==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-NOV-11 3UOY . COMPND 2 MOLECULE: OTEMO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.SHI,A.MATTE,M.CYGLER,P.LAU . 1074 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 84 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 13 0 1 1 2 2 0 1 3 4 0 2 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 6 6 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 . 14 0 6 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 1 1 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 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 6 A K 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 48.1 -15.0 16.8 2 7 A S - 0 0 95 128,-0.0 115,-0.1 1,-0.0 128,-0.1 -0.888 360.0-103.0-119.6 146.6 46.0 -15.8 13.7 3 8 A P - 0 0 20 0, 0.0 128,-0.1 0, 0.0 129,-0.1 -0.321 13.1-138.1 -72.1 146.6 42.2 -15.5 13.2 4 9 A A S S+ 0 0 65 126,-0.1 2,-0.3 127,-0.1 127,-0.2 0.780 87.5 41.9 -64.3 -30.5 39.9 -18.5 13.2 5 10 A L E -a 131 0A 32 125,-1.7 127,-2.1 1,-0.1 25,-0.2 -0.872 64.1-143.7-124.6 150.6 38.0 -17.1 10.3 6 11 A D E S- 0 0 40 23,-2.0 127,-2.6 -2,-0.3 2,-0.3 0.906 90.9 -2.0 -68.1 -43.2 38.6 -15.3 7.0 7 12 A A E -ab 133 30A 0 22,-1.8 24,-1.9 125,-0.2 2,-0.4 -0.996 51.5-150.9-150.5 147.6 35.5 -13.3 7.5 8 13 A V E -ab 134 31A 0 125,-2.1 127,-3.1 -2,-0.3 2,-0.5 -0.993 17.6-161.6-113.4 130.8 32.5 -12.6 9.8 9 14 A V E -ab 135 32A 0 22,-2.1 24,-2.1 -2,-0.4 2,-0.6 -0.969 7.6-151.0-110.4 121.3 29.4 -11.3 8.0 10 15 A I E +ab 136 33A 11 125,-2.7 127,-2.3 -2,-0.5 24,-0.2 -0.853 60.6 33.0 -96.5 117.7 26.9 -9.6 10.4 11 16 A G - 0 0 7 22,-3.4 23,-0.1 -2,-0.6 22,-0.1 0.074 56.8-138.8 115.2 138.6 23.3 -9.9 9.2 12 17 A A + 0 0 0 4,-0.2 28,-2.7 26,-0.2 29,-0.2 -0.102 62.1 116.3-119.3 33.7 21.1 -12.4 7.3 13 18 A G S > S- 0 0 14 124,-0.5 4,-2.1 27,-0.2 5,-0.3 -0.138 92.2 -75.7 -78.4-169.9 19.1 -10.0 5.0 14 19 A V H > S+ 0 0 16 26,-0.4 4,-1.2 1,-0.2 5,-0.1 0.864 133.2 49.3 -60.0 -33.3 19.5 -10.2 1.2 15 20 A T H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.957 112.1 43.8 -73.0 -52.8 22.9 -8.4 1.5 16 21 A G H > S+ 0 0 0 121,-0.4 4,-2.4 1,-0.2 5,-0.2 0.912 111.7 50.8 -62.4 -43.6 24.5 -10.5 4.2 17 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.898 111.9 48.7 -66.4 -34.3 23.5 -13.9 3.0 18 23 A Y H X S+ 0 0 6 -4,-1.2 4,-2.7 -5,-0.3 -1,-0.2 0.949 110.6 50.4 -68.0 -45.8 24.8 -13.2 -0.5 19 24 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.892 113.0 46.5 -57.1 -40.7 28.1 -11.9 0.9 20 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.951 110.9 51.5 -68.8 -50.6 28.6 -15.0 3.0 21 26 A F H X S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.910 110.5 50.6 -44.1 -50.5 27.7 -17.3 0.1 22 