==== 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 3UP5 . COMPND 2 MOLECULE: OTEMO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.SHI,A.MATTE,M.CYGLER,P.LAU . 1069 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 742 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 81 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 26.1 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 12 0 2 0 2 2 0 1 3 4 1 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 13 1 5 1 3 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 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.7 48.3 -14.9 16.7 2 7 A S - 0 0 98 1,-0.0 128,-0.1 116,-0.0 115,-0.1 -0.932 360.0-109.0-125.7 132.0 46.1 -15.9 13.7 3 8 A P - 0 0 19 0, 0.0 128,-0.2 0, 0.0 129,-0.1 -0.086 12.1-137.4 -60.9 149.0 42.3 -15.5 13.3 4 9 A A S S+ 0 0 61 126,-0.3 2,-0.3 127,-0.0 127,-0.2 0.798 87.1 36.4 -72.3 -38.4 39.9 -18.4 13.3 5 10 A L E -a 131 0A 30 125,-2.4 127,-2.3 1,-0.1 25,-0.2 -0.856 64.0-143.0-117.7 154.7 37.9 -17.1 10.3 6 11 A D E S+ 0 0 31 23,-2.0 127,-2.1 1,-0.3 2,-0.3 0.844 90.8 4.4 -72.9 -37.8 38.6 -15.2 7.2 7 12 A A E -ab 133 30A 0 22,-2.0 24,-1.6 125,-0.2 2,-0.4 -0.999 52.3-160.1-154.5 140.9 35.4 -13.3 7.6 8 13 A V E -ab 134 31A 0 125,-1.7 127,-2.6 -2,-0.3 2,-0.5 -0.968 17.7-160.5-111.8 136.0 32.5 -12.7 9.9 9 14 A V E -ab 135 32A 0 22,-2.5 24,-2.2 -2,-0.4 2,-0.7 -0.986 6.8-149.7-115.3 125.9 29.4 -11.2 8.3 10 15 A I E +ab 136 33A 16 125,-2.4 127,-1.9 -2,-0.5 24,-0.2 -0.854 63.3 41.1 -98.2 116.4 26.8 -9.6 10.6 11 16 A G - 0 0 7 22,-2.9 23,-0.1 -2,-0.7 22,-0.1 -0.088 54.2-146.3 123.9 138.7 23.3 -9.9 9.1 12 17 A A + 0 0 0 26,-0.1 28,-2.4 4,-0.1 29,-0.1 0.056 61.6 112.1-125.4 30.9 21.2 -12.4 7.3 13 18 A G S > S- 0 0 13 124,-0.4 4,-2.5 27,-0.2 5,-0.4 -0.129 92.9 -71.4 -79.9-170.9 19.2 -10.2 5.1 14 19 A V H > S+ 0 0 16 26,-0.5 4,-1.5 1,-0.2 5,-0.2 0.897 132.5 45.9 -54.6 -47.1 19.6 -10.2 1.3 15 20 A T H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 114.0 45.3 -58.0 -53.4 23.0 -8.5 1.4 16 21 A G H > S+ 0 0 0 121,-0.3 4,-1.6 2,-0.2 5,-0.2 0.874 110.8 50.4 -70.4 -39.0 24.6 -10.5 4.1 17 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.916 111.6 49.9 -67.4 -35.5 23.6 -14.0 3.0 18 23 A Y H X S+ 0 0 7 -4,-1.5 4,-2.8 -5,-0.4 5,-0.2 0.982 111.1 48.8 -63.6 -53.1 24.9 -13.2 -0.5 19 24 A Q H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.809 113.0 47.6 -48.8 -34.9 28.2 -11.9 0.9 20 25 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 3,-0.3 0.949 110.6 51.7 -80.5 -47.5 28.6 -15.1 3.0 21 26 A F H X S+ 0 0 36 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.918 108.4 52.2 -43.0 -53.6 27.7 -17.3 0.1 22 27 A L H X S+ 0 0 12 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.855 109.9 48.4 -57.5 -36.7 30.4 -15.6 -2.0 23 28 A I H <>S+ 0 0 0 -4,-1.3 5,-2.2 -3,-0.3 -1,-0.2 0.902 111.9 45.8 -80.4 -39.6 33.1 -16.1 0.6 24 29 A N H ><5S+ 0 0 