==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 29-SEP-04 1XKQ . COMPND 2 MOLECULE: SHORT-CHAIN REDUCTASE FAMILY MEMBER (5D234); . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR N.SCHORMANN,J.ZHOU,E.KARPOVA,Y.ZHANG,J.SYMERSKY,B.BUNZEL,W.- . 1085 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 851 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 0.2 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 . 78 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.7 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 7 1 0 0 0 0 0 4 11 5 0 4 0 4 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 8 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 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 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 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 2 A P > 0 0 118 0, 0.0 3,-1.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -26.4 -36.1 87.1 6.8 2 3 A R T 3 + 0 0 96 1,-0.3 27,-0.1 28,-0.0 26,-0.1 0.874 360.0 25.9 -57.7 -40.7 -35.9 83.3 7.2 3 4 A F T > S+ 0 0 7 25,-2.2 3,-1.4 22,-0.2 -1,-0.3 -0.056 84.5 151.3-116.6 30.9 -32.1 83.4 7.8 4 5 A S T < S+ 0 0 57 -3,-1.2 26,-0.2 1,-0.3 25,-0.1 -0.440 75.2 11.4 -65.0 131.9 -31.7 87.0 9.2 5 6 A N T 3 S+ 0 0 134 24,-1.1 2,-0.4 1,-0.3 -1,-0.3 0.805 101.0 125.3 68.7 30.2 -28.7 87.2 11.5 6 7 A K < - 0 0 91 -3,-1.4 25,-2.8 23,-0.3 2,-0.6 -0.960 52.4-143.9-119.9 138.1 -27.5 83.8 10.4 7 8 A T E -a 31 0A 0 -2,-0.4 80,-2.4 23,-0.2 81,-2.4 -0.912 20.4-174.9-108.6 122.1 -24.0 83.2 9.0 8 9 A V E -ab 32 88A 1 23,-2.7 25,-2.5 -2,-0.6 2,-0.5 -0.944 17.2-157.5-122.0 133.9 -23.6 80.7 6.2 9 10 A I E -ab 33 89A 0 79,-2.4 81,-2.8 -2,-0.4 2,-0.6 -0.929 11.0-171.1-105.6 123.7 -20.5 79.3 4.5 10 11 A I E > -ab 34 90A 0 23,-2.3 25,-0.9 -2,-0.5 3,-0.6 -0.917 10.4-153.9-116.4 103.3 -21.3 77.8 1.0 11 12 A T T 3 S+ 0 0 4 79,-2.1 81,-0.2 -2,-0.6 25,-0.1 -0.405 80.0 24.5 -71.8 155.1 -18.3 76.0 -0.4 12 13 A G T 3 S+ 0 0 18 80,-0.2 6,-0.5 1,-0.1 3,-0.5 0.897 77.2 144.4 58.4 42.8 -18.1 75.9 -4.2 13 14 A S < + 0 0 0 22,-2.0 23,-0.2 -3,-0.6 -1,-0.1 0.157 45.2 86.5 -98.8 19.8 -20.3 79.0 -4.5 14 15 A S S S+ 0 0 11 21,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.296 102.6 6.1 -97.9 9.2 -18.5 80.3 -7.6 15 16 A N S >> S- 0 0 50 -3,-0.5 4,-1.1 27,-0.1 3,-0.7 -0.957 107.2 -3.1-178.1 161.7 -20.7 78.3 -9.9 16 17 A G H 3> S- 0 0 9 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 -0.047 118.1 -1.8 50.8-137.0 -23.8 76.0 -10.1 17 18 A I H 3> S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 133.2 54.0 -54.2 -44.7 -25.6 74.8 -7.0 18 19 A G H <> S+ 0 0 0 -3,-0.7 4,-2.3 -6,-0.5 -5,-0.3 0.866 106.7 51.9 -61.4 -38.6 -23.3 76.7 -4.7 19 20 A R H X S+ 0 0 42 -4,-1.1 4,-2.4 -7,-0.3 -2,-0.2 0.969 114.2 40.8 -62.9 -53.6 -23.8 80.0 -6.4 20 21 A T H X S+ 0 0 18 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.868 114.1 53.5 -64.1 -37.6 -27.6 79.9 -6.4 21 22 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.940 109.9 47.6 -62.1 -47.0 -27.6 78.5 -2.8 22 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 112.4 51.0 -59.9 -42.9 -25.4 81.4 -1.7 23 24 A I H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 110.8 46.4 -61.5 -48.3 -27.7 83.8 -3.5 24 25 A L H X S+ 0 0 36 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.883 111.3 52.6 -63.4 -38.3 -30.9 82.5 -2.0 25 26 A F H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.3 0.918 110.2 47.7 -62.5 -45.0 -29.4 82.5 1.5 26 27 A A H ><5S+ 0 0 5 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.923 110.0 51.9 -62.5 -44.9 -28.3 86.2 1.1 27 28 A Q H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 103.7 59.9 -63.7 -22.6 -31.8 87.1 -0.1 28 29 A E T 3<5S- 0 0 41 -4,-1.1 -25,-2.2 -3,-0.3 -1,-0.3 0.263 130.3 -95.9 -88.0 10.7 -33.1 85.4 3.0 29 30 A G T < 5S+ 0 0 24 -3,-2.0 -24,-1.1 1,-0.2 -23,-0.3 0.450 76.9 142.9 92.1 3.5 -31.2 87.8 5.1 30 31 A A < - 0 0 0 -5,-2.3 2,-0.5 -26,-0.2 -1,-0.2 -0.366 54.2-123.8 -82.2 155.3 -28.0 85.8 5.8 31 32 A N E -a 7 0A 21 -25,-2.8 -23,-2.7 -28,-0.2 2,-0.4 -0.804 42.6-160.4 -86.0 134.2 -24.4 86.8 6.0 32 33 A V E -ac 8 59A 0 26,-3.1 28,-2.7 -2,-0.5 2,-0.6 -0.970 25.4-156.1-131.5 140.1 -22.7 84.7 3.5 33 34 A T E -ac 9 60A 0 -25,-2.5 -23,-2.3 -2,-0.4 2,-0.4 -0.948 20.2-168.1-106.6 116.3 -19.2 83.5 2.8 34 35 A I E +ac 10 61A 0 26,-2.4 28,-2.7 -2,-0.6 2,-0.3 -0.858 12.8 171.7-105.0 142.7 -18.8 82.6 -0.9 35 36 A T E + c 0 62A 3 -25,-0.9 -22,-2.0 -2,-0.4 -21,-0.5 -0.996 14.2 124.5-153.0 156.7 -15.7 80.7 -2.1 36 37 A G E - c 0 63A 9 26,-1.4 28,-2.3 -2,-0.3 3,-0.0 -0.941 57.1 -98.7 175.0-175.9 -14.1 78.9 -5.0 37 38 A R S S+ 0 0 181 -2,-0.3 2,-1.0 26,-0.2 -1,-0.1 0.813 95.3 81.6 -96.7 -38.0 -10.9 79.1 -7.0 38 39 A S > - 0 0 42 1,-0.2 4,-2.3 26,-0.1 5,-0.2 -0.601 60.0-167.0 -75.4 102.7 -12.0 81.0 -10.1 39 40 A S H > S+ 0 0 65 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.799 84.4 56.0 -58.4 -33.7 -11.8 84.6 -9.0 40 41 A E H > S+ 0 0 146 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.938 112.0 39.6 -67.2 -48.0 -13.8 85.8 -12.1 41 42 A R H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.824 111.6 58.3 -72.6 -29.8 -16.8 83.5 -11.5 42 43 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 106.3 48.9 -65.7 -41.3 -16.7 84.1 -7.7 43 44 A E H X S+ 0 0 65 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.867 105.6 58.0 -65.1 -35.7 -17.0 87.9 -8.3 44 45 A E H X S+ 0 0 93 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.934 105.3 50.7 -59.1 -44.7 -20.0 87.2 -10.7 45 46 A T H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.910 111.1 49.0 -58.4 -42.2 -21.7 85.4 -7.8 46 47 A R H X S+ 0 0 50 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.917 108.5 52.2 -64.7 -44.9 -21.0 88.5 -5.6 47 48 A Q H X S+ 0 0 74 -4,-3.0 4,-3.6 1,-0.2 -1,-0.2 0.930 106.4 53.4 -58.4 -46.0 -22.3 90.9 -8.1 48 49 A I H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.3 46.1 -56.5 -38.9 -25.6 89.0 -8.5 49 50 A I H ><>S+ 0 0 1 -4,-1.5 5,-1.3 -5,-0.2 3,-1.1 0.931 115.7 44.7 -70.6 -44.3 -26.0 89.2 -4.7 50 51 A L H ><5S+ 0 0 30 -4,-2.9 3,-2.8 1,-0.3 4,-0.2 0.935 105.6 59.3 -65.4 -47.0 -25.1 92.9 -4.5 51 52 A K T 3<5S+ 0 0 148 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.1 0.209 97.7 66.5 -69.5 21.5 -27.3 93.9 -7.5 52 53 A S T < 5S- 0 0 58 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.355 126.7 -94.8-117.9 -4.2 -30.1 92.4 -5.4 53 54 A G T < 5S+ 0 0 74 -3,-2.8 2,-0.5 1,-0.3 -3,-0.2 0.465 79.5 141.5 101.4 4.2 -29.9 95.1 -2.7 54 55 A V < - 0 0 23 -5,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 -0.698 52.7-121.1 -84.1 124.5 -27.6 93.1 -0.4 55 56 A S > - 0 0 71 -2,-0.5 3,-2.2 1,-0.1 4,-0.2 -0.307 16.2-121.4 -64.0 144.4 -25.0 95.2 1.3 56 57 A E G > S+ 0 0 117 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.674 110.1 68.1 -59.6 -19.0 -21.3 94.3 0.7 57 58 A K G 3 S+ 0 0 150 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.606 92.3 59.6 -77.5 -11.3 -20.9 93.8 4.4 58 59 A Q G < S+ 0 0 66 -3,-2.2 -26,-3.1 -27,-0.1 2,-0.4 0.394 99.7 73.0 -94.2 1.4 -23.2 90.7 4.3 59 60 A V E < -c 32 0A 8 -3,-1.0 2,-0.5 -28,-0.2 -26,-0.2 -0.963 53.7-174.5-125.5 133.8 -20.8 89.1 1.8 60 61 A N E -c 33 0A 21 -28,-2.7 -26,-2.4 -2,-0.4 2,-0.5 -0.944 12.9-164.4-125.6 106.0 -17.4 87.5 2.4 61 62 A S E -c 34 0A 44 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.812 9.2-177.9 -95.2 126.8 -15.7 86.4 -0.9 62 63 A V E -c 35 0A 9 -28,-2.7 -26,-1.4 -2,-0.5 2,-0.6 -0.980 18.3-153.5-131.3 122.3 -12.8 84.0 -0.5 63 64 A V E +c 36 0A 85 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.828 44.3 128.9 -92.0 120.9 -10.6 82.6 -3.3 64 65 A A - 0 0 17 -28,-2.3 2,-0.7 -2,-0.6 -26,-0.1 -0.993 62.3-108.3-168.1 161.8 -9.2 79.3 -2.2 65 66 A D > - 0 0 61 -2,-0.3 3,-1.6 1,-0.1 6,-0.4 -0.875 25.4-158.3 -98.6 111.2 -8.6 75.6 -2.8 66 67 A V T 3 S+ 0 0 18 -2,-0.7 -1,-0.1 1,-0.3 61,-0.1 0.547 86.6 66.5 -69.1 -5.5 -10.9 73.7 -0.4 67 68 A T T 3 S+ 0 0 23 59,-0.0 2,-0.3 4,-0.0 -1,-0.3 0.577 90.7 77.0 -90.5 -10.0 -8.7 70.6 -0.7 68 69 A T S <> S- 0 0 48 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.723 82.3-126.2-103.0 151.9 -5.7 72.3 1.1 69 70 A E H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.908 112.3 50.0 -58.1 -43.2 -5.3 73.0 4.8 70 71 A D H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 110.1 48.2 -64.5 -43.8 -4.6 76.6 4.1 71 72 A G H > S+ 0 0 2 -6,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.903 112.3 49.6 -64.3 -41.1 -7.7 77.1 1.9 72 73 A Q H X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.3 5,-0.2 0.928 111.7 47.7 -63.3 -46.6 -9.9 75.4 4.4 73 74 A D H X S+ 0 0 60 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.890 110.0 53.3 -62.9 -39.4 -8.6 77.6 7.3 74 75 A Q H X S+ 0 0 96 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.913 107.6 51.0 -62.3 -43.9 -9.0 80.7 5.2 75 76 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.943 119.2 35.3 -58.8 -51.5 -12.7 80.0 4.5 76 77 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.953 119.5 48.3 -69.0 -51.4 -13.6 79.4 8.1 77 78 A N H X S+ 