27 A L H X S+ 0 0 12 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.883 109.4 49.1 -62.4 -40.9 30.3 -15.5 -2.0 23 28 A I H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 3,-0.3 0.930 113.8 45.4 -66.8 -45.3 33.1 -15.8 0.5 24 29 A N H ><5S+ 0 0 64 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.896 109.0 56.9 -62.0 -41.3 32.5 -19.6 1.1 25 30 A Q H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 100.7 57.8 -61.7 -31.5 32.2 -20.1 -2.7 26 31 A A T 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.285 126.4-103.5 -82.5 11.0 35.7 -18.6 -3.1 27 32 A G T < 5S+ 0 0 57 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.757 79.6 130.5 74.1 26.9 36.9 -21.3 -0.7 28 33 A M < - 0 0 5 -5,-1.9 2,-0.7 -23,-0.0 -1,-0.3 -0.703 62.5-107.4-107.6 164.2 37.2 -19.1 2.4 29 34 A K + 0 0 136 -2,-0.2 -23,-2.0 2,-0.0 -22,-1.8 -0.820 43.1 174.4 -97.6 113.7 36.0 -19.6 5.9 30 35 A V E -b 7 0A 10 -2,-0.7 2,-0.4 -24,-0.2 -22,-0.2 -0.903 20.0-165.2-119.2 142.7 33.0 -17.4 6.8 31 36 A L E -b 8 0A 21 -24,-1.9 -22,-2.1 -2,-0.4 2,-0.3 -0.990 11.4-160.2-121.8 122.8 30.8 -17.1 9.8 32 37 A G E -bc 9 101A 0 68,-2.7 70,-2.1 -2,-0.4 2,-0.4 -0.734 5.1-157.4 -93.5 150.4 27.5 -15.1 9.5 33 38 A I E -bc 10 102A 1 -24,-2.1 -22,-3.4 -2,-0.3 2,-0.4 -0.998 10.9-179.1-129.6 134.0 25.7 -13.8 12.6 34 39 A E - 0 0 15 68,-2.7 71,-2.4 -2,-0.4 70,-0.2 -0.991 26.6-151.8-138.9 132.3 22.0 -12.9 12.8 35 40 A A S S+ 0 0 51 -2,-0.4 71,-0.1 69,-0.2 -1,-0.1 0.842 80.7 68.9 -62.9 -37.5 19.9 -11.6 15.6 36 41 A G S S- 0 0 3 2,-0.2 68,-2.5 68,-0.1 69,-0.3 -0.105 94.5-104.2 -82.0 178.7 16.7 -13.2 14.3 37 42 A E S S- 0 0 137 66,-0.2 2,-0.2 67,-0.1 66,-0.1 0.752 92.6 -10.1 -74.0 -24.6 15.6 -16.8 14.0 38 43 A D S S- 0 0 56 1,-0.1 3,-0.4 3,-0.1 -2,-0.2 -0.859 88.4 -52.8-162.2-176.6 16.2 -17.1 10.2 39 44 A V S S+ 0 0 0 -2,-0.2 -26,-0.2 1,-0.2 50,-0.1 -0.166 82.7 76.7 -73.6 163.1 17.1 -15.3 6.9 40 45 A G > - 0 0 1 -28,-2.7 3,-2.2 48,-0.1 -26,-0.4 -0.016 51.3-166.6 133.6 -34.7 15.2 -12.3 5.4 41 46 A G T >> S+ 0 0 11 -3,-0.4 4,-2.6 1,-0.3 3,-1.3 -0.318 87.2 17.1 52.6-118.3 16.2 -9.1 7.3 42 47 A T H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.881 134.6 47.9 -36.9 -50.8 13.7 -6.5 6.1 43 48 A W H <4 S+ 0 0 19 -3,-2.2 -1,-0.2 1,-0.2 42,-0.2 0.597 112.8 48.1 -80.7 -14.0 11.4 -9.4 4.9 44 49 A Y H <4 S+ 0 0 33 -3,-1.3 -1,-0.2 -6,-0.1 -2,-0.2 0.812 119.5 36.0 -84.1 -40.1 11.8 -11.4 8.1 45 50 A W H < S+ 0 0 111 -4,-2.6 2,-1.0 1,-0.1 120,-0.5 0.777 101.1 72.8 -88.5 -32.1 11.1 -8.4 10.5 46 51 A N < + 0 0 17 -4,-2.2 117,-0.1 -5,-0.3 -1,-0.1 -0.720 45.3 148.4 -97.2 95.3 8.4 -6.3 8.8 47 52 A R + 0 0 38 -2,-1.0 -1,-0.1 115,-0.4 3,-0.1 0.250 24.8 134.3-113.0 14.3 5.1 -8.1 8.9 48 53 A Y > - 