69 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.923 110.8 56.6 -67.5 -35.3 32.5 -19.7 1.2 25 30 A Q H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.910 102.2 54.0 -56.9 -45.3 32.3 -20.1 -2.7 26 31 A A T 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.372 125.4-107.7 -72.7 6.7 35.8 -18.7 -3.0 27 32 A G T < 5S+ 0 0 57 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.749 77.7 125.8 75.7 30.6 36.9 -21.4 -0.5 28 33 A M < - 0 0 5 -5,-2.2 2,-0.5 -23,-0.0 -1,-0.3 -0.707 64.5-101.1-111.7 165.2 37.5 -19.2 2.5 29 34 A K + 0 0 131 -2,-0.2 -23,-2.0 -25,-0.0 -22,-2.0 -0.790 44.0 173.3 -95.6 130.7 36.0 -19.6 6.0 30 35 A V E -b 7 0A 8 -2,-0.5 2,-0.4 -24,-0.2 -22,-0.2 -0.944 18.9-159.4-135.2 147.2 33.1 -17.3 7.0 31 36 A L E -b 8 0A 24 -24,-1.6 -22,-2.5 -2,-0.3 2,-0.4 -0.989 8.5-157.9-133.1 122.5 30.7 -17.0 9.9 32 37 A G E -bc 9 101A 0 68,-2.5 70,-1.6 -2,-0.4 2,-0.4 -0.762 4.6-161.6 -93.5 144.8 27.5 -15.2 9.7 33 38 A I E +bc 10 102A 1 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.3 -0.997 11.3 177.6-125.0 130.5 25.8 -13.9 12.7 34 39 A E - 0 0 15 68,-2.6 71,-2.7 -2,-0.4 5,-0.0 -0.999 27.0-151.2-135.0 140.9 22.0 -13.0 12.8 35 40 A A S S+ 0 0 26 -2,-0.3 71,-0.1 69,-0.3 -1,-0.1 0.835 79.2 69.1 -66.8 -42.3 19.7 -11.7 15.6 36 41 A G S S- 0 0 2 2,-0.2 68,-2.7 68,-0.1 69,-0.3 -0.137 96.8-103.9 -76.2 175.0 16.5 -13.3 14.2 37 42 A E S S- 0 0 138 66,-0.2 2,-0.3 67,-0.1 66,-0.1 0.712 94.3 -4.1 -66.7 -21.4 15.6 -16.9 14.1 38 43 A D S S- 0 0 57 3,-0.1 3,-0.4 65,-0.1 -2,-0.2 -0.909 88.5 -54.8-162.2 178.8 16.3 -17.1 10.3 39 44 A V S S+ 0 0 0 -2,-0.3 -26,-0.2 1,-0.2 50,-0.1 -0.232 82.8 81.2 -69.0 157.2 17.2 -15.4 7.0 40 45 A G > - 0 0 0 -28,-2.4 3,-2.1 48,-0.1 -26,-0.5 -0.102 49.9-170.6 146.1 -39.8 15.3 -12.5 5.6 41 46 A G T >> S+ 0 0 12 -3,-0.4 4,-2.2 1,-0.3 3,-1.4 -0.359 87.1 13.6 42.7-113.5 16.4 -9.2 7.3 42 47 A T H 3> S+ 0 0 61 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.874 136.6 47.3 -47.5 -40.8 13.8 -6.7 6.2 43 48 A W H <4 S+ 0 0 19 -3,-2.1 -1,-0.3 1,-0.2 42,-0.2 0.621 112.7 50.0 -85.1 -12.4 11.6 -9.5 4.9 44 49 A Y H <4 S+ 0 0 39 -3,-1.4 -2,-0.2 -6,-0.1 -1,-0.2 0.810 118.9 34.3 -81.6 -41.7 12.0 -11.4 8.2 45 50 A W H < S+ 0 0 108 -4,-2.2 2,-0.8 1,-0.1 120,-0.4 0.812 100.2 73.1 -93.7 -40.0 11.2 -8.5 10.6 46 51 A N < + 0 0 14 -4,-2.1 117,-0.1 -5,-0.3 -1,-0.1 -0.733 46.1 150.0 -84.4 114.4 8.6 -6.4 8.9 47 52 A R + 0 0 35 -2,-0.8 -1,-0.1 115,-0.6 3,-0.1 0.161 24.3 136.7-127.9 16.3 5.3 -8.3 9.0 48 53 A Y > - 0 0 15 114,-0.4 3,-2.0 1,-0.1 33,-0.2 -0.322 68.0 -82.9 -67.1 146.5 2.9 -5.4 9.2 49 54 A P T 3 S+ 0 0 15 0, 0.0 149,-0.2 0, 0.0 -1,-0.1 -0.298 113.2 12.2 -55.6 124.3 -0.3 -5.4 7.0 50 55 A G T 3 S+ 0 0 18 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.354 76.7 161.5 92.2 -0.1 0.4 -4.2 3.5 51 56 A C < + 0 0 7 -3,-2.0 30,-2.3 29,-0.1 2,-0.3 -0.324 20.0 161.0 -53.8 116.0 4.2 -4.3 3.6 52 57 A R B -I 80 0B 59 -2,-0.3 28,-0.2 28,-0.2 27,-0.1 -0.930 40.5 -96.8-139.5 157.0 5.1 -4.4 -0.1 53 58 A L - 0 0 4 26,-2.3 4,-0.1 -2,-0.3 3,-0.1 -0.298 12.6-159.0 -62.7 154.8 8.1 -3.7 -2.4 54 59 A D S S+ 0 0 35 2,-0.1 2,-0.4 280,-0.0 226,-0.2 0.336 78.5 73.5-106.1 -0.8 8.5 -0.4 -4.2 55 60 A T S S- 0 0 0 24,-0.1 24,-0.2 224,-0.1 5,-0.1 -0.923 101.9 -93.9-114.1 136.5 10.8 -2.1 -6.8 56 61 A E >> - 0 0 12 -2,-0.4 4,-1.9 1,-0.1 3,-0.6 -0.203 34.2-127.4 -48.0 132.9 9.4 -4.4 -9.4 57 62 A S H 3> S+ 0 0 0 20,-2.1 4,-1.9 1,-0.3 -1,-0.1 0.886 109.6 54.0 -57.2 -42.3 9.7 -7.9 -8.0 58 63 A Y H 34 S+ 0 0 15 19,-0.3 7,-0.3 1,-0.2 -1,-0.3 0.862 112.9 43.1 -60.7 -35.4 11.6 -9.0 -11.2 59 64 A A H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.732 113.1 49.3 -79.1 -27.3 14.1 -6.2 -10.7 60 65 A Y H < S+ 0 0 22 -4,-1.9 2,-2.5 1,-0.2 3,-0.2 0.842 91.6 84.6 -80.9 -32.4 14.7 -6.6 -6.9 61 66 A G >X + 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 3,-1.1 -0.359 47.6 159.9 -76.1 59.9 15.2 -10.3 -7.2 62 67 A Y H 3> S+ 0 0 2 -2,-2.5 4,-2.3 1,-0.2 6,-0.3 0.709 70.5 64.2 -41.8 -32.5 18.9 -10.3 -8.1 63 68 A F H 34>S+ 0 0 9 2,-0.2 5,-1.7 -3,-0.2 6,-1.6 0.866 108.3 40.0 -72.7 -31.2 19.1 -13.9 -7.0 64 69 A A H X45S+ 0 0 0 -3,-1.1 3,-2.1 4,-0.2 -2,-0.2 0.965 116.7 50.4 -69.6 -60.2 16.8 -14.9 -9.8 65 70 A L H 3<5S+ 0 0 10 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.759 108.4 53.3 -40.5 -44.0 18.4 -12.5 -12.3 66 71 A K T 3<5S- 0 0 90 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.441 118.5-107.2 -82.0 -5.0 21.9 -13.8 -11.4 67 72 A G T < 5S+ 0 0 47 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.544 89.4 114.1 91.6 7.2 21.0 -17.4 -12.1 68 73 A I S S+ 0 0 0 -6,-1.6 3,-1.8 1,-0.1 -1,-0.2 -0.549 80.9 155.8-121.6 66.1 17.2 -19.4 -8.4 70 75 A P T 3 + 0 0 51 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.773 66.6 65.7 -69.9 -19.3 16.2 -18.4 -11.9 71 76 A E T 3 S+ 0 0 85 -3,-0.1 -7,-0.1 -4,-0.1 162,-0.0 0.372 74.7 131.0 -77.8 1.5 13.1 -20.7 -11.9 72 77 A W < - 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0 0 19 -2,-2.4 -4,-0.4 -9,-0.1 2,-0.3 -0.990 54.6-168.8-138.4 147.3 14.0 3.2 -15.1 253 258 A H - 0 0 66 -2,-0.3 -7,-0.1 -7,-0.1 31,-0.0 -0.990 35.3 -90.1-134.3 153.4 16.3 5.9 -16.4 254 259 A R - 0 0 75 -2,-0.3 33,-0.2 1,-0.1 32,-0.2 -0.154 43.9-104.1 -55.7 142.4 15.8 9.7 -16.7 255 260 A D - 0 0 28 31,-3.0 33,-0.4 30,-0.2 -1,-0.1 -0.436 28.7-124.7 -57.8 139.7 14.3 11.3 -19.7 256 261 A P S S+ 0 0 95 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.628 82.9 89.6 -65.7 -6.4 17.1 12.9 -21.8 257 262 A R S S- 0 0 90 29,-0.1 31,-2.7 2,-0.0 32,-0.4 -0.572 73.8-127.1 -98.2 150.8 15.2 16.3 -21.7 258 263 A K > - 0 0 74 29,-0.2 3,-0.9 -2,-0.2 4,-0.2 -0.542 37.4-111.8 -75.7 157.3 15.2 19.3 -19.3 259 264 A G G > S+ 0 0 0 1,-0.2 3,-1.2 -2,-0.2 -1,-0.1 0.887 116.4 54.2 -64.4 -34.6 11.7 20.2 -18.2 260 265 A T G 3 S+ 0 0 65 1,-0.3 -1,-0.2 7,-0.0 4,-0.1 