.5 -78.2 3.1 -9.1 94.2 15.4 52 54 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.463 75.5 143.8 91.7 1.7 -9.8 90.6 14.5 53 55 A V < - 0 0 11 -5,-1.6 -1,-0.3 1,-0.1 2,-0.1 -0.588 52.0-117.4 -78.8 133.5 -6.2 89.8 13.5 54 56 A P > - 0 0 59 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.448 17.9-121.9 -71.2 141.2 -5.0 86.2 14.3 55 57 A A G > S+ 0 0 57 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.733 109.2 66.5 -54.1 -27.8 -2.1 85.9 16.8 56 58 A E G 3 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.1 3,-0.0 0.630 96.7 57.8 -71.1 -10.7 -0.0 83.9 14.2 57 59 A K G < S+ 0 0 62 -3,-2.5 -26,-3.1 1,-0.1 2,-0.5 0.555 98.0 71.3 -93.2 -11.7 0.1 87.1 12.2 58 60 A I E < -c 31 0A 16 -3,-1.2 2,-0.7 -4,-0.4 -26,-0.2 -0.930 56.7-172.2-117.2 122.9 1.7 89.2 15.0 59 61 A N E -c 32 0A 1 -28,-3.4 -26,-1.2 -2,-0.5 2,-0.4 -0.861 10.1-163.8-113.0 97.0 5.3 88.8 16.2 60 62 A A E -c 33 0A 42 -2,-0.7 2,-0.4 -28,-0.2 -26,-0.2 -0.670 9.0-175.9 -84.0 127.8 6.0 90.9 19.3 61 63 A V E -c 34 0A 12 -28,-2.8 -26,-1.3 -2,-0.4 2,-0.6 -0.980 19.0-147.0-129.8 122.5 9.7 91.4 20.1 62 64 A V E +c 35 0A 72 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.766 45.6 132.4 -86.3 122.5 11.1 93.1 23.1 63 65 A A - 0 0 13 -28,-3.3 2,-0.7 -2,-0.6 -26,-0.1 -0.993 59.2-115.7-166.9 159.6 14.3 94.9 22.1 64 66 A D > - 0 0 38 -2,-0.3 3,-1.6 1,-0.1 6,-0.4 -0.925 24.0-151.8-103.1 115.1 16.4 98.0 22.1 65 67 A V T 3 S+ 0 0 17 -2,-0.7 -1,-0.1 1,-0.3 59,-0.1 0.702 93.2 59.5 -61.0 -20.1 16.8 99.2 18.6 66 68 A T T 3 S+ 0 0 20 4,-0.1 2,-0.4 57,-0.0 -1,-0.3 0.643 92.2 80.6 -84.4 -14.2 20.1 100.8 19.3 67 69 A E S <> S- 0 0 105 -3,-1.6 4,-2.6 1,-0.1 3,-0.4 -0.795 77.2-137.8 -97.2 133.9 21.7 97.5 20.4 68 70 A A H > S+ 0 0 57 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.876 107.4 57.5 -52.3 -39.5 23.0 95.0 17.8 69 71 A S H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.915 108.6 44.5 -58.4 -45.2 21.4 92.3 19.9 70 72 A G H > S+ 0 0 3 -6,-0.4 4,-2.4 -3,-0.4 -2,-0.2 0.915 112.6 51.5 -66.6 -43.4 18.0 94.0 19.6 71 73 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 -7,-0.4 -2,-0.2 0.930 110.2 48.6 -59.5 -47.4 18.3 94.6 15.9 72 74 A D H X S+ 0 0 68 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.865 111.6 49.7 -62.5 -37.8 19.2 91.0 15.2 73 75 A D H X S+ 0 0 77 -4,-1.7 4,-2.1 -5,-0.2 5,-0.3 0.909 108.8 52.4 -68.7 -40.7 16.3 89.7 17.2 74 76 A I H X S+ 0 0 1 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.945 118.9 36.0 -58.6 -48.3 13.9 92.0 15.5 75 77 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.954 118.1 47.7 -72.1 -52.4 15.0 90.8 12.1 76 78 A N H X S+ 0 0 95 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.880 108.7 53.5 -59.0 -43.2 15.7 87.1 12.8 77 79 A T H X S+ 0 0 43 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.885 110.7 47.9 -61.5 -37.4 12.4 86.5 14.6 78 80 A T H X>S+ 0 0 0 -4,-1.0 4,-3.7 -5,-0.3 5,-0.6 0.945 113.9 46.2 -68.7 -45.5 10.5 87.9 11.6 79 81 A L H X5S+ 0 0 37 -4,-2.3 4,-1.2 3,-0.2 -2,-0.2 0.873 115.1 47.4 -63.0 -37.7 12.5 85.8 9.1 80 82 A A H <5S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 122.8 33.2 -70.8 -43.6 12.1 82.7 11.2 81 83 A K H <5S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.863 135.7 23.3 -80.6 -39.2 8.3 83.2 11.8 82 84 A F H <5S- 0 0 19 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.2 0.515 91.6-133.6-107.0 -8.9 7.4 84.8 8.4 83 85 A G S < + 0 0 43 -2,-0.1 3,-1.0 -3,-0.1 54,-0.2 -0.933 35.4 20.8-151.1 172.9 18.9 122.8 26.4 102 104 A N G > S- 0 0 60 52,-2.0 3,-2.2 -2,-0.3 52,-0.1 -0.035 116.0 -29.2 60.4-164.2 20.1 124.9 23.5 103 105 A T G 3 S+ 0 0 2 1,-0.3 -1,-0.2 343,-0.1 51,-0.1 0.545 131.4 73.8 -62.5 -1.7 23.6 124.8 22.1 104 106 A D G < + 0 0 89 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.620 61.7 118.9 -87.3 -14.3 24.7 123.9 25.6 105 107 A Q S < S- 0 0 9 -3,-2.2 5,-0.0 -4,-0.1 50,-0.0 -0.290 74.0-107.5 -52.0 134.8 23.4 120.3 25.5 106 108 A P >> - 0 0 30 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.279 14.8-117.0 -67.3 152.6 26.5 118.1 26.0 107 109 A V H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.793 115.5 66.1 -59.9 -25.5 28.1 116.0 23.3 108 110 A E H 3> S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.890 101.4 46.3 -63.6 -37.7 27.1 113.0 25.4 109 111 A L H <> S+ 0 0 4 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.874 111.0 55.1 -70.1 -34.4 23.4 113.8 24.8 110 112 A Y H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.946 106.8 48.7 -60.2 -51.6 24.4 114.3 21.1 111 113 A Q H X S+ 0 0 96 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.882 114.3 45.2 -58.1 -42.3 25.9 110.8 20.9 112 114 A K H X S+ 0 0 127 -4,-1.8 4,-1.6 2,-0.2 5,-0.2 0.899 112.2 51.9 -70.3 -39.2 22.9 109.2 22.5 113 115 A T H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 113.8 43.2 -64.4 -40.3 20.4 111.2 20.4 114 116 A F H X>S+ 0 0 2 -4,-2.5 5,-2.9 2,-0.2 4,-1.9 0.834 106.7 60.2 -75.3 -33.1 22.2 110.2 17.1 115 117 A K H <>S+ 0 0 76 -4,-1.9 5,-1.2 -5,-0.2 -1,-0.2 0.895 117.5 32.3 -62.0 -38.5 22.6 106.5 18.1 116 118 A L H <5S+ 0 0 26 -4,-1.6 -2,-0.2 3,-0.2 5,-0.2 0.961 126.6 37.0 -81.1 -58.2 18.8 106.2 18.4 117 119 A N H <5S+ 0 0 3 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.560 136.6 8.8 -75.7 -10.2 17.5 108.6 15.8 118 120 A F T X5S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 3,-0.4 0.610 123.7 48.6-133.5 -57.6 20.1 108.0 13.1 119 121 A Q H > S+ 0 0 7 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.919 110.1 50.0 -72.5 -43.1 18.3 103.6 11.1 122 124 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.961 115.3 44.5 -57.2 -50.9 21.6 103.1 9.3 123 125 A E H X S+ 0 0 25 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.920 113.2 47.3 -62.0 -48.3 22.0 99.7 