==== 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 TRANSFERASE 24-MAY-05 2CTZ . COMPND 2 MOLECULE: O-ACETYL-L-HOMOSERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.IMAGAWA,Y.KOUSUMI,H.TSUGE,H.UTSUNOMIYA,A.EBIHARA,N.NAKAGAW . 842 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 2 0.2 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 . 44 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 4.0 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 4 4 2 4 8 0 2 6 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 6 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 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 1 A M 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 44.1 88.7 79.2 163.6 2 2 A R >> + 0 0 146 3,-0.0 4,-3.1 0, 0.0 3,-1.7 0.203 360.0 96.5 165.1 -33.0 88.9 79.8 159.6 3 3 A F H 3> S+ 0 0 20 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.940 87.1 57.7 -45.0 -49.3 87.6 76.7 157.7 4 4 A E H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.768 111.3 40.6 -55.3 -23.8 84.3 78.5 157.5 5 5 A T H X> S+ 0 0 70 -3,-1.7 3,-1.3 2,-0.1 4,-1.1 0.879 110.6 55.0 -99.3 -35.3 85.9 81.3 155.7 6 6 A L H >X S+ 0 0 30 -4,-3.1 4,-2.0 1,-0.2 3,-0.8 0.910 100.7 60.9 -49.7 -45.0 88.2 79.3 153.4 7 7 A Q H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 280,-0.2 0.578 113.7 37.2 -70.9 -7.0 85.2 77.3 152.1 8 8 A L H <4 S+ 0 0 77 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.550 133.5 15.7-108.6 -19.0 83.7 80.6 150.8 9 9 A H H X< S+ 0 0 91 -4,-1.1 3,-1.5 -3,-0.8 -3,-0.2 0.661 82.6 112.1-132.5 -32.4 86.8 82.5 149.6 10 10 A A T 3< S+ 0 0 17 -4,-2.0 56,-0.2 -5,-0.3 60,-0.0 -0.308 85.5 17.6 -58.7 138.8 90.0 80.5 149.2 11 11 A G T 3 S+ 0 0 31 54,-0.2 2,-0.3 55,-0.1 -1,-0.2 0.353 111.1 73.3 94.5 -6.4 91.2 80.2 145.5 12 12 A Y < + 0 0 22 -3,-1.5 11,-0.0 53,-0.1 -1,-0.0 -0.947 43.8 179.6-146.6 126.3 89.2 83.0 143.9 13 13 A E - 0 0 146 -2,-0.3 6,-0.1 -3,-0.0 8,-0.0 -0.934 59.2 -78.1-111.9 142.8 89.4 86.9 143.9 14 14 A P - 0 0 17 0, 0.0 7,-0.1 0, 0.0 5,-0.1 -0.169 58.5-100.9 -47.2 123.5 86.7 88.6 141.7 15 15 A E >> - 0 0 5 5,-0.4 4,-2.6 1,-0.1 3,-0.7 -0.197 29.4-130.7 -47.4 125.3 87.8 88.3 138.1 16 16 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.828 97.6 56.5 -57.5 -31.6 89.3 91.7 137.2 17 17 A T T 34 S+ 0 0 57 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.876 128.9 8.7 -69.1 -38.9 87.4 92.2 133.9 18 18 A T T <4 S- 0 0 5 -3,-0.7 456,-0.2 455,-0.1 -1,-0.2 0.477 87.7-133.7-120.9 -17.2 83.8 91.9 135.2 19 19 A L < - 0 0 44 -4,-2.6 435,-3.4 1,-0.2 -2,-0.0 0.715 36.4-174.7 56.1 25.6 84.4 91.9 138.9 20 20 A S B -A 453 0A 0 -5,-0.3 -5,-0.4 433,-0.3 433,-0.3 -0.170 23.1-153.4 -42.9 128.4 82.0 89.0 139.2 21 21 A R S S+ 0 0 88 431,-2.1 2,-0.1 -7,-0.1 -1,-0.1 0.905 81.4 59.3 -79.3 -41.1 81.3 