==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-09 2WLR . COMPND 2 MOLECULE: PUTATIVE THIOSULFATE SULFURTRANSFERASE YNJE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.P.DECLERCQ,A.SMEETS,M.DEPUYDT,J.F.COLLET . 408 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 1 4 2 0 1 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 4 A A 0 0 107 0, 0.0 3,-0.1 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 -7.2 17.0 3.2 11.2 2 5 A E - 0 0 178 1,-0.1 98,-0.2 87,-0.0 2,-0.1 -0.243 360.0 -87.7 -68.4 162.3 20.6 2.3 12.0 3 6 A L - 0 0 64 1,-0.1 98,-0.2 96,-0.1 -1,-0.1 -0.403 41.4-115.7 -67.1 144.8 23.6 4.4 10.8 4 7 A A - 0 0 41 96,-3.0 98,-0.4 1,-0.2 -1,-0.1 0.043 64.1 -48.3 -62.6-173.9 25.1 3.6 7.3 5 8 A K S S- 0 0 118 96,-0.1 -1,-0.2 1,-0.1 96,-0.0 -0.386 70.3-104.2 -69.4 136.6 28.7 2.3 7.3 6 9 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 97,-0.2 -0.227 37.4-157.5 -60.1 148.5 31.1 4.5 9.4 7 10 A L B -a 103 0A 0 95,-2.3 97,-2.3 -3,-0.1 98,-0.4 -0.981 10.8-137.1-129.1 138.5 33.4 6.8 7.5 8 11 A T > - 0 0 42 -2,-0.4 4,-2.9 95,-0.2 5,-0.2 -0.477 37.9-104.1 -79.0 166.2 36.8 8.4 8.4 9 12 A L H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 123.4 51.7 -57.9 -43.9 37.2 12.1 7.5 10 13 A D H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 111.5 47.2 -61.3 -42.5 39.5 11.1 4.6 11 14 A Q H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.920 110.7 52.2 -61.4 -45.2 36.8 8.7 3.3 12 15 A L H <>S+ 0 0 3 -4,-2.9 5,-2.8 1,-0.2 3,-0.3 0.911 111.3 46.9 -57.2 -44.6 34.2 11.3 3.7 13 16 A Q H ><5S+ 0 0 88 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.893 109.5 52.3 -65.0 -41.7 36.2 13.9 1.7 14 17 A Q H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 112.2 48.0 -71.1 -16.1 37.0 11.4 -1.1 15 18 A Q T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.234 114.7-115.9-105.8 9.9 33.2 10.7 -1.3 16 19 A N T < 5 + 0 0 108 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.876 64.6 149.9 57.5 43.3 32.2 14.4 -1.3 17 20 A G < - 0 0 17 -5,-2.8 2,-0.4 -6,-0.1 59,-0.2 -0.334 41.4-124.9 -97.3 178.8 30.4 14.1 2.0 18 21 A K E -b 76 0B 48 57,-2.0 59,-2.4 -2,-0.1 2,-0.3 -0.981 12.2-138.5-129.7 138.8 29.7 16.5 4.8 19 22 A A E -b 77 0B 3 -2,-0.4 27,-2.9 24,-0.3 2,-0.5 -0.768 13.2-157.1 -92.8 145.0 30.4 16.2 8.5 20 23 A I E -bc 78 46B 0 57,-2.5 59,-2.0 -2,-0.3 2,-0.6 -0.980 5.6-151.1-129.4 117.4 27.9 17.4 11.1 21 24 A D E -bc 79 47B 0 25,-3.4 27,-2.4 -2,-0.5 59,-0.2 -0.800 7.9-169.0 -87.2 114.5 29.0 18.3 14.6 22 25 A T + 0 0 0 57,-2.5 28,-2.1 -2,-0.6 29,-0.3 0.357 52.2 103.0 -91.7 7.0 26.0 17.6 17.0 23 26 A R S S- 0 0 4 26,-0.2 5,-0.1 56,-0.2 25,-0.1 -0.378 86.3 -79.9 -83.1 164.7 27.5 19.4 20.0 24 27 A P >> - 0 0 46 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.219 48.1-106.7 -58.3 156.5 26.5 22.8 21.3 25 28 A S H 3> S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.767 113.4 70.6 -63.7 -26.4 28.0 25.7 19.3 26 29 A A H 3>>S+ 0 0 9 1,-0.2 5,-2.2 2,-0.2 4,-0.7 0.928 106.3 39.5 -54.7 -42.4 30.4 26.6 22.1 27 30 A F H X45S+ 0 0 35 -3,-1.1 13,-0.7 2,-0.2 3,-0.7 0.896 113.8 53.1 -77.7 -41.4 32.3 23.4 21.4 28 31 A Y H 3<5S+ 0 0 4 -4,-1.7 13,-0.3 1,-0.2 -2,-0.2 0.911 107.3 54.7 -53.5 -43.7 31.9 23.7 17.6 29 32 A N H 3<5S- 0 0 3 -4,-3.1 87,-2.7 -5,-0.2 -1,-0.2 0.721 133.1 -85.0 -66.1 -25.5 33.4 27.2 17.9 30 33 A G T <<5S+ 0 0 0 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.1 0.272 80.1 135.8 139.5 -14.3 36.5 26.0 19.7 31 34 A W < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 9,-0.3 -0.438 55.2-125.3 -62.7 127.1 35.9 25.7 23.5 32 35 A P - 0 0 11 0, 0.0 106,-0.1 0, 0.0 7,-0.1 -0.459 3.5-134.5 -70.8 152.0 37.4 22.4 24.6 33 36 A Q S S+ 0 0 104 5,-0.5 2,-0.3 -2,-0.1 6,-0.1 0.684 93.2 16.1 -76.8 -20.8 35.1 20.0 26.4 34 37 A T S > S- 0 0 97 4,-0.2 3,-2.4 103,-0.0 -1,-0.1 -0.951 109.4 -68.5-143.7 160.2 37.9 19.4 29.0 35 38 A L T 3 S- 0 0 75 -2,-0.3 -2,-0.1 1,-0.3 102,-0.0 -0.296 120.2 -0.2 -56.3 131.0 41.1 21.4 29.8 36 39 A N T 3 S+ 0 0 158 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.564 104.4 138.5 62.0 14.6 43.6 21.2 27.0 37 40 A G < - 0 0 16 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.0 -0.145 65.4 -52.1 -76.8 176.9 41.2 19.0 25.0 38 41 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 -5,-0.5 -0.199 55.6-150.5 -54.1 141.6 40.4 19.1 21.3 39 42 A S - 0 0 22 71,-0.3 2,-0.2 -7,-0.1 -8,-0.1 -0.936 50.1 -8.0-127.1 105.0 39.4 22.7 20.2 40 43 A G S S- 0 0 0 -13,-0.7 2,-0.2 -2,-0.5 75,-0.2 -0.639 78.9 -59.6 116.0-165.4 37.1 23.1 17.3 41 44 A H B -E 114 0C 17 73,-2.6 73,-2.9 -13,-0.3 3,-0.1 -0.707 52.8 -85.5-121.5 162.9 35.3 21.1 14.6 42 45 A E > - 0 0 0 -2,-0.2 3,-2.5 71,-0.2 71,-0.1 -0.358 67.6 -71.0 -68.6 152.8 36.3 19.0 11.7 43 46 A L T 3 S- 0 0 89 69,-0.3 -24,-0.3 1,-0.3 -1,-0.2 -0.163 115.9 -5.6 -49.6 125.6 37.1 20.7 8.4 44 47 A A T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -25,-0.1 0.506 94.9 159.8 67.5 11.0 34.0 22.1 6.7 45 48 A A < - 0 0 0 -3,-2.5 2,-0.2 -27,-0.1 -25,-0.2 -0.251 34.6-135.8 -66.0 148.4 31.7 20.6 9.3 46 49 A L E -c 20 0B 20 -27,-2.9 -25,-3.4 2,-0.0 2,-0.6 -0.645 14.7-129.5 -90.4 158.5 28.3 21.9 9.9 47 50 A N E +c 21 0B 9 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.957 34.7 160.5-113.4 120.0 26.9 22.5 13.4 48 51 A L - 0 0 0 -27,-2.4 2,-0.3 -2,-0.6 40,-0.1 -0.803 27.4-154.3-135.4 87.6 23.5 21.0 14.1 49 52 A S > - 0 0 0 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.486 15.0-140.6 -68.0 131.0 23.3 20.8 17.9 50 53 A A G > S+ 0 0 13 -28,-2.1 3,-1.3 1,-0.3 4,-0.4 0.834 102.4 66.7 -58.0 -31.8 20.9 18.1 