0 0 79 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.868 110.9 49.2 -60.8 -40.8 -11.3 82.0 9.7 78 79 A S H X S+ 0 0 18 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.843 109.8 54.7 -68.5 -30.5 -12.3 84.8 7.3 79 80 A T H X S+ 0 0 0 -4,-1.0 4,-2.8 -5,-0.3 5,-0.5 0.925 111.1 43.7 -67.0 -43.7 -15.9 84.0 8.1 80 81 A L H X S+ 0 0 39 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.915 114.1 49.3 -67.4 -43.0 -15.4 84.3 11.8 81 82 A K H < S+ 0 0 188 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.781 119.5 39.2 -68.2 -25.4 -13.3 87.5 11.5 82 83 A Q H < S+ 0 0 88 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.880 133.4 17.4 -90.3 -44.6 -16.0 89.0 9.3 83 84 A F H < S- 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.576 91.2-127.0-108.0 -13.1 -19.3 87.8 10.9 84 85 A G S < S+ 0 0 62 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.373 78.7 24.9 84.6 -6.3 -18.2 86.7 14.4 85 86 A K - 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0 0 5 -2,-0.3 20,-0.0 102,-0.2 -2,-0.0 -0.738 43.1-148.0 -91.5 87.8 -16.2 64.2 -11.1 97 98 A I - 0 0 42 -2,-1.4 64,-0.1 15,-0.1 19,-0.1 -0.394 16.4-131.2 -58.7 123.8 -12.5 64.7 -11.8 98 99 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.393 15.9-105.6 -80.1 156.3 -11.8 63.3 -15.3 99 100 A D > - 0 0 15 4,-0.4 3,-2.3 1,-0.1 9,-0.0 -0.623 26.8-128.9 -77.7 135.6 -8.9 60.9 -16.2 100 101 A A T 3 S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.753 111.2 45.8 -58.0 -25.0 -6.3 62.8 -18.2 101 102 A F T 3 S- 0 0 180 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.153 119.4-109.6-104.1 17.6 -6.4 60.1 -20.9 102 103 A G < + 0 0 63 -3,-2.3 2,-0.2 1,-0.2 -2,-0.1 0.626 65.8 156.0 66.7 13.6 -10.2 60.1 -21.0 103 104 A T - 0 0 47 4,-0.1 -4,-0.4 -5,-0.0 2,-0.3 -0.500 17.7-178.3 -76.6 140.7 -10.3 56.6 -19.3 104 105 A T > + 0 0 58 -2,-0.2 3,-0.6 4,-0.1 54,-0.2 -0.797 39.5 35.6-128.3 171.3 -13.4 55.6 -17.4 105 106 A G G > S- 0 0 1 52,-3.3 3,-2.1 -2,-0.3 54,-0.2 -0.368 116.0 -27.4 84.0-165.1 -14.3 52.5 -15.4 106 107 A T G 3 S+ 0 0 1 1,-0.3 -1,-0.2 50,-0.2 51,-0.1 0.774 131.7 67.9 -56.6 -28.7 -12.1 50.3 -13.2 107 108 A D G < + 0 0 80 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.603 67.7 123.8 -70.7 -13.9 -9.2 51.4 -15.4 108 109 A Q S < S- 0 0 1 -3,-2.1 -4,-0.1 49,-0.1 5,-0.1 -0.238 73.9 -99.2 -49.8 135.6 -9.3 55.0 -14.2 109 110 A G >> - 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0 0 117 -36,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.888 25.4-112.8-121.3 154.7 -32.0 29.4 -14.5 1048 232 D P H >> S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 3,-0.9 0.894 117.4 56.1 -49.8 -46.2 -34.1 27.6 -11.8 1049 233 D E H 3> S+ 0 0 88 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.810 97.6 63.1 -58.3 -32.9 -31.0 25.9 -10.5 1050 234 D H H <> S+ 0 0 23 -3,-1.1 4,-0.6 1,-0.2 -1,-0.3 0.861 111.5 36.8 -62.2 -35.3 -29.3 29.3 -9.9 1051 235 D I H X - 0 0 11 -4,-1.4 4,-2.5 -3,-0.2 3,-1.1 -0.660 60.0-176.9 -86.2 86.2 -27.9 24.7 5.3 1061 245 D R H 3> S+ 0 