11.0 124 126 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.892 114.1 50.6 -61.9 -36.7 18.4 98.5 10.5 125 127 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 3,-0.3 0.961 112.2 45.4 -65.5 -49.8 18.7 99.6 6.9 126 128 A Q H X S+ 0 0 48 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.898 116.6 45.4 -60.3 -41.9 22.0 97.7 6.3 127 129 A K H < S+ 0 0 65 -4,-2.9 4,-0.2 -5,-0.2 -1,-0.2 0.707 117.9 41.7 -77.1 -21.0 20.8 94.6 8.1 128 130 A T H >X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.3 3,-1.0 0.737 90.9 88.1 -96.8 -25.2 17.4 94.4 6.3 129 131 A K H >X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.3 3,-0.8 0.857 83.3 54.7 -33.0 -69.2 18.5 95.4 2.8 130 132 A E H 3X S+ 0 0 125 -4,-0.5 4,-0.9 1,-0.3 -1,-0.3 0.825 113.1 42.8 -39.3 -46.6 19.3 91.9 1.6 131 133 A H H <> S+ 0 0 30 -3,-1.0 4,-1.1 -4,-0.2 -46,-0.3 0.818 112.3 53.8 -75.2 -30.7 15.9 90.6 2.5 132 134 A L H <<>S+ 0 0 0 -4,-1.9 5,-3.3 -3,-0.8 4,-0.4 0.847 108.5 47.8 -72.6 -35.2 14.2 93.7 1.1 133 135 A I H <5S+ 0 0 59 -4,-2.6 3,-0.2 -5,-0.2 -1,-0.2 0.780 105.2 63.0 -76.0 -21.4 15.9 93.3 -2.3 134 136 A K H <5S+ 0 0 132 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.2 0.865 117.2 27.0 -66.6 -37.1 14.8 89.7 -2.2 135 137 A T T <5S- 0 0 34 -4,-1.1 -1,-0.2 -50,-0.3 -2,-0.2 0.280 108.0-115.2-109.4 9.2 11.2 90.7 -2.2 136 138 A K T 5 + 0 0 103 -4,-0.4 -3,-0.2 -3,-0.2 -4,-0.1 0.970 63.9 173.2 52.9 52.7 11.5 94.1 -4.0 137 139 A G < - 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0 0 0 -5,-2.0 2,-0.7 -26,-0.2 -1,-0.2 -0.547 52.8-126.2 -91.7 155.9 43.5 140.0 11.0 305 32 B Q E -h 281 0C 42 -25,-3.1 -23,-3.1 -28,-0.2 2,-0.4 -0.907 41.7-159.1 -95.2 119.5 45.5 138.1 13.6 306 33 B V E -hj 282 333C 0 26,-2.3 28,-3.0 -2,-0.7 2,-0.7 -0.878 24.9-153.2-116.6 139.3 45.0 134.5 12.4 307 34 B T E -hj 283 334C 0 -25,-3.2 -23,-2.3 -2,-0.4 2,-0.4 -0.912 22.2-169.9-101.4 110.9 45.2 131.1 14.0 308 35 B I E +hj 284 335C 0 26,-1.3 28,-2.6 -2,-0.7 2,-0.3 -0.862 12.5 172.8-102.4 139.3 46.0 128.6 11.3 309 36 B T E + j 0 336C 4 -25,-1.0 -22,-1.9 -2,-0.4 -21,-0.6 -0.984 14.2 127.0-149.4 159.3 45.9 124.9 12.1 310 37 B G E - j 0 337C 10 26,-1.4 28,-2.9 -2,-0.3 3,-0.1 -0.944 54.7-101.5 179.6-168.6 46.0 121.4 10.8 311 38 B R S S+ 0 0 178 -2,-0.3 2,-1.0 26,-0.2 28,-0.1 0.711 93.7 83.1-107.7 -33.0 47.8 118.1 11.3 312 39 B N > - 0 0 56 1,-0.2 4,-2.5 26,-0.1 5,-0.2 -0.647 61.9-163.5 -80.3 103.0 50.4 118.2 8.4 313 40 B E H > S+ 0 0 141 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.832 86.0 51.5 -53.8 -40.8 53.3 120.2 9.8 314 41 B D H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 113.2 42.6 -66.7 -47.0 54.8 120.8 6.3 315 42 B R H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.853 111.5 55.3 -68.5 -33.5 51.6 122.1 4.8 316 43 B L H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.919 108.5 49.4 -63.4 -40.7 50.8 