0.614 84.9 82.5 -80.2 -10.2 11.7 23.5 -20.1 261 266 A D G < S+ 0 0 85 -3,-0.9 2,-0.3 2,-0.0 -1,-0.3 0.508 95.1 55.5 -67.2 -6.4 12.6 21.7 -23.4 262 267 A V S < S- 0 0 12 -3,-1.2 0, 0.0 -4,-0.2 0, 0.0 -0.955 90.2-112.0-124.4 156.8 8.9 21.0 -23.6 263 268 A S > - 0 0 59 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.183 39.6-100.8 -66.0 170.2 5.8 23.2 -23.5 264 269 A E H > S+ 0 0 145 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.869 121.9 53.2 -60.7 -39.9 3.4 23.1 -20.6 265 270 A S H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.896 108.6 48.3 -63.4 -44.6 0.9 20.9 -22.6 266 271 A E H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.888 109.7 51.7 -67.8 -38.2 3.5 18.3 -23.4 267 272 A R H X S+ 0 0 29 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.881 108.7 55.4 -62.4 -35.7 4.8 18.1 -19.7 268 273 A D H X S+ 0 0 62 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.898 108.2 42.4 -61.4 -49.8 1.2 17.6 -18.8 269 274 A A H X S+ 0 0 63 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.822 114.5 54.8 -59.6 -37.1 0.6 14.6 -21.0 270 275 A F H X S+ 0 0 45 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.976 112.9 40.1 -71.3 -52.1 4.0 13.3 -20.0 271 276 A F H X S+ 0 0 7 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.861 114.5 53.5 -55.9 -43.9 3.2 13.5 -16.3 272 277 A E H X S+ 0 0 48 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.934 110.6 47.5 -62.5 -46.4 -0.4 12.2 -16.8 273 278 A E H < S+ 0 0 133 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.863 115.5 42.9 -65.1 -41.3 0.8 9.1 -18.6 274 279 A L H >< S+ 0 0 14 -4,-2.1 3,-2.9 1,-0.2 8,-0.4 0.942 107.7 59.3 -71.8 -46.9 3.6 8.2 -16.1 275 280 A Y H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.7 48.2 -45.9 -39.8 1.4 8.9 -13.1 276 281 A R T 3< S+ 0 0 174 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.409 96.1 90.9 -87.9 7.2 -1.0 6.2 -14.5 277 282 A Q S < S- 0 0 77 -3,-2.9 5,-0.3 2,-0.1 4,-0.0 -0.788 85.9-104.2-105.2 143.1 1.8 3.7 -15.1 278 283 A P S S+ 0 0 58 0, 0.0 3,-0.4 0, 0.0 -58,-0.2 -0.349 78.1 7.2 -67.6 149.1 2.8 1.2 -12.4 279 284 A G S > S- 0 0 2 -60,-2.3 3,-0.5 -61,-0.4 -2,-0.1 -0.345 110.3 -33.0 91.6-162.2 5.9 1.8 -10.4 280 285 A Y T >> S+ 0 0 0 -226,-0.2 3,-3.2 1,-0.2 4,-1.8 0.407 88.6 112.6 -85.1 -2.8 8.4 4.6 -10.1 281 286 A G H 3> S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.843 73.1 62.5 -33.7 -52.6 8.4 5.9 -13.7 282 287 A I H <4 S+ 0 0 5 -3,-0.5 -1,-0.3 -8,-0.4 -2,-0.1 0.779 118.8 26.9 -50.2 -28.6 6.8 9.2 -12.4 283 288 A W H X4 S+ 0 0 8 -3,-3.2 3,-1.2 -9,-0.1 -2,-0.2 0.884 130.0 33.6 -95.4 -62.0 10.0 9.7 -10.4 284 289 A L H 3< S+ 0 0 10 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.553 117.3 51.2 -86.5 -11.7 12.9 8.0 -12.1 285 290 A S T 3< S+ 0 0 26 -4,-2.7 -1,-0.3 -5,-0.5 -30,-0.2 0.233 90.8 117.0 -95.2 13.3 11.8 8.4 -15.7 286 291 A G S < S- 0 0 1 -3,-1.2 -31,-3.0 -5,-0.2 -3,-0.1 0.071 