==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JAN-10 3ADA . COMPND 2 MOLECULE: SARCOSINE OXIDASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM SP. U-96; . AUTHOR H.SUZUKI,T.MORIGUCHI,K.IDA . 1646 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1117 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 320 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 129 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 3 3 2 3 5 3 2 1 3 1 6 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 6 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 8 8 12 7 6 7 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 1 3 3 2 1 1 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 1 A S 0 0 90 0, 0.0 284,-0.1 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 167.4 -33.8 119.3 52.6 2 2 A K - 0 0 131 281,-0.1 46,-0.1 1,-0.1 281,-0.1 -0.531 360.0-108.3 -76.7 144.8 -35.8 116.5 51.1 3 3 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 279,-0.2 -0.266 46.8-172.2 -62.2 161.5 -36.7 116.7 47.4 4 4 A Q E -A 281 0A 84 277,-2.4 277,-2.9 42,-0.1 2,-0.3 -0.997 30.5-108.7-156.0 153.3 -40.5 117.4 46.9 5 5 A R E -A 280 0A 40 40,-0.8 275,-0.3 -2,-0.3 2,-0.1 -0.701 40.8-134.5 -76.2 139.6 -43.2 117.7 44.3 6 6 A L - 0 0 18 273,-3.0 5,-0.1 -2,-0.3 -1,-0.0 -0.467 38.0 -69.6 -92.2 171.2 -44.3 121.3 43.9 7 7 A S >> - 0 0 55 -2,-0.1 4,-0.8 1,-0.1 3,-0.8 -0.171 37.9-118.0 -64.7 152.1 -47.9 122.4 43.8 8 8 A A G >4 S+ 0 0 57 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.827 116.7 58.1 -53.2 -36.1 -50.2 121.6 40.9 9 9 A A G >4 S+ 0 0 97 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.859 106.7 45.3 -66.0 -36.4 -50.5 125.3 40.3 10 10 A Q G <4 S+ 0 0 107 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.535 115.1 49.8 -78.3 -9.6 -46.7 125.8 39.8 11 11 A T G X< + 0 0 14 -4,-0.8 3,-2.1 -3,-0.6 -1,-0.2 -0.097 62.8 147.5-128.3 34.4 -46.3 122.7 37.5 12 12 A A T < S+ 0 0 92 -3,-0.5 3,-0.1 1,-0.3 267,-0.1 -0.383 75.2 35.5 -69.3 148.0 -48.9 122.8 34.7 13 13 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.1 2,-0.2 0.501 80.4 136.2 85.7 -14.2 -47.3 121.2 31.8 14 14 A A < - 0 0 11 -3,-2.1 2,-1.3 1,-0.1 -1,-0.3 -0.527 67.7-115.7 -55.0 146.6 -45.3 118.7 33.8 15 15 A R S S+ 0 0 73 262,-2.6 2,-0.3 152,-0.2 -1,-0.1 -0.341 82.7 97.7 -91.5 54.3 -45.7 115.4 32.0 16 16 A I S S- 0 0 24 -2,-1.3 2,-0.8 20,-0.1 20,-0.2 -0.913 72.0-125.1-135.3 154.8 -47.7 113.6 34.7 17 17 A N E > -B 35 0B 74 18,-2.6 3,-2.2 -2,-0.3 18,-0.6 -0.879 17.0-171.6-106.9 98.5 -51.4 113.1 35.2 18 18 A R E 3 S+ 0 0 75 -2,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.587 84.1 65.3 -64.9 -2.9 -52.5 114.4 38.5 19 19 A D E 3 S+ 0 0 157 1,-0.2 2,-0.3 16,-0.1 -1,-0.3 0.462 97.3 62.4 -97.6 -1.1 -55.9 112.8 37.9 20 20 A E E < S- 0 0 77 -3,-2.2 15,-2.1 15,-0.1 -1,-0.2 -0.659 71.4-174.4-130.8 81.5 -54.3 109.4 38.0 21 21 A A E +B 34 0B 69 -2,-0.3 2,-0.3 -3,-0.2 13,-0.3 -0.277 5.9 177.5 -68.6 150.1 -52.6 108.6 41.4 22 22 A L E -B 33 0B 3 11,-2.4 11,-2.3 77,-0.1 2,-0.3 -0.905 