124.2 7.8 317 44 B E H X S+ 0 0 87 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.873 106.4 56.0 -64.1 -38.8 54.2 125.8 7.5 318 45 B E H X S+ 0 0 84 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.888 107.3 49.0 -61.4 -39.5 53.5 126.4 3.8 319 46 B T H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.940 110.3 51.2 -64.6 -46.9 50.3 128.4 4.7 320 47 B K H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.903 109.4 50.6 -55.7 -45.2 52.3 130.4 7.3 321 48 B Q H X S+ 0 0 60 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.846 106.7 53.8 -64.1 -36.1 54.9 131.2 4.6 322 49 B Q H X S+ 0 0 68 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.893 110.9 47.1 -66.2 -38.0 52.2 132.4 2.2 323 50 B I H ><>S+ 0 0 0 -4,-2.0 5,-1.6 2,-0.2 3,-0.9 0.937 113.6 47.1 -68.0 -45.4 50.9 134.7 4.9 324 51 B L H ><5S+ 0 0 52 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.924 108.1 55.9 -60.6 -44.1 54.4 136.0 5.7 325 52 B K H 3<5S+ 0 0 154 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.699 98.0 64.3 -61.2 -18.7 55.1 136.4 2.0 326 53 B A T <<5S- 0 0 46 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.492 125.9-102.4 -82.9 -3.4 52.0 138.7 1.9 327 54 B G T < 5S+ 0 0 64 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.580 74.3 145.0 93.3 12.4 53.8 141.1 4.2 328 55 B V < - 0 0 12 -5,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.724 52.2-117.2 -87.4 127.1 52.0 140.0 7.4 329 56 B P > - 0 0 62 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.324 19.4-120.6 -63.6 143.4 54.2 140.1 10.5 330 57 B A G > S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 -6,-0.0 0.771 108.6 66.3 -55.1 -31.3 54.8 136.7 12.2 331 58 B E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 3,-0.1 -26,-0.0 0.690 94.4 59.8 -67.6 -15.3 53.3 137.9 15.5 332 59 B K G < S+ 0 0 51 -3,-2.0 -26,-2.3 -27,-0.1 2,-0.4 0.269 97.1 76.6 -93.5 10.2 49.9 138.2 13.8 333 60 B I E < -j 306 0C 6 -3,-1.8 2,-0.6 -28,-0.2 -26,-0.2 -0.983 55.0-173.5-126.7 127.8 50.1 134.4 13.0 334 61 B N E -j 307 0C 19 -28,-3.0 -26,-1.3 -2,-0.4 2,-0.6 -0.873 10.8-168.6-121.4 96.6 49.4 131.6 15.4 335 62 B A E -j 308 0C 43 -2,-0.6 2,-0.5 -28,-0.2 -26,-0.2 -0.762 6.4-174.5 -90.1 122.3 50.2 128.2 13.8 336 63 B V E -j 309 0C 7 -28,-2.6 -26,-1.4 -2,-0.6 2,-0.8 -0.963 19.5-148.1-123.0 123.9 48.9 125.2 15.7 337 64 B V E +j 310 0C 69 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.789 47.8 130.2 -88.2 113.3 49.6 121.6 14.9 338 65 B A - 0 0 13 -28,-2.9 2,-0.7 -2,-0.8 -26,-0.1 -0.994 61.4-114.9-160.7 162.7 46.5 119.7 16.1 339 66 B D > - 0 0 50 -2,-0.3 3,-2.3 1,-0.1 6,-0.3 -0.925 25.7-148.9-103.5 112.9 43.8 117.2 15.4 340 67 B V T 3 S+ 0 0 17 -2,-0.7 -1,-0.1 1,-0.3 59,-0.1 0.628 95.5 58.6 -59.7 -14.0 40.5 119.1 15.5 341 68 B T T 3 S+ 0 0 20 57,-0.0 2,-0.4 4,-0.0 -1,-0.3 0.538 89.4 87.5 -92.2 -9.4 38.7 116.0 16.7 342 69 B E S <> S- 