78.4 -55.8 -78.9-172.0 11.3 12.1 -15.2 287 292 A F > - 0 0 3 -33,-0.2 3,-1.6 1,-0.1 -29,-0.2 -0.258 54.6-114.6 -63.1 151.5 13.1 15.1 -16.8 288 293 A R T 3 S+ 0 0 130 -31,-2.7 3,-0.2 -33,-0.4 -30,-0.2 0.675 112.7 48.6 -68.1 -16.3 16.9 15.0 -16.3 289 294 A D T >> S+ 0 0 12 -32,-0.4 4,-1.7 1,-0.2 3,-0.8 0.017 73.8 116.0-107.8 25.0 16.9 18.1 -14.1 290 295 A L T <4 S+ 0 0 4 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.865 87.5 30.3 -71.7 -37.0 14.2 17.1 -11.8 291 296 A L T 34 S+ 0 0 20 -3,-0.2 196,-2.8 -4,-0.2 -1,-0.3 0.286 121.2 54.7 -98.5 9.0 16.3 16.9 -8.8 292 297 A L T <4 S+ 0 0 108 -3,-0.8 2,-0.4 194,-0.2 -2,-0.2 0.658 102.5 48.4-109.7 -20.8 18.8 19.7 -9.9 293 298 A N X - 0 0 65 -4,-1.7 4,-1.9 1,-0.1 -1,-0.2 -0.988 64.5-144.2-135.1 125.7 16.6 22.7 -10.7 294 299 A K H > S+ 0 0 142 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.884 102.5 50.3 -58.0 -46.4 13.8 24.3 -8.6 295 300 A E H > S+ 0 0 109 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.870 109.8 51.1 -63.3 -35.5 11.6 25.3 -11.5 296 301 A S H > S+ 0 0 1 -7,-0.2 4,-1.1 1,-0.2 3,-0.4 0.905 112.1 46.2 -69.7 -40.8 11.8 21.7 -12.9 297 302 A N H X S+ 0 0 6 -4,-1.9 4,-2.4 -8,-0.3 31,-0.3 0.841 105.6 60.3 -70.7 -32.6 10.8 20.1 -9.6 298 303 A K H X S+ 0 0 112 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.810 98.7 59.3 -64.2 -30.8 8.0 22.6 -9.2 299 304 A F H X S+ 0 0 34 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.939 112.4 37.0 -61.8 -50.4 6.3 21.3 -12.4 300 305 A L H X S+ 0 0 2 -4,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.881 115.6 53.9 -74.7 -34.5 6.0 17.8 -11.2 301 306 A A H X S+ 0 0 9 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.972 109.4 48.4 -59.6 -55.6 5.2 18.9 -7.6 302 307 A D H X S+ 0 0 84 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.903 112.2 51.5 -47.0 -46.9 2.3 21.0 -8.8 303 308 A F H X S+ 0 0 7 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.924 110.4 45.6 -64.3 -44.3 1.2 18.1 -10.9 304 309 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.944 110.2 55.2 -64.7 -39.9 1.2 15.6 -8.1 305 310 A A H X S+ 0 0 6 -4,-3.1 4,-2.3 1,-0.3 5,-0.2 0.923 107.1 51.6 -56.8 -46.4 -0.6 18.2 -5.8 306 311 A K H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.3 0.942 107.8 51.0 -54.9 -46.9 -3.3 18.4 -8.5 307 312 A K H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.948 107.6 54.2 -60.2 -41.1 -3.6 14.6 -8.5 308 313 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.940 108.6 46.6 -56.3 -53.5 -4.0 14.7 -4.7 309 314 A R H < S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.823 110.8 55.4 -55.2 -38.2 -6.9 17.3 -4.8 310 315 A Q H < S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 113.7 39.5 -56.9 -44.8 -8.5 15.1 -7.5 311 316 A R H < S+ 0 0 33 -4,-2.2 2,-0.6 -5,-0.2 -2,-0.2 0.672 107.4 69.4 -86.8 -14.5 -8.4 12.1 -5.4 312 317 A V < - 0 0 2 -4,-1.6 6,-0.1 -5,-0.2 -1,-0.1 -0.908 63.2-161.4-109.2 