15.2-147.6-146.0 166.5 -50.6 105.4 41.8 23 23 A T E +B 32 0B 53 -2,-0.3 77,-2.4 9,-0.2 78,-0.6 -0.958 17.4 171.3-138.4 161.2 -48.5 104.0 44.6 24 24 A L E -Bc 31 101B 0 7,-1.8 7,-3.8 -2,-0.3 2,-0.4 -0.918 26.1-122.2-156.9 172.6 -45.5 101.8 44.5 25 25 A T E -Bc 30 102B 32 76,-2.3 78,-2.3 -2,-0.3 2,-0.4 -0.979 15.8-168.7-126.6 137.2 -43.0 100.5 47.0 26 26 A V E > S-Bc 29 103B 2 3,-2.6 3,-1.7 -2,-0.4 78,-0.2 -0.996 79.4 -19.4-125.9 123.8 -39.2 101.1 47.0 27 27 A D T 3 S- 0 0 93 76,-2.6 -1,-0.1 -2,-0.4 77,-0.1 0.914 130.5 -48.8 44.3 49.1 -37.1 99.0 49.4 28 28 A G T 3 S+ 0 0 74 75,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.639 115.1 118.9 76.7 6.8 -40.3 98.2 51.5 29 29 A Q E < -B 26 0B 91 -3,-1.7 -3,-2.6 2,-0.0 2,-0.3 -0.937 62.2-131.6-111.5 129.0 -41.3 101.9 51.6 30 30 A Q E -B 25 0B 146 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.620 28.2-171.8 -83.2 136.8 -44.6 103.0 50.1 31 31 A L E -B 24 0B 2 -7,-3.8 -7,-1.8 -2,-0.3 2,-0.3 -0.934 20.0-128.1-124.6 150.9 -44.6 106.0 47.8 32 32 A S E +B 23 0B 72 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.740 36.3 159.1 -86.7 143.3 -47.1 108.2 46.0 33 33 A A E -B 22 0B 1 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.3 -0.833 30.2-131.1-150.2 177.1 -46.9 108.8 42.3 34 34 A F E > -B 21 0B 42 -13,-0.3 3,-2.7 -2,-0.2 -13,-0.2 -0.936 45.7 -84.5-130.3 151.4 -48.9 109.9 39.2 35 35 A R E 3 S+B 17 0B 59 -15,-2.1 -18,-2.6 -18,-0.6 -15,-0.1 -0.397 121.3 43.5 -54.2 129.7 -49.1 108.3 35.8 36 36 A G T 3 S+ 0 0 32 1,-0.5 -1,-0.3 61,-0.3 -21,-0.1 -0.078 87.5 121.7 112.5 -28.5 -46.1 109.7 33.9 37 37 A D < - 0 0 0 -3,-2.7 60,-2.8 -20,-0.1 -1,-0.5 -0.261 51.3-148.9 -55.8 148.4 -43.7 109.2 36.9 38 38 A T B > -F 96 0C 4 58,-0.3 4,-2.1 -3,-0.1 5,-0.3 -0.685 36.7-101.3 -99.9 174.0 -40.6 107.1 36.7 39 39 A V H > S+ 0 0 0 56,-2.1 4,-2.8 53,-0.7 54,-0.2 0.945 124.5 50.4 -60.0 -38.7 -39.4 105.3 39.8 40 40 A A H > S+ 0 0 0 52,-1.8 4,-2.5 2,-0.2 5,-0.3 0.934 110.0 48.0 -67.5 -50.1 -36.7 108.1 40.2 41 41 A S H > S+ 0 0 0 51,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.921 112.8 48.5 -61.2 -37.0 -39.1 111.0 39.8 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 6,-0.2 0.915 108.8 54.7 -68.1 -41.3 -41.5 109.4 42.3 43 43 A M H ><>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.3 3,-0.8 0.989 112.5 42.2 -52.5 -52.2 -38.6 108.8 44.7 44 44 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.883 110.8 56.7 -65.4 -38.9 -37.7 112.5 44.6 45 45 A A H 3<5S+ 0 0 17 -4,-3.3 -40,-0.8 1,-0.3 -1,-0.3 0.796 108.2 48.7 -61.2 -25.7 -41.4 113.5 44.8 46 46 A N T <<5S- 0 0 41 -4,-1.7 -1,-0.3 -3,-0.8 -2,-0.2 0.185 127.7 -98.0 -96.9 19.1 -41.6 111.5 48.0 47 47 A G T < 5S+ 0 0 11 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.658 82.9 129.2 81.6 14.6 -38.5 113.1 49.5 48 48 A L < + 0 0 37 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.896 16.4 157.2-108.1 116.2 -36.0 110.3 48.6 49 49 A R + 0 0 11 -2,-0.6 14,-1.9 -3,-0.1 215,-0.3 0.715 52.3 82.9-103.7 -23.2 -32.8 111.4 46.8 50 50 A S B +G 62 0D 