0 0 18 114,-0.6 3,-1.7 1,-0.1 33,-0.2 -0.142 68.3 -79.6 -64.5 157.2 2.6 -5.2 9.0 49 54 A P T 3 S+ 0 0 17 0, 0.0 149,-0.2 0, 0.0 -1,-0.1 -0.385 114.6 13.4 -63.5 128.6 -0.5 -5.0 6.8 50 55 A G T 3 S+ 0 0 18 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.434 78.1 159.4 87.5 1.8 0.2 -3.9 3.3 51 56 A C < + 0 0 9 -3,-1.7 30,-1.9 29,-0.0 2,-0.3 -0.428 19.6 150.8 -58.2 122.6 4.0 -4.3 3.4 52 57 A R B -I 80 0B 58 28,-0.3 28,-0.2 -2,-0.2 27,-0.1 -0.975 46.2 -88.3-157.7 151.4 5.0 -4.5 -0.2 53 58 A L - 0 0 5 26,-2.3 4,-0.1 -2,-0.3 3,-0.0 -0.277 13.5-160.4 -60.2 150.6 8.0 -3.7 -2.6 54 59 A D S S+ 0 0 37 2,-0.1 2,-0.4 3,-0.0 226,-0.3 0.473 80.0 76.0-100.2 -10.7 8.4 -0.4 -4.3 55 60 A T S S- 0 0 1 24,-0.1 24,-0.2 224,-0.1 5,-0.1 -0.829 101.8 -98.4-100.2 134.0 10.8 -2.1 -6.7 56 61 A E >> - 0 0 11 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.279 36.4-123.7 -49.9 132.8 9.3 -4.3 -9.5 57 62 A S H 3> S+ 0 0 0 20,-2.5 4,-2.2 1,-0.2 -1,-0.1 0.862 108.4 53.1 -51.1 -46.1 9.6 -7.8 -8.2 58 63 A Y H 34 S+ 0 0 15 19,-0.2 -1,-0.2 1,-0.2 7,-0.2 0.802 112.4 46.0 -64.4 -29.6 11.7 -9.1 -11.2 59 64 A A H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.761 112.3 48.6 -81.8 -31.8 14.2 -6.3 -10.8 60 65 A Y H < S+ 0 0 20 -4,-2.0 2,-2.8 1,-0.2 3,-0.2 0.859 92.5 83.8 -72.9 -34.9 14.6 -6.6 -7.0 61 66 A G >X + 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 3,-1.1 -0.308 48.8 158.3 -71.3 63.1 15.1 -10.4 -7.3 62 67 A Y H 3> S+ 0 0 1 -2,-2.8 4,-2.7 1,-0.3 6,-0.2 0.799 70.3 62.2 -55.2 -32.7 18.8 -10.3 -8.1 63 68 A F H 34>S+ 0 0 6 -3,-0.2 5,-2.2 2,-0.2 6,-1.9 0.852 108.9 41.6 -68.5 -30.8 19.1 -13.9 -7.0 64 69 A A H X45S+ 0 0 1 -3,-1.1 3,-1.6 4,-0.2 -2,-0.2 0.948 114.7 50.7 -75.5 -51.7 16.8 -14.9 -9.8 65 70 A L H 3<5S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.851 109.4 52.0 -48.8 -42.7 18.4 -12.5 -12.3 66 71 A K T 3<5S- 0 0 81 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.536 118.5-109.6 -79.3 -8.3 21.9 -13.9 -11.5 67 72 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.686 87.4 116.1 88.1 19.0 20.8 -17.5 -12.1 68 73 A I S S+ 0 0 0 -6,-1.9 3,-2.1 1,-0.1 -1,-0.2 -0.425 80.8 155.5-127.3 60.5 17.2 -19.3 -8.4 70 75 A P T 3 + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.763 68.5 65.4 -62.2 -23.4 16.2 -18.5 -12.0 71 76 A E T 3 S+ 0 0 83 -3,-0.1 -7,-0.1 -4,-0.1 162,-0.0 0.549 74.4 130.0 -74.3 -7.8 13.2 -20.8 -11.8 72 77 A W < - 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0 0 55 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.215 34.5-107.9 -73.1 166.8 5.6 23.0 -23.7 264 269 A E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.866 122.5 54.1 -63.2 -36.7 3.3 23.1 -20.6 265 270 A S H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 