112.1 -9.4 13.7 -2.1 313 318 A K S S+ 0 0 169 -2,-0.6 -1,-0.2 1,-0.1 31,-0.1 0.914 76.0 69.0 -52.3 -52.2 -13.0 15.0 -1.8 314 319 A D > - 0 0 84 1,-0.2 4,-2.8 29,-0.1 3,-0.3 -0.614 69.8-156.7 -81.5 109.2 -12.5 17.4 1.1 315 320 A P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.812 93.4 49.5 -52.5 -36.4 -10.4 20.4 -0.1 316 321 A V H > S+ 0 0 101 2,-0.2 4,-0.8 1,-0.2 -2,-0.0 0.851 111.9 47.2 -75.2 -38.2 -9.2 21.2 3.5 317 322 A V H >> S+ 0 0 31 -3,-0.3 4,-0.9 1,-0.2 3,-0.6 0.930 111.8 54.2 -61.0 -46.1 -8.2 17.6 4.2 318 323 A A H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 4,-0.3 0.861 101.6 54.4 -57.5 -43.3 -6.4 17.5 0.8 319 324 A E H >< S+ 0 0 71 -4,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.767 104.8 54.9 -73.7 -23.3 -4.2 20.6 1.4 320 325 A K H << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.725 104.3 55.8 -71.4 -25.0 -2.8 19.1 4.6 321 326 A L T << S+ 0 0 2 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.433 93.5 83.4 -83.3 -1.9 -1.8 15.9 2.6 322 327 A I S < S- 0 0 9 -3,-0.6 -107,-0.1 -4,-0.3 -1,-0.1 -0.905 79.5-134.3-107.4 114.7 0.3 18.1 0.2 323 328 A P + 0 0 5 0, 0.0 -109,-0.1 0, 0.0 -2,-0.1 -0.190 31.8 168.5 -61.8 153.7 3.8 19.0 1.4 324 329 A K S S+ 0 0 136 -111,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.372 70.3 80.3-128.1 -23.2 5.1 22.5 1.1 325 330 A D S S+ 0 0 110 -112,-0.1 -113,-0.0 1,-0.1 0, 0.0 0.755 102.0 14.1 -34.9 -41.2 8.1 21.7 3.3 326 331 A H S S- 0 0 21 166,-0.0 -1,-0.1 -112,-0.0 2,-0.1 -0.953 73.2 -94.1-158.3 159.1 9.9 20.1 0.3 327 332 A P > - 0 0 27 0, 0.0 3,-1.3 0, 0.0 2,-0.3 -0.333 54.8 -92.0 -78.2 158.2 10.6 19.3 -3.3 328 333 A F T 3 S+ 0 0 0 -31,-0.3 -27,-0.1 1,-0.2 -28,-0.1 -0.531 109.2 16.7 -76.5 132.5 9.3 16.1 -5.0 329 334 A G T 3 S+ 0 0 2 -2,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.504 83.9 121.6 88.3 4.3 11.6 13.2 -4.9 330 335 A A S < S+ 0 0 0 -3,-1.3 2,-0.3 2,-0.1 -2,-0.1 0.462 80.4 33.2 -84.2 0.6 13.8 14.6 -2.1 331 336 A K S S- 0 0 79 -4,-0.1 2,-0.4 -116,-0.1 -2,-0.1 -0.890 114.4 -78.0-134.4 164.1 13.0 11.6 0.1 332 337 A R - 0 0 65 -2,-0.3 -142,-0.2 1,-0.1 -2,-0.1 -0.552 61.3-118.1 -62.6 119.0 12.4 8.0 -1.2 333 338 A V - 0 0 4 -2,-0.4 -117,-0.2 -4,-0.1 2,-0.2 -0.428 18.6-131.2 -74.6 122.2 8.8 8.3 -2.4 334 339 A P - 0 0 6 0, 0.0 -117,-1.5 0, 0.0 2,-0.4 -0.498 20.2-145.8 -67.9 139.4 6.3 6.1 -0.7 335 340 A M E -r 217 0G 8 -119,-0.2 2,-0.3 -2,-0.2 -55,-0.0 -0.889 21.1-165.7-108.8 145.0 4.1 4.2 -3.2 336 341 A E E -r 218 0G 4 -119,-2.4 -117,-3.5 -2,-0.4 2,-0.5 -0.834 30.1-144.4-134.3 161.9 0.5 3.6 -2.4 337 342 A T S S- 0 0 75 -144,-0.3 -2,-0.0 -2,-0.3 -120,-0.0 -0.966 93.3 -31.7-121.4 105.2 -2.7 1.7 -3.1 338 343 A N S > S+ 0 0 101 -2,-0.5 4,-0.7 1,-0.1 -1,-0.0 0.773 88.5 147.6 52.5 31.5 -5.7 3.9 -2.6 339 344 A Y T >4 S+ 0 0 5 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.948 71.5 42.9 -58.5 -53.1 -3.9 5.8 0.2 340 345 A Y G >4 S+ 0 0 1 