35 12,-0.2 12,-0.3 213,-0.1 2,-0.2 -0.494 51.1 178.0 -83.6 150.9 -30.5 108.5 47.7 51 51 A C - 0 0 10 10,-2.5 10,-0.5 1,-0.3 22,-0.1 -0.408 50.0 -29.9-125.1-156.6 -30.3 105.1 45.9 52 52 A G S S- 0 0 10 54,-0.4 -1,-0.3 22,-0.3 54,-0.1 -0.277 72.4-102.7 -59.8 146.6 -28.2 102.1 46.4 53 53 A N - 0 0 67 52,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.186 53.3 -75.9 -63.5 164.9 -24.7 102.6 47.8 54 54 A S > - 0 0 7 5,-3.0 4,-0.6 1,-0.1 -1,-0.1 -0.213 43.9-118.2 -66.8 157.4 -21.8 102.5 45.3 55 55 A M T 4 S+ 0 0 36 431,-0.5 -1,-0.1 2,-0.1 432,-0.1 0.815 97.8 13.5 -72.7 -38.8 -20.8 99.1 44.2 56 56 A Y T 4 S+ 0 0 110 3,-0.0 -1,-0.1 52,-0.0 432,-0.1 0.835 133.1 37.0-108.2 -41.0 -17.1 98.7 45.4 57 57 A L T 4 S- 0 0 93 2,-0.1 -2,-0.1 0, 0.0 -3,-0.1 0.468 94.3-134.6 -92.5 -7.5 -16.5 101.5 48.0 58 58 A D < + 0 0 104 -4,-0.6 -3,-0.1 1,-0.2 -5,-0.1 0.799 45.4 165.1 59.1 34.0 -19.9 101.3 49.3 59 59 A R - 0 0 41 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.2 -0.471 47.5 -90.9 -78.9 156.3 -20.3 105.1 49.2 60 60 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.402 53.0-176.2 -60.3 133.4 -23.6 107.0 49.6 61 61 A R - 0 0 3 -10,-0.5 -10,-2.5 201,-0.2 2,-0.3 -0.946 9.2-166.8-135.8 154.7 -25.1 107.6 46.0 62 62 A G B -G 50 0D 2 199,-0.4 -12,-0.2 -2,-0.3 10,-0.2 -0.886 42.8 -69.0-132.4 173.3 -28.1 109.3 44.7 63 63 A I - 0 0 1 -14,-1.9 201,-0.4 -2,-0.3 3,-0.1 -0.432 49.6-176.7 -61.0 135.0 -30.1 109.6 41.5 64 64 A F + 0 0 5 202,-0.1 203,-2.8 -2,-0.1 2,-0.2 0.683 52.9 8.1-112.5 -30.0 -27.8 111.5 39.2 65 65 A S - 0 0 0 201,-0.2 8,-0.0 2,-0.1 -1,-0.0 -0.663 61.4-119.8-143.9-172.7 -29.7 112.1 35.9 66 66 A A S S+ 0 0 5 -2,-0.2 2,-0.3 -3,-0.1 -25,-0.0 -0.093 84.1 37.4-129.6 28.4 -33.2 111.8 34.3 67 67 A G S > S- 0 0 9 92,-0.0 3,-1.8 27,-0.0 26,-0.2 -0.861 105.1 -56.0-154.9-160.3 -32.5 109.5 31.5 68 68 A V T 3 S+ 0 0 23 -2,-0.3 454,-0.1 1,-0.3 26,-0.1 0.629 114.9 73.0 -67.7 -11.7 -30.8 106.5 30.1 69 69 A E T 3 + 0 0 18 453,-0.1 -1,-0.3 24,-0.1 454,-0.1 0.514 69.9 137.9 -81.0 -1.8 -27.3 107.9 31.0 70 70 A E < + 0 0 2 -3,-1.8 452,-0.1 1,-0.1 -7,-0.0 -0.195 28.4 177.2 -47.7 120.6 -28.1 107.1 34.7 71 71 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.740 69.1 31.0 -97.2 -25.5 -25.1 105.6 36.5 72 72 A N S S+ 0 0 15 1,-0.2 2,-1.6 -10,-0.2 -20,-0.2 0.831 96.9 69.0-101.8 -45.5 -26.3 105.2 40.1 73 73 A A + 0 0 0 -11,-0.2 19,-3.1 -22,-0.1 20,-0.4 -0.571 58.3 156.5 -95.2 75.4 -29.9 104.5 40.6 74 74 A L E -D 91 0B 1 -2,-1.6 32,-2.5 32,-0.4 2,-0.3 -0.696 18.3-169.5 -92.5 150.0 -30.5 101.0 39.2 75 75 A I E -DE 90 105B 0 15,-3.1 15,-2.5 -2,-0.3 2,-0.5 -0.983 28.3-130.9-136.8 152.4 -33.4 98.8 40.4 76 76 A T E - E 0 104B 16 28,-1.8 28,-1.7 -2,-0.3 2,-0.5 -0.889 31.1-148.4 -87.4 124.9 -34.8 95.3 40.2 77 77 A V E -DE 87 103B 2 10,-3.6 10,-2.4 -2,-0.5 26,-0.2 -0.900 14.7-129.0 -95.6 126.7 -38.5 95.7 39.2 78 78 A G - 0 0 15 24,-3.7 24,-0.3 -2,-0.5 8,-0.1 -0.394 42.8 -77.0 -72.9 153.8 -40.8 92.9 40.8 79 79 A A - 0 0 46 1,-0.2 7,-0.1 5,-0.2 -1,-0.1 -0.174 40.8-150.9 -42.7 