19.2 51 54 A S G 3 S+ 0 0 57 -29,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.623 96.6 55.3 -65.0 -14.2 19.9 20.7 21.9 52 55 A W G X S+ 0 0 3 -3,-2.3 3,-2.2 1,-0.1 -1,-0.3 0.645 82.3 87.4 -87.1 -17.9 18.3 22.8 19.1 53 56 A L G X S+ 0 0 14 -3,-1.3 3,-1.7 -4,-0.5 -1,-0.1 0.805 80.7 57.9 -59.8 -36.0 16.0 20.2 17.7 54 57 A D G 3 S+ 0 0 137 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.506 110.8 47.0 -70.9 -5.8 13.1 20.8 20.1 55 58 A K G < S+ 0 0 87 -3,-2.2 2,-0.5 2,-0.1 -1,-0.3 0.120 97.1 84.9-118.3 15.4 13.1 24.4 18.7 56 59 A X < - 0 0 16 -3,-1.7 -1,-0.1 4,-0.0 -4,-0.0 -0.966 64.1-154.6-122.0 119.6 13.4 23.5 15.1 57 60 A S > - 0 0 54 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.172 36.9 -97.1 -76.3 172.2 10.2 22.8 13.1 58 61 A T H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 127.4 48.3 -53.2 -48.6 10.1 20.6 10.0 59 62 A E H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 111.0 50.4 -61.1 -44.0 10.2 23.8 7.8 60 63 A Q H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 112.9 45.2 -64.7 -40.2 13.1 25.2 9.8 61 64 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 113.1 50.7 -68.5 -39.0 15.1 21.9 9.5 62 65 A N H X S+ 0 0 69 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.912 110.5 50.3 -62.3 -43.9 14.3 21.7 5.8 63 66 A A H X S+ 0 0 24 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.903 110.6 49.3 -57.8 -43.0 15.5 25.3 5.4 64 67 A W H X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.930 109.9 50.4 -65.8 -43.8 18.7 24.5 7.2 65 68 A I H <>S+ 0 0 18 -4,-2.7 5,-1.8 1,-0.2 3,-0.4 0.953 115.2 44.1 -58.3 -46.1 19.4 21.5 5.0 66 69 A K H ><5S+ 0 0 172 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.866 109.3 55.1 -64.9 -43.5 18.8 23.6 1.9 67 70 A Q H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.7 47.4 -63.2 -26.4 20.8 26.6 3.1 68 71 A H T 3<5S- 0 0 13 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.211 109.8-119.6-103.5 11.6 23.8 24.2 3.7 69 72 A N T < 5 + 0 0 122 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.861 46.9 170.0 56.5 42.9 23.6 22.4 0.3 70 73 A L < - 0 0 15 -5,-1.8 2,-0.2 -6,-0.1 -1,-0.2 -0.753 26.9-141.7 -86.1 111.3 23.1 19.0 1.7 71 74 A K > - 0 0 104 -2,-0.8 3,-1.5 1,-0.1 -5,-0.0 -0.567 18.6-116.7 -78.2 139.5 22.2 16.7 -1.2 72 75 A T T 3 S+ 0 0 90 1,-0.3 26,-2.3 -2,-0.2 27,-0.5 0.809 110.0 26.1 -38.5 -49.1 19.5 14.1 -0.5 73 76 A D T 3 S+ 0 0 107 24,-0.2 -1,-0.3 25,-0.2 3,-0.1 0.344 91.2 114.0-108.9 5.3 21.8 11.1 -1.1 74 77 A A S < S- 0 0 12 -3,-1.5 25,-0.4 1,-0.1 -57,-0.1 -0.504 77.9 -94.3 -74.3 145.5 25.3 12.5 -0.4 75 78 A P - 0 0 12 0, 0.0 -57,-2.0 0, 0.0 2,-0.4 -0.325 39.0-169.7 -58.1 133.8 27.1 11.0 2.7 76 79 A V E -bd 18 100B 2 23,-2.5 25,-3.1 -59,-0.2 2,-0.5 -0.994 4.6-160.3-120.5 135.6 26.7 12.9 6.0 