110.1 45.7 -59.5 -50.4 0.8 21.1 -22.7 266 271 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.859 111.2 52.2 -62.0 -42.3 3.4 18.4 -23.5 267 272 A R H X S+ 0 0 29 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.902 108.4 53.0 -59.5 -43.4 4.6 18.2 -19.9 268 273 A D H X S+ 0 0 57 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 111.1 43.3 -59.8 -47.1 1.1 17.7 -18.7 269 274 A A H X S+ 0 0 67 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.873 114.1 53.5 -64.1 -39.9 0.4 14.8 -21.1 270 275 A F H X S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 113.2 41.5 -60.9 -49.5 3.8 13.4 -20.2 271 276 A F H X S+ 0 0 7 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.903 111.5 56.0 -65.3 -44.1 3.1 13.5 -16.4 272 277 A E H X S+ 0 0 50 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.929 110.4 46.1 -54.4 -46.8 -0.5 12.2 -16.9 273 278 A E H < S+ 0 0 135 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.906 115.3 44.5 -63.4 -47.6 0.8 9.1 -18.7 274 279 A L H >< S+ 0 0 14 -4,-1.9 3,-1.3 1,-0.2 8,-0.5 0.909 107.7 58.9 -64.8 -42.5 3.6 8.4 -16.2 275 280 A Y H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.8 45.0 -55.2 -39.3 1.4 8.9 -13.2 276 281 A R T 3< S+ 0 0 175 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.533 93.9 96.1 -84.0 -8.7 -1.0 6.1 -14.4 277 282 A Q S < S- 0 0 72 -3,-1.3 5,-0.3 -4,-0.5 4,-0.2 -0.697 86.6-104.6 -86.8 132.6 1.8 3.7 -15.3 278 283 A P S S+ 0 0 60 0, 0.0 3,-0.4 0, 0.0 -58,-0.2 -0.189 80.8 9.9 -58.8 145.8 2.6 1.1 -12.5 279 284 A G S S- 0 0 2 -60,-2.3 3,-0.5 -61,-0.2 -224,-0.1 -0.331 111.3 -33.8 86.2-163.2 5.8 1.7 -10.5 280 285 A Y S >> S+ 0 0 0 -226,-0.3 4,-2.9 1,-0.2 3,-1.7 0.250 86.3 116.5 -87.2 10.5 8.3 4.6 -10.2 281 286 A G H 3> S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.3 -1,-0.2 0.852 71.7 59.4 -49.6 -43.9 8.2 6.0 -13.7 282 287 A I H 34 S+ 0 0 3 -3,-0.5 -1,-0.3 -8,-0.5 -7,-0.1 0.790 120.2 29.3 -58.4 -29.4 6.8 9.4 -12.7 283 288 A W H X4 S+ 0 0 8 -3,-1.7 3,-0.7 -9,-0.1 -2,-0.2 0.889 131.3 32.1 -90.0 -56.9 9.9 9.9 -10.4 284 289 A L H 3< S+ 0 0 10 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.648 119.9 48.1 -86.8 -17.8 12.7 7.9 -12.2 285 290 A S T 3< S+ 0 0 23 -4,-2.9 -1,-0.2 -5,-0.5 -30,-0.2 0.236 92.3 120.1 -99.6 11.9 11.7 8.4 -15.8 286 291 A G S < S- 0 0 0 -3,-0.7 -31,-3.2 -5,-0.2 -3,-0.1 0.086 77.4 -59.6 -68.2-179.6 11.2 12.1 -15.3 287 292 A F B > -s 255 0H 4 -33,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.323 53.4-113.9 -61.8 147.7 13.0 15.0 -16.9 288 293 A R T 3 S+ 0 0 126 -31,-1.9 3,-0.3 -33,-0.7 -30,-0.2 0.735 114.7 49.1 -61.2 -23.4 16.7 14.9 -16.4 289 294 A D T >> S+ 0 0 12 -32,-0.4 4,-2.0 1,-0.2 3,-1.4 0.234 73.9 