126.0 -43.1 91.0 38.4 80 80 A R - 0 0 35 5,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.625 69.5 -13.0 -81.6 -13.8 -46.0 93.3 37.7 81 81 A H S > S- 0 0 45 4,-0.1 3,-1.2 144,-0.0 -1,-0.2 -0.973 87.6 -73.0-172.4 175.5 -48.5 90.6 37.2 82 82 A Q T 3 S+ 0 0 201 -2,-0.3 143,-0.0 1,-0.3 -3,-0.0 0.634 126.3 57.8 -63.0 -12.6 -48.9 86.9 36.7 83 83 A A T 3 S+ 0 0 51 143,-0.1 2,-0.3 34,-0.0 -1,-0.3 -0.100 103.6 69.5 -99.2 35.5 -47.5 87.3 33.1 84 84 A D < - 0 0 11 -3,-1.2 2,-0.3 34,-0.1 -5,-0.2 -0.905 60.3-154.3-144.3 161.7 -44.3 88.9 34.3 85 85 A I - 0 0 8 -2,-0.3 -5,-0.3 -7,-0.1 2,-0.2 -0.856 42.6 -81.1-128.7 174.0 -41.1 88.1 36.2 86 86 A N - 0 0 66 -2,-0.3 27,-0.5 -7,-0.1 2,-0.4 -0.535 45.5-159.8 -70.1 137.6 -38.6 90.3 38.3 87 87 A E E -D 77 0B 9 -10,-2.4 -10,-3.6 -2,-0.2 3,-0.3 -0.989 8.6-155.2-129.8 126.4 -36.3 92.1 35.9 88 88 A S E + 0 0 2 -2,-0.4 -12,-0.2 1188,-0.3 22,-0.1 -0.444 58.6 31.4-101.8 165.6 -33.0 93.5 37.3 89 89 A M E S+ 0 0 4 1,-0.2 -13,-0.2 20,-0.2 -1,-0.2 0.818 73.4 149.4 59.5 38.6 -30.4 96.3 36.5 90 90 A L E -D 75 0B 29 -15,-2.5 -15,-3.1 -3,-0.3 2,-0.4 -0.841 53.1-110.6-102.1 142.3 -32.9 98.7 35.1 91 91 A P E > -D 74 0B 19 0, 0.0 3,-2.8 0, 0.0 4,-0.5 -0.530 15.8-143.6 -69.8 129.2 -32.4 102.5 35.5 92 92 A A G > S+ 0 0 0 -19,-3.1 -52,-1.8 -2,-0.4 -53,-0.7 0.762 98.8 66.4 -64.8 -22.2 -34.9 103.9 37.9 93 93 A T G 3 S+ 0 0 5 -20,-0.4 -1,-0.3 1,-0.2 -25,-0.1 0.596 106.8 35.7 -76.9 -11.9 -34.9 106.9 35.6 94 94 A T G < S+ 0 0 68 -3,-2.8 2,-0.8 -27,-0.1 -1,-0.2 0.282 90.1 103.3-122.3 11.4 -36.5 105.1 32.7 95 95 A V < - 0 0 10 -3,-0.6 -56,-2.1 -4,-0.5 2,-0.2 -0.886 66.9-140.8 -93.6 110.7 -38.9 102.7 34.5 96 96 A S B -F 38 0C 15 -2,-0.8 -58,-0.3 -58,-0.2 2,-0.2 -0.520 24.7-113.1 -68.0 128.4 -42.4 104.1 34.2 97 97 A V - 0 0 3 -60,-2.8 -61,-0.3 -2,-0.2 2,-0.3 -0.494 32.9-168.2 -64.2 132.8 -44.3 103.7 37.5 98 98 A T > - 0 0 2 -2,-0.2 3,-2.3 125,-0.1 125,-0.1 -0.880 41.4 -80.3-113.9 157.5 -47.2 101.2 37.4 99 99 A D T 3 S+ 0 0 89 -2,-0.3 -75,-0.2 1,-0.3 -77,-0.1 -0.330 117.9 4.5 -63.9 128.0 -49.9 100.9 40.2 100 100 A G T 3 S+ 0 0 44 -77,-2.4 -1,-0.3 1,-0.2 -76,-0.2 0.639 87.9 168.8 68.9 17.4 -48.4 98.8 42.9 101 101 A L E < -c 24 0B 3 -3,-2.3 -76,-2.3 -78,-0.6 2,-0.4 -0.353 23.3-146.8 -58.2 141.3 -44.9 98.4 41.3 102 102 A N E -c 25 0B 83 -24,-0.3 -24,-3.7 -78,-0.2 2,-0.4 -0.967 19.0-179.5-116.0 127.5 -42.3 97.0 43.6 103 103 A A E -cE 26 77B 1 -78,-2.3 -76,-2.6 -2,-0.4 2,-0.5 -0.950 16.7-159.5-131.6 139.2 -38.6 98.1 43.3 104 104 A T E - E 0 76B 78 -28,-1.7 -28,-1.8 -2,-0.4 2,-0.2 -0.987 27.6-122.2-114.5 126.2 -35.4 97.1 45.1 105 105 A L E - E 0 75B 31 -2,-0.5 -30,-0.2 -30,-0.2 2,-0.2 -0.468 31.7-152.6 -68.3 127.4 -32.4 99.6 45.0 106 106 A L - 0 0 15 -32,-2.5 -54,-0.4 -2,-0.2 -32,-0.4 -0.581 20.5-147.0 -97.2 166.5 -29.3 98.0 43.6 107 107 A S S S- 0 0 52 2,-0.3 -49,-0.1 -2,-0.2 -34,-0.1 -0.536 73.6 -69.9-125.2 53.6 -25.6 98.6 44.0 108 108 A G S S+ 0 0 8 -36,-0.2 2,-0.5 1,-0.1 1105,-0.3 0.304 109.0 98.6 84.1 -6.9 -24.4 97.7 40.5 109 109 A