77 80 A A E -bd 19 101B 0 -59,-2.4 -57,-2.5 -2,-0.4 25,-0.3 -0.976 8.9-155.3-120.1 119.7 28.9 11.8 8.9 78 81 A L E -bd 20 102B 0 23,-2.8 25,-2.8 -2,-0.5 2,-0.3 -0.593 12.4-179.6 -92.9 149.0 27.8 12.8 12.4 79 82 A Y E +b 21 0B 5 -59,-2.0 -57,-2.5 -2,-0.2 2,-0.3 -0.975 31.4 71.3-145.4 166.3 29.9 13.2 15.5 80 83 A G S S- 0 0 28 -2,-0.3 2,-0.1 -59,-0.2 26,-0.0 -0.898 87.6 -9.7 129.7-161.5 29.5 14.1 19.1 81 84 A N > - 0 0 75 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.381 68.6-115.0 -71.8 153.1 28.0 12.2 22.1 82 85 A D H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 113.4 49.0 -58.4 -41.7 26.1 9.1 21.3 83 86 A K H > S+ 0 0 169 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 113.5 45.8 -65.2 -44.9 22.7 10.4 22.5 84 87 A D H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 111.7 52.6 -63.7 -41.0 23.0 13.7 20.5 85 88 A V H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.930 110.3 48.1 -62.8 -43.4 24.2 11.8 17.4 86 89 A D H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.904 111.1 50.6 -62.8 -42.8 21.1 9.5 17.6 87 90 A A H X S+ 0 0 36 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.928 114.2 43.2 -61.9 -48.0 18.7 12.4 18.1 88 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.923 110.9 55.9 -64.2 -43.6 20.1 14.3 15.0 89 92 A K H X S+ 0 0 20 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 107.7 50.0 -53.1 -44.5 20.2 11.0 13.0 90 93 A T H X S+ 0 0 39 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.927 112.1 45.4 -67.5 -44.9 16.5 10.5 13.6 91 94 A R H X S+ 0 0 57 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.889 113.6 50.1 -63.5 -40.1 15.5 14.0 12.6 92 95 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-0.4 0.870 108.9 52.0 -70.0 -36.5 17.7 13.9 9.5 93 96 A Q H ><5S+ 0 0 60 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.946 110.4 47.9 -59.4 -46.8 16.2 10.6 8.4 94 97 A K H 3<5S+ 0 0 167 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.777 106.8 59.0 -67.3 -25.1 12.7 12.0 8.8 95 98 A A T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.535 125.0-101.9 -77.8 -10.7 13.9 15.0 6.8 96 99 A G T < 5 + 0 0 39 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.416 68.9 146.8 110.2 -2.3 14.8 12.7 3.8 97 100 A L < - 0 0 15 -5,-2.1 -1,-0.3 1,-0.1 -24,-0.2 -0.555 26.1-168.9 -73.8 132.4 18.6 12.3 4.0 98 101 A T + 0 0 89 -26,-2.3 2,-0.3 -2,-0.3 -25,-0.2 0.494 68.2 53.0-104.1 -5.2 19.5 8.8 2.8 99 102 A H + 0 0 52 -27,-0.5 -23,-2.5 -25,-0.4 2,-0.5 -0.715 62.5 158.6-137.0 83.0 23.1 8.3 3.7 100 103 A I E +d 76 0B 7 -2,-0.3 -96,-3.0 -25,-0.2 2,-0.2 -0.944 10.5 159.3-116.5 115.2 23.8 9.1 7.4 101 104 A S E -d 77 0B 0 -25,-3.1 -23,-2.8 -2,-0.5 2,-0.3 -0.670 41.4-100.8-121.0 174.5 26.9 7.6 9.1 102 105 A I E -d 78 0B 53 -98,-0.4 -95,-2.3 -25,-0.3 2,-1.0 -0.793 31.9-122.5 -92.9 143.9 29.1 8.2 12.1 103 106 A L B > -a 7 0A 4 -25,-2.8 3,-1.4 -2,-0.3 -95,-0.2 -0.827 30.0-161.4 -85.1 103.1 32.4 10.0 11.5 104 107 A S T 3 S+ 0 0 69 -97,-2.3 -96,-0.2 -2,-1.0 -1,-0.2 0.836 81.9 37.3 -66.8 -34.7 34.6 7.3 13.0 105 108 A D T > S+ 0 0 37 -98,-0.4 3,-2.0 -3,-0.1 4,-0.3 0.162 82.4 152.0-102.3 16.9 37.7 9.3 13.6 106 109 A A T < S- 0 0 23 -3,-1.4 -26,-0.1 1,-0.3 -65,-0.0 -0.239 73.1 -2.3 -54.8 131.4 36.0 12.5 14.7 107 110 A L T 3 S+ 0 0 35 2,-0.2 -1,-0.3 1,-0.1 6,-0.1 0.453 98.1 114.6 66.9 6.7 38.0 14.6 17.2 108 111 A S S < S+ 0 0 65 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.581 73.9 49.6 -82.2 -12.7 40.9 12.0 17.3 109 112 A E > - 0 0 102 -4,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.793 67.1-175.5-123.1 85.6 43.4 14.4 15.6 110 113 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -71,-0.3 0.812 78.3 66.5 -53.9 -29.4 43.2 17.7 17.6 111 114 A S G 3 S+ 0 0 111 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.732 96.0 53.9 -66.2 -19.5 45.6 19.3 15.1 112 115 A R G < S+ 0 0 61 -3,-2.0 -69,-0.3 2,-0.1 -1,-0.2 0.437 84.7 114.4 -97.2 1.5 43.2 19.1 12.2 113 116 A L < - 0 0 18 -3,-1.3 2,-0.4 -4,-0.3 -71,-0.2 -0.401 55.6-141.6 -78.3 152.7 40.3 20.9 13.9 114 117 A Q B +E 41 0C 83 -73,-2.9 -73,-2.6 -86,-0.1 2,-0.3 -0.885 25.1 168.6-112.8 141.2 39.0 24.3 12.9 115 118 A K - 0 0 117 -2,-0.4 -85,-0.2 -75,-0.2 -86,-0.1 -0.928 44.3 -79.3-142.2 166.3 37.9 27.1 15.3 116 119 A L > - 0 0 6 -87,-2.7 3,-1.7 -2,-0.3 4,-0.2 -0.570 45.4-124.5 -60.6 130.4 36.9 30.7 15.5 117 120 A P T 3 S+ 0 0 73 0, 0.0 261,-0.2 0, 0.0 -1,-0.1 0.846 108.7 20.6 -47.9 -38.3 40.1 32.6 15.6 118 121 A H T > S+ 0 0 76 259,-2.4 3,-2.1 1,-0.1 4,-0.2 -0.311 73.9 149.4-130.8 55.0 38.9 34.2 18.9 119 122 A F G X + 0 0 20 -3,-1.7 3,-2.2 1,-0.3 -1,-0.1 0.774 65.1 74.0 -52.2 -31.2 36.3 31.8 20.2 120 123 A E G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.636 83.5 67.5 -66.3 -12.5 37.3 32.8 23.8 121 124 A Q G < S+ 0 0 18 -3,-2.1 109,-2.6 1,-0.2 2,-0.6 0.616 95.2 59.1 -76.3 -17.0 35.5 36.1 23.3 122 125 A L E < S-f 230 0D 4 -3,-2.2 -1,-0.2 -4,-0.2 109,-0.2 -0.833 80.6-173.8-116.4 88.4 32.2 34.4 23.2 123 126 A V E -f 231 0D 0 107,-2.0 109,-2.7 -2,-0.6 -2,-0.1 -0.210 11.7-141.8 -82.5 173.6 31.8 32.5 26.4 124 127 A Y > - 0 0 42 107,-0.2 4,-1.8 1,-0.1 3,-0.4 -0.864 29.0 -97.3-135.4 164.8 29.2 30.1 27.6 125 128 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 115.8 49.1 -59.5 -50.2 27.4 29.5 30.9 126 129 A Q H > S+ 0 0 83 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.889 110.1 54.2 -56.0 -37.0 29.4 26.6 32.4 127 130 A W H > S+ 0 0 6 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.945 110.9 44.8 -62.1 -47.0 32.6 28.4 31.7 128 131 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.889 