0 0 97 -3,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.775 75.2-139.1 -92.9 134.4 40.9 115.6 19.8 343 70 B A H > S+ 0 0 56 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.937 105.7 46.9 -54.8 -51.1 39.8 117.5 22.9 344 71 B S H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.833 110.8 53.8 -62.3 -32.7 43.4 118.6 23.7 345 72 B G H > S+ 0 0 6 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.914 110.4 45.6 -67.2 -42.7 43.9 119.6 20.1 346 73 B Q H X S+ 0 0 1 -4,-2.4 4,-2.5 -7,-0.3 -2,-0.2 0.936 113.9 49.1 -63.4 -48.3 40.8 121.9 20.2 347 74 B D H X S+ 0 0 66 -4,-2.8 4,-3.8 1,-0.2 5,-0.3 0.904 109.8 52.0 -58.0 -44.5 41.9 123.3 23.6 348 75 B D H X S+ 0 0 75 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.918 109.8 49.2 -59.1 -45.9 45.4 123.9 22.2 349 76 B I H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.936 119.1 38.0 -58.4 -50.0 43.9 125.8 19.2 350 77 B I H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 116.8 48.8 -70.2 -47.9 41.7 128.0 21.4 351 78 B N H X S+ 0 0 95 -4,-3.8 4,-3.2 1,-0.2 5,-0.2 0.919 110.9 49.5 -62.4 -44.8 44.1 128.5 24.3 352 79 B T H X S+ 0 0 38 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.851 111.6 49.3 -64.9 -33.7 47.0 129.5 22.2 353 80 B T H X>S+ 0 0 0 -4,-1.2 4,-2.8 -5,-0.3 5,-0.6 0.890 113.9 45.9 -72.5 -35.6 44.9 132.0 20.2 354 81 B L H X5S+ 0 0 37 -4,-2.1 4,-2.0 3,-0.2 -2,-0.2 0.941 113.9 48.7 -69.8 -45.1 43.6 133.5 23.5 355 82 B A H <5S+ 0 0 89 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 121.9 34.5 -61.9 -44.2 47.1 133.6 25.1 356 83 B K H <5S+ 0 0 99 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.892 134.6 22.0 -83.0 -37.8 48.5 135.3 22.0 357 84 B F H <5S- 0 0 19 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.608 91.3-136.6-103.2 -16.3 45.7 137.5 20.7 358 85 B G S < + 0 0 42 -2,-0.2 3,-0.9 -3,-0.1 54,-0.2 -0.910 37.7 21.2-148.1 173.3 31.0 102.8 -1.0 377 104 B N G > S- 0 0 58 52,-1.9 3,-2.0 -2,-0.3 52,-0.1 -0.046 115.9 -30.7 61.1-162.9 27.2 103.2 -1.1 378 105 B T G 3 S+ 0 0 0 1,-0.3 -1,-0.2 -207,-0.1 51,-0.1 0.559 130.5 74.8 -65.8 -3.1 24.9 102.2 1.8 379 106 B D G < + 0 0 89 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.570 62.6 120.2 -85.8 -9.2 27.5 99.4 2.4 380 107 B Q S < S- 0 0 9 -3,-2.0 5,-0.0 1,-0.1 50,-0.0 -0.339 73.3-106.2 -56.4 133.5 30.0 101.8 4.0 381 108 B P >> - 0 0 31 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.195 15.0-120.5 -62.2 152.3 30.6 100.5 7.6 382 109 B V H 3> S+ 0 0 17 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.795 113.8 65.7 -64.4 -26.1 29.2 102.3 10.7 383 110 B E H 3> S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.892 101.9 47.5 -62.6 -36.7 32.8 102.7 11.8 384 111 B L H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.837 110.0 54.0 -70.9 -32.3 33.3 104.9 8.8 385 112 B Y H X S+ 0 0 9 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.924 