L - 0 0 63 1103,-0.1 -2,-0.3 1105,-0.0 1105,-0.2 -0.960 59.9-143.9-121.1 127.2 -25.1 93.9 40.7 110 110 A G B -h 1214 0E 0 1103,-2.9 1105,-2.8 -2,-0.5 2,-0.4 -0.342 3.2-147.9 -84.8 166.0 -28.1 92.2 39.3 111 111 A V - 0 0 66 1103,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.999 15.8-140.6-124.3 133.2 -30.2 89.2 40.4 112 112 A L - 0 0 10 -2,-0.4 -25,-0.1 1103,-0.2 1162,-0.1 -0.793 21.5-120.5 -90.2 133.4 -32.0 86.9 37.8 113 113 A D - 0 0 19 -27,-0.5 1163,-0.2 -2,-0.4 1162,-0.1 -0.553 15.2-147.9 -68.3 128.0 -35.5 85.7 38.7 114 114 A P S S+ 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.667 70.8 97.4 -80.3 -8.2 -35.3 82.0 38.7 115 115 A S S S- 0 0 71 1,-0.1 -2,-0.1 1158,-0.1 -29,-0.1 -0.546 88.0-104.3 -68.8 142.8 -39.0 81.7 37.5 116 116 A E - 0 0 118 -2,-0.2 1157,-0.1 1,-0.1 -1,-0.1 -0.320 35.9-110.8 -64.6 147.7 -39.2 81.1 33.7 117 117 A D - 0 0 15 1155,-0.4 -1,-0.1 1,-0.1 -32,-0.1 -0.696 30.5-173.2 -85.1 120.6 -40.3 84.2 31.8 118 118 A P + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.420 44.6 118.7 -93.1 8.3 -43.8 83.7 30.5 119 119 A A - 0 0 15 1,-0.1 2,-0.4 113,-0.0 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2,-0.3 6,-0.2 -1,-0.2 0.485 117.4 -74.5 -98.8 -10.4 -4.9 119.1 49.4 472 472 A G B < -Z 469 0N 24 -3,-1.1 -3,-0.6 1,-0.1 -1,-0.3 -0.825 40.9 -77.2 144.3-173.6 -2.3 118.8 46.7 473 473 A D S S+ 0 0 140 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.1 0.505 81.3 95.5-107.0 -12.1 -1.0 117.4 43.5 474 474 A D S > S- 0 0 90 -3,-0.1 3,-2.0 1,-0.1 4,-0.1 -0.464 85.3 -96.8 -89.8 168.5 -0.0 113.8 44.0 475 475 A A G > S+ 0 0 47 1,-0.3 3,-2.4 2,-0.2 4,-0.1 0.719 111.8 66.1 -56.6 -37.6 -2.1 110.8 43.4 476 476 A V G > S+ 0 0 89 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.795 95.0 59.5 -59.2 -25.5 -3.4 110.2 46.9 477 477 A H G < S+ 0 0 53 -3,-2.0 -1,-0.3 1,-0.2 3,-0.2 0.466 98.2 61.9 -84.1 1.3 -5.4 113.3 46.8 478 478 A Y G X + 0 0 12 -3,-2.4 14,-2.0 1,-0.1 3,-1.1 0.174 66.1 104.7-112.7 13.9 -7.4 112.0 43.7 479 479 A K T < S+ 0 0 110 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.475 87.4 42.4 -74.9 -10.7 -9.1 108.9 45.2 480 480 A F T 3 S+ 0 0 71 -3,-0.2 -221,-1.8 2,-0.1 2,-1.1 0.069 82.4 106.7-119.6 16.8 -12.5 110.7 45.4 481 481 A H B < -Q 258 0I 0 -3,-1.1 10,-1.5 -223,-0.2 2,-0.3 -0.774 66.2-152.4 -89.6 86.7 -12.3 112.4 42.0 482 482 A F E +A 490 0O 6 -2,-1.1 8,-0.3 -225,-0.5 -225,-0.2 -0.466 33.1 164.2 -74.3 129.2 -14.9 110.1 40.2 483 483 A V E S+ 0 0 6 6,-2.7 2,-0.5 1,-0.3 7,-0.2 0.707 80.3 27.8-104.7 -41.5 -14.6 109.5 36.6 484 484 A D E >S-A 489 0O 0 5,-2.4 5,-2.1 1,-0.2 4,-0.4 -0.930 70.1-171.3-125.1 99.1 -16.9 106.5 36.3 485 485 A L T > 5S+ 0 0 10 -2,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.939 83.0 47.1 -59.5 -48.6 -19.5 106.5 39.1 486 486 A Q T 3 5S+ 0 0 11 1,-0.3 -431,-0.5 2,-0.1 -1,-0.2 0.900 115.9 45.4 -65.3 -40.8 -21.0 103.1 38.6 487 487 A R T 3 5S- 0 0 10 2,-0.1 -1,-0.3 -432,-0.1 -2,-0.2 0.466 105.6-128.3 -75.3 0.9 -17.6 101.4 38.4 488 488 A D T < 5 + 0 0 5 