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.807 107.1 59.8 -66.5 -29.8 -5.6 9.2 -0.5 341 346 A E G >4 S+ 0 0 64 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.632 89.8 73.8 -78.4 -9.7 -9.1 7.7 -1.0 342 347 A T G X< S+ 0 0 9 -3,-0.9 3,-1.2 -4,-0.7 -1,-0.3 0.849 90.1 57.5 -61.3 -37.2 -8.9 6.4 2.5 343 348 A Y G < S+ 0 0 13 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.547 91.8 69.6 -79.6 -7.1 -9.5 9.9 3.8 344 349 A N G < S+ 0 0 43 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.706 80.9 101.9 -74.4 -24.7 -12.7 10.2 1.9 345 350 A R S X S- 0 0 109 -3,-1.2 3,-0.9 -4,-0.4 -3,-0.0 -0.216 77.0-129.8 -56.6 149.6 -14.2 7.6 4.3 346 351 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.880 105.9 52.5 -63.4 -41.8 -16.5 8.8 7.1 347 352 A N T 3 S+ 0 0 26 -147,-0.1 -141,-2.5 -144,-0.1 2,-0.5 0.236 93.8 87.4 -86.6 10.6 -14.6 6.8 9.8 348 353 A V E < -o 206 0D 9 -3,-0.9 2,-0.4 -143,-0.2 -141,-0.2 -0.963 52.3-174.0-123.1 126.5 -11.2 8.2 9.0 349 354 A H E -o 207 0D 62 -143,-2.9 -141,-3.5 -2,-0.5 2,-0.6 -0.947 18.3-144.5-123.5 133.4 -9.6 11.4 10.4 350 355 A L E -o 208 0D 27 -2,-0.4 2,-0.7 -143,-0.2 -141,-0.2 -0.840 17.3-160.7 -91.9 122.5 -6.4 13.2 9.6 351 356 A V E -o 209 0D 11 -143,-3.7 -141,-2.2 -2,-0.6 2,-1.0 -0.909 9.0-146.7-109.9 110.7 -4.9 14.7 12.8 352 357 A D E > +o 210 0D 36 -2,-0.7 4,-1.2 -143,-0.2 -141,-0.2 -0.612 21.6 174.3 -75.6 100.1 -2.4 17.5 12.1 353 358 A I T 4 + 0 0 16 -143,-1.5 -142,-0.2 -2,-1.0 -1,-0.2 0.456 69.8 71.5 -90.9 -3.6 0.2 17.2 14.9 354 359 A R T 4 S+ 0 0 126 -144,-0.7 -1,-0.2 -143,-0.2 -143,-0.1 0.958 109.0 35.9 -63.7 -52.8 2.5 19.9 13.6 355 360 A E T 4 S+ 0 0 131 1,-0.3 -2,-0.2 -144,-0.1 -1,-0.1 0.891 137.2 24.3 -68.6 -36.2 -0.1 22.5 14.6 356 361 A A S < S- 0 0 3 -4,-1.2 -1,-0.3 13,-0.0 14,-0.2 -0.789 88.5-153.5-130.7 83.6 -1.0 20.5 17.7 357 362 A P - 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0 0 23 -2,-3.1 -4,-0.4 -9,-0.1 2,-0.3 -0.977 49.7-173.8-140.4 156.3 43.4 2.7 -19.3 792 258 B H - 0 0 53 -2,-0.3 2,-0.1 -7,-0.1 -7,-0.1 -0.979 35.5 -88.0-144.9 158.0 41.2 5.8 -18.3 793 259 B R - 0 0 54 -2,-0.3 33,-0.2 1,-0.1 31,-0.1 -0.392 38.4-111.2 -67.4 138.6 41.7 9.6 -18.4 794 260 B D - 0 0 36 31,-2.6 33,-0.3 30,-0.2 -1,-0.1 -0.337 31.7-122.9 -49.7 144.3 43.3 11.6 -15.7 795 261 B P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.785 85.3 82.8 -69.7 -23.7 40.5 13.7 -14.1 796 262 B R S S- 0 0 78 29,-0.1 31,-1.9 1,-0.1 32,-0.3 -0.401 78.1-121.5 -85.7 151.7 42.3 17.0 -14.8 797 263 B K > - 0 0 68 29,-0.2 3,-0.8 30,-0.2 -1,-0.1 -0.544 32.9-108.5 -79.3 158.0 42.4 19.1 -18.0 798 264 B G G > S+ 0 0 0 1,-0.2 3,-0.9 -2,-0.2 -1,-0.1 0.884 120.3 51.0 -48.9 -47.6 45.8 19.8 -19.5 799 265 B T G 3 S+ 0 0 58 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.649 89.0 77.1 -75.5 -11.5 45.6 23.5 -18.4 800 266 B D G < S+ 0 0 88 -3,-0.8 2,-0.4 2,-0.0 -1,-0.3 0.408 94.3 77.9 -65.1 7.2 44.7 22.6 -14.8 801 267 B V S < S- 0 0 8 -3,-0.9 2,-0.1 -5,-0.0 5,-0.0 -0.960 81.1-123.9-135.0 134.0 48.5 21.8 -14.8 802 268 B S >> - 0 0 51 -2,-0.4 4,-2.6 1,-0.1 3,-0.6 -0.374 35.2-111.8 -65.2 149.4 51.8 23.8 -14.6 803 269 B E H 3> S+ 0 0 136 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.873 118.5 48.1 -51.9 -42.5 54.3 23.3 -17.4 804 270 B S H 3> S+ 0 0 94 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.797 111.2 51.1 -75.2 -24.7 56.8 21.5 -15.1 805 271 B E H <> S+ 0 0 113 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.867 113.0 46.9 -71.7 -38.0 54.0 19.3 -13.7 806 272 B R H X S+ 0 0 19 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.955 107.9 53.6 -65.7 -56.0 52.9 18.4 -17.3 807 273 B D H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.850 113.0 44.8 -41.5 -47.0 56.5 17.6 -18.6 808 274 B A H X S+ 0 0 62 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.832 112.1 52.1 -68.8 -44.0 57.0 15.2 -15.6 809 275 B F H X S+ 0 0 40 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.952 114.5 42.3 -55.6 -55.8 53.6 13.6 -16.2 810 276 B F H X S+ 0 0 6 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.901 110.4 56.9 -60.5 -42.5 54.3 13.1 -19.9 811 277 B E H X S+ 0 0 54 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.911 110.9 44.4 -53.9 -42.5 57.9 11.9 -19.2 812 278 B E H X S+ 0 0 140 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.935 115.2 45.6 -74.3 -48.1 56.4 9.2 -16.9 813 279 B L H >< S+ 0 0 15 -4,-2.5 3,-1.6 1,-0.2 8,-0.4 0.917 109.1 57.3 -54.0 -50.2 53.6 8.1 -19.4 814 280 B Y H 3< S+ 0 0 13 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 108.4 46.8 -51.8 -36.0 56.1 8.1 -22.3 815 281 B R H 3< S+ 0 0 172 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.535 94.8 96.1 -88.7 -4.4 58.2 5.6 -20.4 816 282 B Q S << S- 0 0 76 -3,-1.6 5,-0.2 -4,-0.5 2,-0.1 -0.641 82.5-108.4 -87.3 137.3 55.3 3.4 -19.5 817 283 B P S S+ 0 0 58 0, 0.0 3,-0.4 0, 0.0 -58,-0.2 -0.365 77.5 6.1 -58.9 141.1 54.5 0.3 -21.6 818 284 B G S > S- 0 0 2 -60,-2.6 3,-0.6 -61,-0.2 -224,-0.1 -0.315 110.6 -32.6 88.3-161.2 51.3 0.4 -23.7 819 285 B Y T >> S+ 0 0 0 -226,-0.3 4,-3.2 1,-0.2 3,-1.8 0.259 87.2 113.3 -92.0 8.6 48.8 3.1 -24.5 820 286 B G H 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.832 74.9 60.8 -42.6 -42.0 48.7 5.1 -21.4 821 287 B I H <4 S+ 0 0 3 -3,-0.6 -1,-0.3 -8,-0.4 -2,-0.1 0.791 119.7 27.0 -60.7 -28.9 50.3 8.1 -23.3 822 288 B W H <4 S+ 0 0 8 -3,-1.8 3,-0.3 -9,-0.1 -2,-0.2 0.805 131.3 35.5-101.6 -39.3 47.3 8.2 -25.6 823 289 B L H < S+ 0 0 13 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.725 119.1 45.4 -95.8 -24.4 44.5 6.7 -23.4 824 290 B S S < S+ 0 0 22 -4,-2.5 -30,-0.2 -5,-0.4 -1,-0.2 -0.052 84.3 119.1-106.4 35.4 45.4 8.1 -19.9 825 291 B G S S- 0 0 1 -3,-0.3 -31,-2.6 1,-0.2 2,-0.2 0.221 80.6 -53.4 -71.3-155.3 46.2 11.7 -20.8 826 292 B F > - 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