0 54 -2,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.849 77.5 61.1 -52.5 -41.4 -27.5 26.1 8.8 1062 246 D N H 34 S+ 0 0 136 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.862 118.0 30.2 -56.8 -35.2 -24.0 24.6 9.2 1063 247 D L H <4 S+ 0 0 56 -3,-1.1 3,-0.3 -6,-0.2 -2,-0.2 0.940 132.1 28.1 -88.5 -56.5 -22.8 26.7 6.2 1064 248 D S H >< S+ 0 0 1 -4,-2.5 3,-3.1 -7,-0.7 -3,-0.2 0.312 78.7 130.8 -91.9 7.4 -24.9 29.9 6.2 1065 249 D F T 3< + 0 0 36 -4,-1.9 -1,-0.2 -5,-0.3 -3,-0.1 0.727 68.1 52.1 -25.2 -60.5 -25.6 30.0 10.0 1066 250 D Y T 3 S+ 0 0 1 -3,-0.3 -262,-2.5 -5,-0.1 2,-0.6 0.521 87.1 95.6 -67.5 -5.4 -24.6 33.7 10.6 1067 251 D I < + 0 0 0 -3,-3.1 2,-0.3 -265,-0.2 -265,-0.2 -0.794 54.2 163.2 -86.6 122.2 -26.9 34.9 7.8 1068 252 D L + 0 0 0 -2,-0.6 -263,-0.2 -267,-0.3 -265,-0.2 -0.978 54.9 2.1-147.4 130.6 -30.2 36.0 9.3 1069 253 D G S S+ 0 0 1 -66,-2.4 2,-0.3 -2,-0.3 -65,-0.2 0.772 94.3 130.4 70.5 26.5 -33.1 38.1 8.2 1070 254 D Q - 0 0 38 -67,-0.3 -65,-2.4 -81,-0.1 2,-0.6 -0.847 49.6-153.6-115.5 149.8 -31.5 38.7 4.8 1071 255 D S E -c 1005 0I 21 -2,-0.3 -65,-0.3 -67,-0.2 2,-0.2 -0.906 23.1-142.9-120.8 99.5 -32.9 38.3 1.2 1072 256 D I E -c 1006 0I 9 -67,-2.2 -65,-3.5 -2,-0.6 2,-0.5 -0.425 12.7-132.5 -65.2 126.9 -29.9 37.7 -1.1 1073 257 D V E +c 1007 0I 26 -67,-0.2 2,-0.4 -2,-0.2 -277,-0.3 -0.706 27.4 175.8 -84.3 126.6 -30.3 39.4 -4.5 1074 258 D A E +c 1008 0I 0 -67,-2.2 -65,-2.1 -2,-0.5 -279,-0.2 -0.800 30.8 124.5-132.3 88.2 -29.6 37.1 -7.4 1075 259 D D S > S- 0 0 0 -2,-0.4 3,-2.2 -281,-0.4 -65,-0.3 0.151 78.7-108.1-134.8 20.5 -30.3 39.0 -10.6 1076 260 D G T 3 S- 0 0 0 -282,-2.7 -34,-2.2 1,-0.3 -33,-0.2 0.694 83.1 -57.9 59.7 15.5 -27.1 38.8 -12.7 1077 261 D G T > S+ 0 0 0 -283,-0.3 3,-1.5 -281,-0.2 4,-0.4 0.431 100.8 133.6 95.2 0.7 -26.7 42.5 -11.8 1078 262 D T G X S+ 0 0 7 -3,-2.2 3,-1.5 1,-0.3 -812,-0.5 0.887 71.7 49.1 -49.8 -50.5 -30.1 43.7 -13.2 1079 263 D S G 3 S+ 0 0 15 1,-0.3 -1,-0.3 -814,-0.1 -39,-0.1 0.587 101.1 67.4 -70.4 -8.8 -31.0 45.8 -10.2 1080 264 D L G < S+ 0 0 6 -3,-1.5 -926,-2.2 -927,-0.1 2,-0.5 0.539 83.8 87.6 -88.8 -6.5 -27.6 47.5 -10.2 1081 265 D V < - 0 0 7 -3,-1.5 -815,-2.6 -4,-0.4 -814,-0.2 -0.834 68.6-142.3-104.2 129.9 -28.2 49.3 -13.5 1082 266 D M B > -H 265 0C 4 -2,-0.5 3,-0.8 -928,-0.3 -817,-0.2 -0.490 24.9-115.8 -80.3 150.1 -29.8 52.7 -13.7 1083 267 D G G > S+ 0 0 0 -819,-2.1 3,-1.2 -822,-0.5 -861,-0.1 0.822 115.3 57.1 -56.3 -33.1 -32.2 53.5 -16.6 1084 268 D T G >> S+ 0 0 25 -823,-0.3 3,-1.4 1,-0.2 4,-0.9 0.845 92.7 68.8 -67.4 -34.2 -29.8 56.2 -17.9 1085 269 D Q G <4 S+ 0 0 38 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.472 78.6 80.0 -66.5 -0.2 -27.0 53.7 -18.2 1086 270 D A G <4 S+ 0 0 22 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.291 107.6 26.7 -87.2 9.5 -28.9 52.1 -21.1 1087 271 D H T <4 0 0 74 -3,-1.4 -2,-0.2 -49,-0.0 -3,-0.1 0.525 360.0 360.0-130.0 -75.2 -27.5 54.9 -23.2 1088 272 D D < 0 0 155 -4,-0.9 -3,-0.1 0, 0.0 -4,-0.0 0.889 360.0 360.0 42.7 360.0 -24.2 56.5 -22.2