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.855 55.8 155.0 51.1 37.2 -16.4 103.4 41.4 489 489 A Q E < -A 484 0O 28 -5,-2.1 -6,-2.7 24,-0.1 -5,-2.4 -0.843 18.7-177.8-101.3 136.6 -13.3 104.5 39.3 490 490 A T E > -A 482 0O 4 -2,-0.4 4,-1.9 -8,-0.3 3,-0.2 -0.589 45.4 -93.5-124.5 175.7 -11.4 107.8 40.0 491 491 A V H > S+ 0 0 0 -10,-1.5 4,-2.8 -13,-0.6 5,-0.2 0.896 124.7 60.0 -61.4 -35.8 -8.5 109.9 38.8 492 492 A A H > S+ 0 0 15 -14,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.885 103.5 50.7 -58.1 -38.3 -6.3 108.0 41.2 493 493 A D H > S+ 0 0 46 -15,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.915 109.6 49.9 -69.5 -38.0 -7.2 104.8 39.4 494 494 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.934 108.4 52.7 -60.4 -45.6 -6.3 106.4 36.1 495 495 A L H X S+ 0 0 46 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.867 105.7 55.6 -58.9 -32.8 -2.9 107.5 37.6 496 496 A R H X S+ 0 0 105 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.925 108.6 46.9 -70.0 -40.1 -2.3 104.0 38.6 497 497 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.5 2,-0.2 3,-0.5 0.899 115.7 42.8 -63.2 -49.1 -2.8 102.7 35.1 498 498 A T H ><5S+ 0 0 29 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.899 109.8 59.6 -66.8 -35.2 -0.6 105.4 33.5 499 499 A G H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.781 100.3 59.4 -53.1 -29.3 1.9 104.8 36.3 500 500 A A T <<5S- 0 0 0 -4,-0.8 470,-2.3 -3,-0.5 471,-1.5 0.422 129.3 -88.7 -90.2 3.7 2.1 101.3 35.1 501 501 A G T < 5S+ 0 0 8 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.153 85.0 129.8 114.8 -18.4 3.3 102.0 31.6 502 502 A M < + 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.431 14.9 152.0 -82.3 139.5 -0.1 102.4 29.8 503 503 A Q + 0 0 103 -2,-0.2 -1,-0.1 41,-0.0 2,-0.1 0.562 42.8 98.7-127.8 -22.6 -1.0 105.3 27.6 504 504 A S S > S- 0 0 37 1,-0.2 4,-2.6 4,-0.0 3,-0.2 -0.483 72.7-131.2 -69.6 142.1 -3.6 104.1 25.1 505 505 A V H > S+ 0 0 16 39,-0.5 4,-2.4 1,-0.2 5,-0.2 0.833 110.8 59.4 -62.0 -25.6 -7.2 105.0 26.1 506 506 A E H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 106.9 43.6 -68.8 -40.7 -7.9 101.3 25.3 507 507 A H H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.930 114.2 50.2 -67.6 -46.6 -5.3 100.1 27.9 508 508 A I H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 6,-0.5 0.904 108.9 52.7 -57.2 -44.9 -6.6 102.6 30.4 509 509 A K H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.949 114.9 41.7 -54.3 -49.9 -10.3 101.4 29.8 510 510 A R H < S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.1 48.9 -78.9 -28.9 -9.3 97.8 30.5 511 511 A Y H < S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.912 124.0 29.9 -75.0 -41.2 -7.0 98.5 33.5 512 512 A T H < S- 0 0 6 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.807 97.9-129.4 -85.0 -28.0 -9.5 100.7 35.3 513 513 A S >< + 0 0 18 -4,-2.4 3,-1.9 -5,-0.3 4,-0.2 0.396 48.9 165.2 81.4 7.9 -12.8 99.1 34.0 514 514 A I T 3 + 0 0 6 -6,-0.5 -1,-0.3 -5,-0.4 -2,-0.1 -0.324 62.2 9.4 -63.3 128.6 -13.9 102.7 33.1 515 515 A S T 3 