88.0 142.9 22 22 A Q S S- 0 0 44 430,-0.5 428,-0.1 1,-0.1 0, 0.0 -0.475 102.6 -98.9 -79.6 157.6 80.5 84.4 141.9 23 23 A V - 0 0 7 -2,-0.1 -2,-0.1 426,-0.1 -1,-0.1 -0.688 41.4-124.5 -78.3 127.6 83.1 82.3 140.2 24 24 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 424,-0.2 -0.340 11.9-126.5 -68.8 157.6 82.5 82.2 136.4 25 25 A I B -B 447 0B 0 422,-2.4 422,-2.7 2,-0.0 250,-0.1 -0.901 17.7-159.7 -99.6 129.9 82.1 78.9 134.4 26 26 A Y - 0 0 8 -2,-0.4 2,-2.5 420,-0.2 33,-0.2 -0.862 8.2-175.4-112.5 82.4 84.5 78.8 131.4 27 27 A P + 0 0 18 0, 0.0 2,-0.4 0, 0.0 418,-0.1 -0.583 40.1 132.3 -80.9 74.7 83.0 76.2 129.2 28 28 A T - 0 0 21 -2,-2.5 -2,-0.1 1,-0.1 3,-0.1 -0.966 54.4-161.1-132.7 151.9 85.9 76.4 126.9 29 29 A T S S+ 0 0 96 -2,-0.4 2,-0.3 1,-0.1 25,-0.2 0.679 79.8 17.3 -98.4 -23.8 88.2 74.0 125.2 30 30 A S - 0 0 39 23,-0.1 413,-2.1 24,-0.1 414,-0.5 -0.896 57.4-138.9-151.3 172.1 90.9 76.6 124.6 31 31 A Y B -C 442 0C 21 -2,-0.3 411,-0.3 411,-0.3 410,-0.1 -0.972 33.1-113.2-137.4 134.9 92.5 79.9 125.3 32 32 A V - 0 0 60 409,-3.3 2,-0.7 -2,-0.3 3,-0.1 -0.424 38.2-111.2 -67.1 142.9 93.9 82.3 122.8 33 33 A F - 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.743 13.0-145.7 -82.6 121.9 97.7 82.7 123.2 34 34 A K S S- 0 0 157 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.0 0.809 78.6 -27.9 -43.4 -41.4 98.8 86.1 124.4 35 35 A S > - 0 0 33 -3,-0.1 4,-2.5 1,-0.0 5,-0.1 -0.943 68.7 -95.7-169.4 163.4 102.0 85.9 122.2 36 36 A P H > S+ 0 0 100 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.841 122.8 57.2 -64.0 -27.7 104.2 83.1 120.7 37 37 A E H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.922 107.5 46.2 -65.6 -45.5 106.6 83.5 123.7 38 38 A H H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.6 51.2 -63.4 -40.4 103.8 82.8 126.2 39 39 A A H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.941 108.5 51.1 -63.6 -45.7 102.8 79.9 124.0 40 40 A A H X S+ 0 0 60 -4,-3.0 4,-1.5 1,-0.2 6,-0.2 0.960 111.2 49.9 -48.1 -53.5 106.4 78.5 124.0 41 41 A N H <>S+ 0 0 45 -4,-2.8 5,-2.5 1,-0.2 6,-0.5 0.852 105.7 55.0 -54.6 -40.7 106.5 78.9 127.8 42 42 A L H ><5S+ 0 0 35 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.901 111.0 44.3 -60.8 -45.3 103.2 77.0 128.3 43 43 A F H 3<5S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.689 114.8 49.6 -74.9 -21.6 104.4 73.9 126.4 44 44 A A T 3<5S- 0 0 44 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.266 111.8-117.9 -92.5 -1.6 107.8 74.1 128.2 45 45 A L T X 5S+ 0 0 17 -3,-1.0 3,-0.7 -4,-0.3 -3,-0.2 0.673 73.3 135.4 71.6 14.4 106.2 74.3 131.7 46 46 A K T 3 < + 0 0 155 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.809 69.5 31.2 -72.8 -34.3 107.8 77.7 132.1 47 47 A E T >> S+ 0 0 43 -6,-0.5 3,-1.6 1,-0.2 4,-0.9 -0.272 81.6 177.7-120.0 65.0 105.0 79.8 133.5 48 48 A F G X4 + 0 0 65 -3,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.657 66.2 25.7 -38.3 -73.5 103.2 77.1 135.4 49 49 A G G 34 S+ 0 0 36 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.619 114.9 64.3 -70.4 -9.9 100.1 78.5 137.3 50 50 A N G <4 S+ 0 0 116 -3,-1.6 2,-0.5 1,-0.1 -1,-0.2 0.706 86.4 64.1 -90.3 -32.8 99.5 81.6 135.0 51 51 A I S << S- 0 0 29 -4,-0.9 2,-0.1 -3,-0.5 389,-0.1 -0.887 72.7-140.7-105.3 126.4 98.5 80.3 131.5 52 52 A Y + 0 0 40 -2,-0.5 2,-0.3 388,-0.2 -21,-0.2 -0.464 29.0 155.8 -86.4 156.9 95.4 78.3 131.1 53 53 A S B > -D 56 0D 21 3,-1.5 3,-2.2 -2,-0.1 -23,-0.1 -0.933 61.4 -70.7-164.4 172.9 94.9 75.3 128.9 54 54 A R T 3 S+ 0 0 193 1,-0.3 3,-0.2 -2,-0.3 -24,-0.1 0.590 132.5 46.2 -48.8 -19.9 92.8 72.1 128.3 55 55 A I T 3 S+ 0 0 32 1,-0.2 -1,-0.3 216,-0.1 2,-0.3 0.336 115.5 43.0-112.5 -1.9 94.6 70.7 131.5 56 56 A M B < S-D 53 0D 12 -3,-2.2 -3,-1.5 215,-0.0 -1,-0.2 -0.800 72.2-176.0-135.8 99.7 94.2 73.7 133.7 57 57 A N > - 0 0 19 -2,-0.3 4,-3.0 -3,-0.2 5,-0.2 -0.793 27.5-132.3 -93.3 144.4 90.7 75.2 133.5 58 58 A P H > S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.827 107.0 49.7 -69.3 -23.6 90.1 78.4 135.5 59 59 A T H > S+ 0 0 0 2,-0.2 4,-1.0 -33,-0.2 3,-0.1 0.934 115.4 44.3 -74.0 -37.3 86.8 77.3 137.1 60 60 A V H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.884 105.5 63.0 -73.4 -35.7 88.5 74.0 138.0 61 61 A D H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.3 5,-0.3 0.918 100.9 52.3 -56.2 -40.4 91.6 75.9 139.3 62 62 A V H X S+ 0 0 8 -4,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.890 108.5 49.7 -63.2 -40.4 89.4 77.6 141.9 63 63 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.2 -1,-0.2 0.926 112.3 49.2 -64.2 -42.2 88.1 74.2 143.2 64 64 A E H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.977 112.2 44.8 -63.5 -57.0 91.6 72.8 143.4 65 65 A K H X S+ 0 0 105 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.856 114.9 51.6 -58.3 -33.3 93.1 75.8 145.3 66 66 A R H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.941 108.9 46.8 -72.7 -46.9 90.2 75.7 147.6 67 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 6,-0.3 0.939 109.5 55.5 -56.6 -48.6 90.3 72.1 148.4 68 68 A A H X>S+ 0 0 4 -4,-2.8 5,-2.7 1,-0.2 4,-0.8 0.942 110.1 48.0 -49.0 -44.5 94.2 72.4 149.1 69 69 A A H ><5S+ 0 0 28 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.956 109.5 50.4 -65.5 -44.2 93.3 75.1 151.6 70 70 A L H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 113.6 46.7 -62.4 -31.6 90.5 73.1 153.3 71 71 A E H 3<5S- 0 0 1 -4,-2.5 122,-0.3 -5,-0.2 -1,-0.3 0.474 112.6-117.2 -84.9 -6.8 93.0 70.1 153.6 72 72 A G T <<5S+ 0 0 52 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.655 76.0 131.5 78.8 17.1 95.9 72.3 155.0 73 73 A G < - 0 0 16 -5,-2.7 149,-0.2 -6,-0.3 -1,-0.2 -0.136 64.4-124.1 -96.9-172.4 97.7 71.2 151.8 74 74 A K S S- 0 0 111 147,-2.9 2,-0.3 1,-0.4 148,-0.2 0.793 79.1 -5.1-106.2 -31.2 99.6 73.0 149.2 75 75 A A E -E 221 0E 23 146,-1.3 146,-2.3 -7,-0.1 -1,-0.4 -0.956 57.8-162.7-156.0 159.4 98.1 72.2 145.9 76 76 A A E -E 220 0E 5 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.927 8.0-148.5-145.4 171.0 95.3 69.9 144.5 77 77 A L E -E 219 0E 0 142,-2.2 142,-2.6 -2,-0.3 2,-0.3 -0.993 15.9-142.4-149.1 129.5 94.3 68.4 141.1 78 78 A A E -E 218 0E 2 -2,-0.4 194,-0.4 140,-0.2 2,-0.3 -0.701 17.5-173.0-100.8 149.9 90.8 67.6 140.2 79 79 A T E -E 217 0E 0 138,-3.6 138,-2.6 -2,-0.3 192,-0.2 -0.911 43.2 -94.6-135.8 176.8 89.6 64.8 138.1 80 80 A A S S- 0 0 39 190,-3.0 2,-0.3 -2,-0.3 191,-0.1 0.628 101.6 -15.6 -64.7 -10.6 86.5 63.4 136.5 81 81 A S S > S- 0 0 25 189,-0.2 4,-1.8 1,-0.2 136,-0.4 -0.980 70.0 -92.1-175.9 171.7 85.8 61.2 139.6 82 82 A G H > S+ 0 0 3 134,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.939 123.9 52.2 -59.2 -47.5 87.1 59.7 142.9 83 83 A H H > S+ 0 0 84 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.961 110.9 47.9 -53.1 -49.9 88.2 56.5 141.0 84 84 A A H > S+ 0 0 14 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.820 108.1 53.2 -69.6 -27.4 90.1 58.6 138.5 85 85 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 -1,-0.3 0.963 111.9 46.2 -67.8 -47.0 91.8 60.6 141.2 86 86 A Q H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.922 115.6 46.0 -58.2 -43.0 93.0 57.3 142.8 87 87 A F H X S+ 0 0 39 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.945 113.2 49.1 -69.1 -41.6 94.1 55.8 139.5 88 88 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.886 111.8 49.5 -68.5 -29.4 95.8 59.0 138.5 89 89 A A H >X S+ 0 0 0 -4,-2.4 3,-1.5 2,-0.2 4,-1.4 0.987 115.0 41.7 -70.8 -50.0 97.6 59.2 141.8 90 90 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 -2,-0.2 0.864 113.6 53.5 -67.2 -34.9 98.9 55.6 141.8 91 91 A T H 3< S+ 0 0 30 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.580 103.9 58.4 -78.1 -7.3 99.8 55.8 138.1 92 92 A T H <4 S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.887 117.7 27.9 -89.9 -38.3 101.8 58.9 138.8 93 93 A L H < S+ 0 0 1 -4,-1.4 2,-0.3 -5,-0.1 141,-0.2 0.545 121.7 51.8 -96.8 -3.4 104.1 57.3 141.3 94 94 A A < + 0 0 3 -4,-1.7 2,-0.3 -5,-0.2 29,-0.1 -0.918 54.5 179.1-136.4 152.4 104.0 53.6 140.1 95 95 A Q > - 0 0 82 -2,-0.3 3,-2.8 27,-0.1 -3,-0.0 -0.844 52.5 -50.7-140.1 173.8 104.5 51.7 136.7 96 96 A A T 3 S+ 0 0 71 1,-0.3 27,-0.2 -2,-0.3 26,-0.2 -0.275 127.4 32.3 -51.5 132.9 104.4 48.1 135.6 97 97 A G T 3 S+ 0 0 48 25,-3.0 -1,-0.3 1,-0.4 26,-0.1 -0.113 99.2 102.9 105.0 -29.6 106.7 46.1 137.9 98 98 A D < - 0 0 6 -3,-2.8 26,-2.1 24,-0.2 -1,-0.4 -0.120 52.5-159.1 -78.3 177.5 106.0 48.2 141.0 99 99 A N E -fg 124 145E 2 45,-1.9 47,-2.9 24,-0.2 48,-0.4 -0.973 5.4-156.1-146.0 168.7 103.7 47.3 143.9 100 100 A I E -f 125 0E 0 24,-2.9 26,-3.2 -2,-0.3 2,-0.5 -0.943 16.5-130.1-140.9 160.9 101.8 49.2 146.6 101 101 A V E +fg 126 148E 0 46,-2.3 48,-2.2 -2,-0.3 2,-0.3 -0.957 30.3 177.1-117.2 136.6 100.5 48.0 150.0 102 102 A S E -fg 127 149E 0 24,-2.3 26,-1.4 -2,-0.5 48,-0.2 -0.977 36.1-111.1-137.6 144.3 97.0 48.7 151.0 103 103 A T - 0 0 0 46,-2.0 27,-0.1 -2,-0.3 26,-0.1 -0.326 30.0-138.7 -51.1 153.9 94.5 48.0 153.9 104 104 A P S S+ 0 0 34 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.337 81.3 99.3-101.5 8.5 92.0 45.6 152.5 105 105 A N + 0 0 6 24,-0.2 50,-2.0 51,-0.0 2,-0.2 -0.508 63.0 156.0 -81.4 64.3 89.1 47.5 154.2 106 106 A L - 0 0 9 -2,-1.5 48,-0.0 48,-0.2 5,-0.0 -0.654 54.1 -99.6-104.9 147.3 88.4 49.3 151.0 107 107 A Y >> - 0 0 97 -2,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.310 51.7-105.7 -50.4 139.6 85.3 51.0 149.4 108 108 A G H 3> S+ 0 0 43 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.907 117.5 47.0 -46.3 -52.0 83.8 48.4 147.0 109 109 A G H 3> S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.832 108.1 54.1 -66.6 -32.7 85.0 50.1 143.9 110 110 A T H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.863 104.0 56.5 -72.9 -26.9 88.6 50.8 145.1 111 111 A F H X S+ 0 0 82 -4,-1.8 4,-3.1 -3,-0.3 5,-0.2 0.965 110.0 44.5 -60.2 -55.3 89.1 47.0 145.8 112 112 A N H X>S+ 0 0 92 -4,-1.8 4,-2.3 1,-0.2 5,-1.3 0.881 110.1 55.0 -59.7 -35.5 88.2 46.1 142.3 113 113 A Q H <>S+ 0 0 14 -4,-1.6 5,-2.2 -5,-0.2 -1,-0.2 0.908 114.3 41.1 -65.3 -44.5 90.4 48.9 140.9 114 114 A F H <>S+ 0 0 1 -4,-2.3 5,-1.2 3,-0.2 11,-0.2 0.972 120.7 41.6 -63.0 -55.3 93.4 47.5 142.9 115 115 A K H <5S+ 0 0 105 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.663 131.3 15.8 -70.1 -28.7 92.7 43.8 142.3 116 116 A V T X5S+ 0 0 44 -4,-2.3 4,-2.1 -5,-0.2 -3,-0.2 0.711 127.9 39.7-114.9 -55.3 91.7 43.8 138.6 117 117 A T H >4XS+ 0 0 0 -5,-2.2 5,-2.1 -6,-0.2 3,-1.1 0.945 114.1 56.5 -72.4 -45.9 96.1 47.7 138.5 119 119 A K H >4 - 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0 0 34 -3,-0.1 4,-2.5 1,-0.0 5,-0.1 -0.947 67.8 -99.8-161.8 163.4 85.8 102.1 144.0 458 36 B P H > S+ 0 0 100 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.867 123.3 57.3 -61.3 -28.8 83.0 104.2 145.5 459 37 B E H > S+ 0 0 131 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.961 107.5 44.9 -63.3 -54.3 83.5 106.6 142.5 460 38 B H H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 114.0 51.6 -55.7 -41.4 82.8 103.8 140.0 461 39 B A H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.950 108.8 48.6 -63.2 -50.5 79.9 102.8 142.1 462 40 B A H X S+ 0 0 61 -4,-3.5 4,-1.5 1,-0.2 6,-0.2 0.938 112.4 52.0 -47.8 -49.0 78.5 106.4 142.2 463 41 B N H <>S+ 0 0 45 -4,-3.2 5,-2.3 1,-0.2 6,-0.8 0.871 104.4 54.1 -56.4 -43.2 