108.0 49.5 -65.4 -44.4 30.1 106.7 9.8 386 113 B Q H X S+ 0 0 97 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.916 114.8 42.6 -62.0 -45.7 31.5 107.3 13.3 387 114 B K H X S+ 0 0 123 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.911 113.4 53.2 -68.3 -42.0 34.8 108.7 12.1 388 115 B T H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.932 114.8 39.9 -59.1 -47.6 33.1 110.8 9.4 389 116 B F H X>S+ 0 0 2 -4,-2.6 5,-3.0 1,-0.2 4,-1.8 0.835 107.4 64.3 -71.7 -30.5 30.7 112.4 11.8 390 117 B K H <>S+ 0 0 63 -4,-2.0 5,-1.3 -5,-0.3 -1,-0.2 0.923 116.9 27.6 -57.1 -45.0 33.5 112.8 14.4 391 118 B L H <5S+ 0 0 25 -4,-1.9 -2,-0.2 3,-0.2 5,-0.2 0.945 126.8 39.8 -82.0 -56.2 35.3 115.1 12.1 392 119 B N H <5S+ 0 0 2 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.604 135.3 8.3 -74.7 -13.5 32.6 116.8 9.9 393 120 B F T >X5S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 3,-0.7 0.633 122.6 49.2-131.7 -59.9 30.1 117.2 12.7 394 121 B Q H 3> S+ 0 0 7 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.894 109.2 49.3 -71.2 -39.9 32.1 121.5 14.8 397 124 B I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.953 113.7 46.5 -61.1 -50.5 29.8 121.1 17.9 398 125 B E H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.905 112.6 46.9 -61.1 -46.4 32.8 121.1 20.2 399 126 B M H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.899 113.5 51.0 -64.1 -38.5 34.6 124.1 18.6 400 127 B T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.943 112.6 44.9 -63.4 -47.8 31.4 126.0 18.7 401 128 B Q H < S+ 0 0 46 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.871 116.3 45.5 -64.6 -39.0 30.8 125.2 22.4 402 129 B K H < S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.658 119.1 41.7 -79.4 -17.0 34.4 125.9 23.4 403 130 B T H >X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 3,-1.0 0.737 91.2 89.0 -99.7 -27.4 34.5 129.2 21.4 404 131 B K H 3X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.3 3,-0.5 0.838 85.0 49.1 -32.0 -71.2 31.0 130.5 22.3 405 132 B E H 3> S+ 0 0 124 -4,-0.5 4,-1.0 1,-0.3 -1,-0.3 0.815 114.0 47.2 -47.7 -38.4 31.8 132.5 25.4 406 133 B H H <> S+ 0 0 26 -3,-1.0 4,-0.8 2,-0.2 -46,-0.4 0.877 110.1 52.2 -74.3 -36.2 34.7 134.2 23.7 407 134 B L H X>S+ 0 0 0 -4,-2.1 5,-3.0 -3,-0.5 4,-0.7 0.846 108.0 52.2 -67.4 -33.6 32.7 135.1 20.6 408 135 B I H <5S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.806 102.1 59.0 -75.5 -24.4 29.9 136.6 22.7 409 136 B K H <5S+ 0 0 159 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.751 119.5 30.5 -72.6 -21.3 32.5 138.8 24.5 410 137 B T H <5S- 0 0 40 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.385 106.7-123.4-113.1 0.1 33.4 140.3 21.2 411 138 B K T <5 + 0 0 128 -4,-0.7 -3,-0.2 43,-0.2 -4,-0.1 0.970 60.1 165.3 51.6 55.3 30.0 139.9 19.5 412 139 B G < - 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