114.0-100.2 12.8 16.7 18.1 -14.3 290 295 A L T <4 S+ 0 0 4 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.818 89.2 30.2 -52.4 -38.5 13.9 17.0 -12.0 291 296 A L T 34 S+ 0 0 17 -3,-0.3 196,-2.7 -4,-0.2 197,-0.3 0.281 121.9 51.2-107.3 9.4 16.2 16.9 -8.9 292 297 A L T <4 S+ 0 0 106 -3,-1.4 2,-0.4 194,-0.2 -2,-0.2 0.584 103.5 54.6-115.5 -19.7 18.7 19.6 -10.0 293 298 A N X - 0 0 60 -4,-2.0 4,-2.3 1,-0.1 -1,-0.2 -0.977 62.0-149.1-132.5 124.9 16.4 22.5 -10.9 294 299 A K H > S+ 0 0 138 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.867 100.9 49.6 -58.1 -42.3 13.7 24.2 -8.7 295 300 A E H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 110.6 49.8 -66.7 -42.2 11.5 25.2 -11.7 296 301 A S H > S+ 0 0 2 1,-0.2 4,-1.3 -7,-0.2 -2,-0.2 0.911 110.9 49.6 -61.6 -45.0 11.6 21.6 -13.2 297 302 A N H X S+ 0 0 9 -4,-2.3 4,-3.1 -8,-0.3 -1,-0.2 0.875 105.4 58.2 -61.1 -38.8 10.6 20.1 -9.8 298 303 A K H X S+ 0 0 116 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.869 98.7 59.3 -62.4 -38.8 7.8 22.6 -9.5 299 304 A F H X S+ 0 0 36 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.954 114.6 35.7 -51.3 -53.4 6.2 21.3 -12.7 300 305 A L H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.925 116.4 51.8 -72.3 -46.3 6.0 17.8 -11.3 301 306 A A H X S+ 0 0 8 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.920 111.0 50.0 -53.1 -48.3 5.1 18.8 -7.7 302 307 A D H X S+ 0 0 78 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.884 111.6 49.4 -57.1 -42.7 2.3 21.0 -9.0 303 308 A F H X S+ 0 0 7 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.918 111.3 46.6 -64.2 -46.9 1.1 18.1 -11.1 304 309 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.859 111.4 52.7 -66.7 -32.9 1.1 15.6 -8.3 305 310 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.928 105.9 54.2 -66.3 -44.1 -0.7 18.2 -6.0 306 311 A K H X S+ 0 0 71 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.896 108.6 50.5 -51.1 -43.0 -3.3 18.6 -8.7 307 312 A K H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.860 106.9 51.9 -66.7 -39.0 -3.8 14.8 -8.5 308 313 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.946 109.0 50.7 -63.8 -45.3 -4.2 14.8 -4.8 309 314 A R H < S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.819 110.7 52.0 -59.6 -31.7 -6.9 17.5 -5.1 310 315 A Q H < S+ 0 0 107 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.8 39.4 -66.0 -43.7 -8.6 15.2 -7.7 311 316 A R H < S+ 0 0 33 -4,-2.0 2,-0.6 -3,-0.1 -2,-0.2 0.748 105.2 68.1 -86.4 -26.9 -8.6 12.1 -5.5 312 317 A V < - 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0 0 51 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.232 31.1-105.2 -71.7 167.6 51.3 23.7 -14.6 803 269 B