78.9 106.4 138.5 464 42 B L H ><5S+ 0 0 35 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.894 110.8 45.7 -58.0 -45.6 77.0 103.2 137.9 465 43 B F H 3<5S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.684 113.9 49.2 -73.9 -20.9 74.0 104.5 139.8 466 44 B A T 3<5S- 0 0 40 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.332 111.6-119.9 -89.6 -2.8 74.1 107.8 138.0 467 45 B L T X 5S+ 0 0 15 -3,-1.0 3,-0.6 -4,-0.4 -3,-0.2 0.720 74.1 132.5 69.1 15.9 74.4 106.0 134.5 468 46 B K T 3 < + 0 0 153 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.738 68.8 39.8 -74.4 -23.1 77.7 107.8 134.1 469 47 B E T >> S+ 0 0 45 -6,-0.8 3,-1.3 1,-0.2 4,-1.0 -0.194 77.5 170.2-119.2 60.0 79.7 104.8 133.0 470 48 B F G X4 + 0 0 63 -3,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.754 67.8 26.2 -44.0 -74.6 77.1 103.0 130.7 471 49 B G G 34 S+ 0 0 37 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.708 118.0 60.1 -60.2 -18.9 78.8 100.2 128.8 472 50 B N G <4 S+ 0 0 120 -3,-1.3 2,-0.6 1,-0.1 -1,-0.2 0.604 86.3 65.0 -95.9 -25.1 81.6 99.5 131.3 473 51 B I S << S- 0 0 29 -4,-1.0 2,-0.1 -3,-0.7 -455,-0.1 -0.931 70.8-141.7-108.3 124.6 80.2 98.5 134.8 474 52 B Y + 0 0 44 -2,-0.6 2,-0.3 -456,-0.2 5,-0.2 -0.422 28.5 158.6 -80.9 157.2 78.3 95.3 135.1 475 53 B S B > -P 478 0H 18 3,-1.7 3,-2.4 -2,-0.1 -23,-0.1 -0.960 60.7 -72.0-163.8 172.8 75.2 94.8 137.3 476 54 B R T 3 S+ 0 0 160 1,-0.3 3,-0.2 -2,-0.3 -24,-0.1 0.685 133.8 44.8 -46.9 -21.9 72.0 92.8 138.1 477 55 B I T 3 S+ 0 0 29 1,-0.2 -1,-0.3 216,-0.1 2,-0.2 0.302 116.0 42.6-113.5 1.9 70.7 94.6 134.8 478 56 B M B < S-P 475 0H 11 -3,-2.4 -3,-1.7 215,-0.0 -1,-0.2 -0.761 70.9-176.9-139.7 99.8 73.7 94.2 132.5 479 57 B N > - 0 0 18 -2,-0.2 4,-3.1 -3,-0.2 5,-0.2 -0.776 28.5-131.5 -92.7 145.9 75.3 90.7 132.8 480 58 B P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.862 107.5 49.3 -69.3 -27.7 78.4 90.1 130.7 481 59 B T H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.1 0.942 114.7 45.1 -71.1 -38.9 77.2 86.8 129.2 482 60 B V H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.903 106.6 62.4 -69.5 -37.8 73.9 88.5 128.3 483 61 B D H X S+ 0 0 11 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.910 100.0 52.4 -53.4 -43.7 75.9 91.5 126.9 484 62 B V H X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.897 108.3 51.3 -58.3 -41.8 77.6 89.4 124.3 485 63 B L H X S+ 0 0 1 -4,-1.1 4,-2.9 -3,-0.3 -1,-0.2 0.912 112.0 47.5 -59.3 -44.1 74.2 88.1 123.1 486 64 B E H X S+ 0 0 6 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.983 111.8 46.2 -67.2 -56.9 72.9 91.6 122.8 487 65 B K H X S+ 0 0 105 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 115.5 50.7 -55.6 -33.3 75.8 93.2 120.9 488 66 B R H X S+ 0 0 3 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.955 108.3 47.7 -73.9 -51.2 