S+ 0 0 9 -3,-0.1 -1,-0.3 1,-0.0 7,-0.1 0.485 98.1 103.4 83.5 11.0 -16.9 102.7 30.7 516 516 A T < + 0 0 32 -3,-1.9 -2,-0.1 -7,-0.1 -1,-0.0 0.336 54.5 104.2-100.5 2.3 -17.7 99.0 31.0 517 517 A A S > S- 0 0 6 -4,-0.2 3,-1.9 1,-0.1 -30,-0.0 -0.038 96.1 -82.8 -76.6-176.7 -20.7 99.3 33.4 518 518 A N T 3 S+ 0 0 12 1,-0.3 -1,-0.1 -447,-0.1 694,-0.1 0.660 130.9 56.0 -71.9 -8.5 -24.5 99.0 32.3 519 519 A D T > S- 0 0 3 -448,-0.1 3,-1.5 -450,-0.1 -1,-0.3 0.434 99.0-142.5 -93.4 -6.3 -24.4 102.6 31.2 520 520 A Q T < - 0 0 29 -3,-1.9 -4,-0.1 1,-0.3 -2,-0.1 0.851 62.4 -49.4 47.5 56.9 -21.4 102.0 28.8 521 521 A G T 3> S+ 0 0 15 1,-0.1 4,-2.5 4,-0.1 5,-0.4 0.573 91.3 139.6 77.3 6.7 -19.4 105.3 29.2 522 522 A K T <4 S+ 0 0 7 -3,-1.5 -141,-0.1 1,-0.2 -2,-0.1 0.803 89.1 10.6 -64.2 -34.1 -22.4 107.6 28.7 523 523 A T T 4 S+ 0 0 3 -454,-0.1 4,-0.4 -270,-0.1 -1,-0.2 0.575 137.0 45.7-109.8 -14.9 -21.2 110.0 31.5 524 524 A S T > S+ 0 0 0 2,-0.1 4,-1.7 3,-0.1 -2,-0.2 0.602 91.2 77.0-105.8 -15.6 -17.7 108.6 32.1 525 525 A G H X S+ 0 0 20 -4,-2.5 4,-1.5 2,-0.2 -3,-0.1 0.971 105.2 29.4 -70.4 -52.5 -16.2 108.1 28.6 526 526 A V H > S+ 0 0 20 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.899 116.0 60.8 -78.3 -37.2 -15.3 111.6 27.6 527 527 A A H > S+ 0 0 5 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.885 106.2 49.4 -46.4 -40.9 -14.7 112.6 31.2 528 528 A A H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.862 107.2 52.9 -73.0 -39.9 -12.0 109.9 31.2 529 529 A I H X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.911 108.4 51.3 -60.0 -40.4 -10.4 111.2 28.0 530 530 A G H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.861 111.7 47.4 -64.2 -39.6 -10.2 114.6 29.6 531 531 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.917 110.1 51.2 -71.6 -45.5 -8.5 113.1 32.6 532 532 A I H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 6,-0.2 0.918 111.4 49.8 -54.6 -47.8 -6.0 111.0 30.5 533 533 A A H X>S+ 0 0 4 -4,-2.6 5,-3.1 2,-0.2 4,-0.6 0.910 113.0 44.8 -58.7 -48.7 -5.1 114.2 28.6 534 534 A A H ><5S+ 0 0 32 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.912 115.6 47.0 -63.2 -46.2 -4.5 116.3 31.8 535 535 A V H 3<5S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.764 119.2 39.3 -67.9 -32.9 -2.5 113.5 33.5 536 536 A L H 3<5S- 0 0 58 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.433 110.6-118.7 -97.1 -1.4 -0.3 112.8 30.4 537 537 A G T <<5 + 0 0 60 -4,-0.6 2,-0.4 -3,-0.6 -3,-0.2 0.870 57.7 157.0 63.2 36.9 -0.0 116.4 29.5 538 538 A I < - 0 0 51 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.776 28.6-164.2 -94.3 142.4 -1.7 115.9 26.1 539 539 A E S S+ 0 0 183 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.823 72.3 56.2 -91.0 -42.5 -3.3 119.0 24.6 540 540 A N >> - 0 0 69 1,-0.2 3,-2.7 -7,-0.1 4,-0.7 -0.862 64.0-158.3-103.3 104.0 -5.6 117.7 21.8 541 541 A P H >> S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.798 92.4 68.1 -50.7 -27.0 -8.2 115.2 23.2 542 542 A A H 34 S+ 0 0 44 1,-0.3 4,-0.1 2,-0.2 -148,-0.1 0.754 89.9 