E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.858 120.4 47.3 -65.8 -38.8 53.9 23.3 -17.3 804 270 B S H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 114.0 49.6 -70.5 -37.1 56.5 21.5 -15.1 805 271 B E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 110.2 49.8 -63.1 -48.6 53.7 19.2 -13.8 806 272 B R H X S+ 0 0 28 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.926 110.8 50.8 -54.4 -51.6 52.5 18.4 -17.4 807 273 B D H X S+ 0 0 61 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.874 111.1 45.9 -51.9 -47.7 56.1 17.6 -18.4 808 274 B A H X S+ 0 0 65 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.878 114.5 50.6 -65.0 -41.7 56.7 15.2 -15.5 809 275 B F H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 113.2 43.4 -59.6 -53.5 53.4 13.6 -16.2 810 276 B F H X S+ 0 0 7 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.900 110.6 55.6 -62.1 -44.2 54.1 13.1 -19.9 811 277 B E H X S+ 0 0 49 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.934 110.9 45.1 -53.8 -47.7 57.6 11.9 -19.3 812 278 B E H X S+ 0 0 137 -4,-1.9 4,-0.8 2,-0.2 3,-0.2 0.925 114.8 47.0 -62.9 -48.6 56.3 9.1 -16.9 813 279 B L H >< S+ 0 0 14 -4,-2.2 3,-1.0 1,-0.2 8,-0.4 0.914 107.8 56.5 -59.2 -46.3 53.5 8.1 -19.3 814 280 B Y H 3< S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.2 45.2 -55.9 -36.6 55.8 8.0 -22.3 815 281 B R H 3< S+ 0 0 176 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.570 93.1 95.3 -87.7 -10.1 58.1 5.5 -20.5 816 282 B Q S << S- 0 0 74 -3,-1.0 5,-0.3 -4,-0.8 4,-0.1 -0.670 86.8-105.4 -81.6 133.7 55.2 3.3 -19.3 817 283 B P S S+ 0 0 62 0, 0.0 3,-0.4 0, 0.0 -58,-0.2 -0.261 79.4 11.1 -59.8 143.5 54.4 0.3 -21.5 818 284 B G S > S- 0 0 1 -60,-2.3 3,-0.6 -61,-0.2 -224,-0.1 -0.349 110.5 -34.3 88.2-163.5 51.2 0.5 -23.6 819 285 B Y T >> S+ 0 0 1 -226,-0.3 4,-3.0 1,-0.2 3,-1.7 0.257 87.7 113.5 -88.6 8.9 48.8 3.2 -24.6 820 286 B G H 3> S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.846 71.1 63.7 -46.8 -41.6 48.7 5.2 -21.4 821 287 B I H <4 S+ 0 0 3 -3,-0.6 -1,-0.3 -8,-0.4 -7,-0.1 0.786 119.6 24.7 -56.3 -30.2 50.3 8.2 -23.1 822 288 B W H X4 S+ 0 0 5 -3,-1.7 3,-0.5 -9,-0.1 -2,-0.2 0.847 131.8 36.1 -99.9 -48.4 47.2 8.5 -25.3 823 289 B L H 3< S+ 0 0 11 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.625 119.0 45.5 -91.7 -15.9 44.4 6.9 -23.3 824 290 B S T 3< S+ 0 0 25 -4,-2.7 -1,-0.2 -5,-0.4 -30,-0.2 0.111 91.9 116.2-105.1 18.7 45.3 8.0 -19.7 825 291 B G S < S- 0 0 0 -3,-0.5 -31,-2.7 1,-0.2 -3,-0.1 0.020 79.5 -51.8 -76.1-170.7 46.0 11.5 -20.8 826 292 B F B > -q 794 0U 3 -33,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.273 55.4-114.2 -62.0 148.6 44.1 14.7 -19.8 827 293 B R T 3 S+ 0 0 123 -31,-2.0 3,-0.3 -33,-0.5 -30,-0.2 0.721 