75.7 90.2 118.7 489 67 B L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 6,-0.3 0.930 110.1 54.9 -47.6 -49.5 72.0 90.3 117.9 490 68 B A H X>S+ 0 0 3 -4,-3.1 5,-3.0 1,-0.2 4,-0.9 0.934 109.6 47.6 -54.2 -45.2 72.4 94.1 117.1 491 69 B A H ><5S+ 0 0 27 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.932 110.3 51.0 -61.9 -41.4 75.1 93.3 114.6 492 70 B L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 114.0 44.2 -67.8 -33.0 73.1 90.5 113.0 493 71 B E H 3<5S- 0 0 1 -4,-2.4 122,-0.3 -5,-0.2 -1,-0.3 0.492 112.5-117.1 -84.3 -7.9 70.1 93.0 112.6 494 72 B G T <<5S+ 0 0 52 -3,-0.9 -3,-0.2 -4,-0.9 -4,-0.1 0.692 74.8 131.8 79.8 20.5 72.3 95.9 111.4 495 73 B G < - 0 0 16 -5,-3.0 149,-0.2 -6,-0.3 -1,-0.2 -0.184 64.6-122.0 -99.6-170.2 71.2 97.7 114.4 496 74 B K S S- 0 0 115 147,-2.9 2,-0.3 1,-0.4 148,-0.2 0.833 80.2 -6.3-104.2 -36.8 73.0 99.7 117.1 497 75 B A E -Q 643 0I 23 146,-1.4 146,-2.3 -7,-0.1 -1,-0.4 -0.945 57.8-161.1-151.7 164.8 72.2 98.1 120.4 498 76 B A E -Q 642 0I 5 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.945 7.7-148.6-149.0 168.2 69.9 95.3 121.8 499 77 B L E -Q 641 0I 0 142,-2.0 142,-2.8 -2,-0.3 2,-0.3 -0.987 14.8-142.9-150.5 126.2 68.5 94.3 125.1 500 78 B A E -Q 640 0I 3 -2,-0.4 194,-0.4 140,-0.2 2,-0.3 -0.659 18.1-174.3 -94.7 146.2 67.7 90.7 126.1 501 79 B T E -Q 639 0I 0 138,-3.5 138,-2.7 -2,-0.3 192,-0.2 -0.914 43.1 -94.3-133.2 175.7 64.7 89.6 128.1 502 80 B A S S- 0 0 39 190,-3.1 2,-0.3 -2,-0.3 191,-0.1 0.646 101.6 -10.3 -62.4 -13.3 63.4 86.5 129.8 503 81 B S S > S- 0 0 26 189,-0.2 4,-1.7 135,-0.2 136,-0.4 -0.985 71.0 -96.5-171.8 164.3 61.1 85.7 126.7 504 82 B G H > S+ 0 0 4 134,-0.5 4,-2.4 -2,-0.3 3,-0.3 0.944 123.9 52.5 -55.6 -46.8 59.7 87.1 123.3 505 83 B H H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.942 109.3 49.7 -53.7 -43.7 56.5 88.1 125.2 506 84 B A H > S+ 0 0 13 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.821 108.0 52.6 -75.8 -24.0 58.6 90.0 127.8 507 85 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.3 0.923 111.0 46.7 -71.7 -46.4 60.5 91.8 125.1 508 86 B Q H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.939 116.2 46.0 -55.7 -45.0 57.2 93.0 123.4 509 87 B F H X S+ 0 0 38 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.942 113.1 48.0 -67.7 -42.9 55.8 94.0 126.7 510 88 B L H < S+ 0 0 0 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.900 113.4 49.0 -69.8 -30.4 59.0 95.8 127.8 511 89 B A H >X S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.2 4,-1.1 0.993 114.5 42.1 -69.9 -56.0 59.2 97.6 124.5 512 90 B L H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 3,-0.5 0.887 113.6 54.3 -57.7 -35.5 55.7 98.8 124.4 513 91 B T H 3< S+ 0 0 31 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.577 102.1 58.5 -82.5 -4.0 55.8 99.7 128.0 514 92 B T