62.5 -63.5 -24.1 -8.5 113.8 19.6 543 543 A Q H <4 S+ 0 0 132 -3,-2.7 -1,-0.3 1,-0.2 -4,-0.0 0.835 108.3 41.7 -65.8 -36.6 -4.9 112.6 20.0 544 544 A I H << S- 0 0 24 -3,-1.0 -39,-0.5 -4,-0.7 -2,-0.2 0.927 99.4-174.1 -72.3 -47.2 -6.3 110.4 22.8 545 545 A G < - 0 0 18 -4,-2.3 2,-0.2 -41,-0.1 -2,-0.1 0.061 23.8 -70.8 75.5 174.3 -9.5 109.4 20.9 546 546 A T - 0 0 42 -4,-0.1 2,-0.1 1,-0.1 -40,-0.1 -0.577 41.1-110.2 -94.9 158.9 -12.5 107.4 22.0 547 547 A T - 0 0 29 -2,-0.2 -1,-0.1 1,-0.1 -41,-0.0 -0.432 58.1 -70.5 -74.2 161.6 -12.9 103.7 22.6 548 548 A T - 0 0 64 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.240 42.2-134.9 -54.9 138.4 -15.0 101.7 20.2 549 549 A F - 0 0 44 -161,-0.2 2,-0.3 -3,-0.1 -158,-0.2 -0.893 31.6-176.3 -93.3 124.9 -18.8 102.3 20.1 550 550 A R - 0 0 42 -2,-0.6 733,-0.1 2,-0.1 -161,-0.1 -0.933 22.2 -78.8-124.0 148.7 -20.6 98.9 20.0 551 551 A A S S+ 0 0 6 -2,-0.3 731,-2.3 -162,-0.1 -345,-0.1 -0.446 93.4 66.0 -71.6 153.1 -24.2 97.8 19.8 552 552 A P - 0 0 5 0, 0.0 -346,-0.2 0, 0.0 -2,-0.1 0.510 60.1-160.9 -83.2 145.7 -26.5 97.7 21.7 553 553 A Y S S+ 0 0 20 -348,-1.4 -348,-0.1 1,-0.1 -3,-0.1 0.886 87.0 4.7 -46.6 -52.2 -26.9 101.4 22.4 554 554 A T S S- 0 0 11 -351,-0.1 -1,-0.1 725,-0.0 -35,-0.1 -0.896 108.3 -77.6-132.6 156.5 -28.8 100.5 25.7 555 555 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 725,-0.2 -0.231 39.0-157.1 -68.1 152.2 -29.2 96.9 26.9 556 556 A V E -B 1279 0P 2 723,-1.5 723,-3.0 -351,-0.0 5,-0.0 -0.990 23.0-113.4-128.4 131.2 -31.7 94.4 25.4 557 557 A S E > -B 1278 0P 1 -2,-0.4 4,-1.6 721,-0.3 721,-0.3 -0.178 22.0-126.9 -64.0 143.0 -33.1 91.3 27.3 558 558 A F H > S+ 0 0 0 719,-2.5 4,-1.5 716,-0.6 718,-0.2 0.840 108.2 55.8 -56.0 -39.8 -32.0 87.9 25.8 559 559 A A H > S+ 0 0 0 716,-2.5 4,-1.3 718,-0.3 -1,-0.2 0.865 104.5 53.7 -69.0 -35.4 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26.2 1084 125 B A H X S+ 0 0 8 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.846 109.2 56.3 -64.7 -37.9 -9.7 58.7 24.0 1085 126 B N H ><>S+ 0 0 1 -4,-2.4 5,-2.4 -5,-0.2 3,-1.2 0.942 105.5 51.0 -55.5 -51.3 -9.1 61.5 26.5 1086 127 B K H ><5S+ 0 0 108 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.928 112.3 45.5 -59.4 -41.9 -8.6 59.0 29.3 1087 128 B F H 3<5S+ 0 0 25 -4,-1.8 -186,-2.2 1,-0.2 -1,-0.3 0.573 112.3 54.1 -74.0 -11.0 -6.0 57.1 27.3 1088 129 B N T <<5S- 0 0 16 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.211 120.7-102.5-107.2 10.9 -4.4 60.4 26.4 1089 130 B G T < 5S+ 0 0 34 -3,-1.2 2,-0.5 -190,-0.3 -3,-0.2 0.614 80.4 121.8 82.0 11.2 -3.9 61.7 30.0 1090 131 B V < - 0 0 4 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.917 66.1-114.3-112.2 137.5 -6.8 64.2 30.3 1091 132 B D + 0 0 43 -2,-0.5 2,-0.3 -5,-0.0 34,-0.2 -0.487 47.7 161.4 -60.7 118.7 -9.6 64.0 32.9 1092 133 B A - 0 0 9 -2,-0.3 2,-0.3 31,-0.1 31,-0.2 -0.994 17.7-175.2-146.3 144.0 -13.0 63.3 31.2 1093 134 B E E -E 1122 0P 85 29,-1.6 29,-1.8 -2,-0.3 2,-0.5 -0.986 20.8-138.7-136.4 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