114.8 47.5 -62.3 -21.8 40.4 14.5 -20.2 828 294 B D T >> S+ 0 0 8 -32,-0.3 4,-2.4 1,-0.2 3,-1.5 0.180 73.7 114.3-103.9 15.8 40.4 17.2 -22.9 829 295 B L T <4 S+ 0 0 4 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.886 90.0 31.8 -53.3 -41.9 43.2 15.8 -25.0 830 296 B L T 34 S+ 0 0 27 -3,-0.3 197,-2.6 -4,-0.3 198,-0.4 0.264 122.8 49.6-101.5 11.0 40.9 15.1 -27.9 831 297 B L T <4 S+ 0 0 108 -3,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.642 104.3 53.1-117.1 -25.1 38.5 18.0 -27.2 832 298 B N X - 0 0 51 -4,-2.4 4,-2.7 1,-0.1 -1,-0.2 -0.962 60.5-152.9-130.3 116.9 40.8 21.0 -26.8 833 299 B K H > S+ 0 0 157 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.838 99.2 51.9 -55.3 -39.4 43.5 22.1 -29.3 834 300 B E H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.915 111.7 46.3 -67.1 -44.5 45.7 23.8 -26.6 835 301 B S H > S+ 0 0 1 2,-0.2 4,-1.2 -7,-0.2 3,-0.3 0.907 112.5 50.6 -61.7 -46.1 45.6 20.6 -24.5 836 302 B N H X S+ 0 0 6 -4,-2.7 4,-2.9 -8,-0.3 3,-0.3 0.924 105.0 57.7 -58.5 -43.3 46.5 18.5 -27.5 837 303 B K H X S+ 0 0 121 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.819 98.7 60.4 -59.0 -35.6 49.4 20.8 -28.4 838 304 B F H X S+ 0 0 38 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.951 113.4 35.9 -54.5 -51.2 50.9 20.1 -24.9 839 305 B L H X S+ 0 0 1 -4,-1.2 4,-2.7 -3,-0.3 5,-0.2 0.913 115.3 54.5 -71.9 -43.0 51.2 16.4 -25.7 840 306 B A H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.932 110.0 47.0 -57.7 -48.2 52.0 16.8 -29.4 841 307 B D H X S+ 0 0 80 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.825 111.1 53.5 -60.1 -35.3 55.0 19.1 -28.6 842 308 B F H X S+ 0 0 11 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.928 110.2 44.8 -67.1 -45.6 56.1 16.6 -25.9 843 309 B V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.886 110.8 54.6 -65.3 -40.2 56.1 13.7 -28.3 844 310 B A H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.931 105.6 53.9 -57.1 -45.6 57.9 15.8 -30.9 845 311 B K H X S+ 0 0 71 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.897 108.1 49.8 -54.8 -44.1 60.5 16.5 -28.3 846 312 B K H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.900 108.2 52.1 -63.4 -41.8 61.0 12.8 -27.8 847 313 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 109.0 51.0 -59.6 -44.4 61.4 12.2 -31.6 848 314 B R H < S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.8 48.9 -62.8 -34.6 64.1 14.9 -31.7 849 315 B Q H < S+ 0 0 112 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.909 115.5 43.6 -65.8 -44.3 65.9 13.2 -28.8 850 316 B R H < S+ 0 0 34 -4,-2.4 2,-0.5 -5,-0.1 -2,-0.2 0.775 104.7 66.4 -77.4 -28.8 65.7 9.7 -30.4 851 317 B V < - 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