H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.774 118.2 28.9 -92.0 -31.6 58.9 101.9 127.5 515 93 B L H < S+ 0 0 0 -4,-1.1 141,-0.3 -3,-0.5 2,-0.3 0.717 120.9 50.9-101.8 -13.3 57.2 104.2 125.0 516 94 B A < + 0 0 2 -4,-2.3 2,-0.2 -5,-0.2 29,-0.1 -0.827 55.9 178.4-128.5 150.6 53.5 104.0 126.1 517 95 B Q > - 0 0 84 -2,-0.3 3,-2.6 27,-0.1 -3,-0.0 -0.837 52.8 -51.7-138.5 176.4 51.7 104.5 129.5 518 96 B A T 3 S+ 0 0 70 1,-0.3 27,-0.2 -2,-0.2 26,-0.2 -0.242 127.4 34.1 -54.6 133.9 48.1 104.4 130.6 519 97 B G T 3 S+ 0 0 49 25,-3.6 -1,-0.3 1,-0.5 26,-0.2 -0.041 98.9 99.9 109.4 -31.8 46.1 106.7 128.4 520 98 B D < - 0 0 7 -3,-2.6 26,-2.3 24,-0.3 -1,-0.5 -0.152 53.6-158.1 -81.2 177.3 48.2 106.0 125.2 521 99 B N E -rs 546 567I 2 45,-1.6 47,-2.3 24,-0.2 48,-0.4 -0.953 3.0-154.7-143.8 168.9 47.3 103.7 122.4 522 100 B I E -r 547 0I 0 24,-2.9 26,-3.3 -2,-0.3 2,-0.5 -0.948 16.9-126.9-140.2 162.7 49.2 101.8 119.6 523 101 B V E +rs 548 570I 0 46,-2.5 48,-2.4 -2,-0.3 2,-0.4 -0.948 31.7 177.3-116.8 130.8 48.1 100.6 116.2 524 102 B S E -rs 549 571I 0 24,-2.3 26,-1.3 -2,-0.5 48,-0.2 -0.947 35.5-113.7-131.9 143.6 48.7 97.0 115.2 525 103 B T - 0 0 0 46,-2.2 27,-0.1 -2,-0.4 26,-0.1 -0.349 28.3-138.8 -52.5 150.4 48.0 94.6 112.4 526 104 B P S S+ 0 0 21 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.366 81.1 99.5 -94.0 6.0 45.6 92.0 113.8 527 105 B N + 0 0 6 24,-0.2 50,-2.4 50,-0.1 2,-0.3 -0.508 63.4 154.9 -84.5 69.6 47.5 89.2 112.0 528 106 B L - 0 0 5 -2,-1.6 48,-0.1 48,-0.2 5,-0.0 -0.716 55.1 -97.3-111.7 144.6 49.3 88.3 115.3 529 107 B Y > - 0 0 99 -2,-0.3 4,-2.0 48,-0.1 3,-0.5 -0.231 50.7-109.2 -41.5 136.0 51.0 85.3 116.9 530 108 B G H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.935 117.8 47.5 -46.3 -49.9 48.3 83.8 119.2 531 109 B G H > S+ 0 0 20 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.823 107.8 52.4 -68.0 -32.7 50.1 85.0 122.3 532 110 B T H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.853 105.3 57.3 -74.5 -25.7 50.8 88.5 121.2 533 111 B F H X S+ 0 0 81 -4,-2.0 4,-2.8 -3,-0.3 5,-0.2 0.932 108.9 45.0 -61.5 -49.6 47.1 89.1 120.4 534 112 B N H X>S+ 0 0 91 -4,-1.6 4,-2.0 -5,-0.3 5,-1.2 0.874 109.2 55.4 -71.6 -28.7 46.1 88.2 123.8 535 113 B Q H <>S+ 0 0 16 -4,-1.3 5,-2.0 -5,-0.2 -1,-0.2 0.873 113.9 42.4 -66.6 -38.2 48.8 90.4 125.3 536 114 B F H <>S+ 0 0 1 -4,-1.9 5,-1.0 3,-0.2 11,-0.3 0.953 119.3 41.3 -70.3 -49.6 47.5 93.4 123.3 537 115 B K H <5S+ 0 0 101 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.690 130.6 16.0 -78.2 -28.2 43.8 92.8 123.9 538 116 B V T X5S+ 0 0 42 -4,-2.0 4,-2.7 -5,-0.2 -3,-0.2 0.731 127.7 38.9-115.1 -58.7 43.8 91.8 127.6 539 117 B T H >4XS+ 0 0 0 -5,-2.0 5,-1.9 -6,-0.2 3,-0.9 0.939 114.7 56.0 -73.6 -43.0 47.7 96.0 127.7 541 119 B K H >4 - 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