112.8 50.8 -68.0 -39.9 31.5 31.4 33.6 129 132 A H H X S+ 0 0 32 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.959 111.3 48.2 -61.1 -49.0 30.2 29.4 36.4 130 133 A D H <>S+ 0 0 37 -4,-3.0 5,-2.4 -5,-0.2 4,-0.3 0.910 110.9 51.6 -58.0 -43.5 33.5 27.5 36.7 131 134 A L H ><5S+ 0 0 6 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.950 110.1 48.9 -55.7 -50.0 35.4 30.8 36.6 132 135 A Q H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 107.2 56.1 -61.4 -27.1 33.3 32.2 39.4 133 136 A Q T 3<5S- 0 0 122 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.410 119.6-108.3 -90.1 2.8 33.8 29.1 41.5 134 137 A G T < 5 + 0 0 68 -3,-1.8 -3,-0.2 -4,-0.3 2,-0.1 0.637 70.0 144.4 80.2 18.5 37.6 29.4 41.3 135 138 A K < - 0 0 113 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.484 58.6 -99.9 -83.7 157.0 38.2 26.5 38.9 136 139 A E + 0 0 141 -2,-0.1 2,-0.3 4,-0.0 -101,-0.1 -0.647 49.9 179.0 -70.7 129.4 40.8 26.4 36.2 137 140 A V > - 0 0 13 -2,-0.4 3,-0.8 -6,-0.0 2,-0.1 -0.925 34.4 -91.3-130.7 157.9 39.2 27.2 32.8 138 141 A T T 3 S+ 0 0 33 -2,-0.3 -103,-0.0 1,-0.2 -107,-0.0 -0.399 109.1 9.1 -60.8 141.3 40.4 27.5 29.2 139 142 A A T 3 S- 0 0 40 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.897 89.2-168.3 51.9 48.7 41.4 31.1 28.2 140 143 A K < - 0 0 127 -3,-0.8 -1,-0.1 1,-0.1 -4,-0.0 -0.324 32.5 -89.6 -63.2 143.0 41.2 32.4 31.8 141 144 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.338 33.1-126.4 -50.7 139.6 41.3 36.1 32.3 142 145 A A S S- 0 0 110 2,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.814 80.8 -34.5 -58.7 -36.1 45.0 37.3 32.8 143 146 A G S S+ 0 0 43 1,-0.4 58,-0.1 57,-0.2 2,-0.0 -0.218 114.3 21.8-149.3-118.8 44.1 39.0 36.0 144 147 A D - 0 0 79 56,-0.2 58,-2.8 -2,-0.1 -1,-0.4 -0.345 62.1-172.4 -66.9 146.2 41.1 40.8 37.4 145 148 A W E -g 202 0D 82 56,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.982 13.1-163.3-141.7 153.7 37.6 40.2 35.9 146 149 A K E -g 203 0D 54 56,-2.4 58,-3.0 -2,-0.3 2,-0.4 -0.988 9.6-150.9-132.4 143.1 34.1 41.6 36.1 147 150 A V E -g 204 0D 4 18,-0.5 20,-2.7 -2,-0.4 2,-0.4 -0.962 24.3-177.3-111.8 130.7 30.8 40.1 35.0 148 151 A I E -gh 205 167D 0 56,-2.7 58,-2.2 -2,-0.4 2,-0.4 -0.989 23.0-145.4-139.6 127.7 28.2 42.7 34.0 149 152 A E E -gh 206 168D 3 18,-2.6 20,-2.9 -2,-0.4 2,-0.4 -0.746 21.8-159.2 -85.9 131.5 24.6 42.6 32.9 150 153 A A E + h 0 169D 1 56,-2.7 58,-0.5 -2,-0.4 59,-0.4 -0.949 24.7 140.0-115.6 135.5 23.7 45.4 30.4 151 154 A A E - h 0 170D 25 18,-1.8 20,-2.2 -2,-0.4 2,-0.3 -0.969 53.7 -81.6-160.1 166.5 20.2 46.7 29.7 152 155 A W S S- 0 0 156 -2,-0.3 18,-0.1 18,-0.2 60,-0.0 -0.606 89.4 -10.5 -74.9 129.6 18.3 49.9 29.0 153 156 A G S S- 0 0 7 -2,-0.3 -2,-0.2 2,-0.1 18,-0.1 -0.158 107.8 -18.3 84.4-172.3 17.4 51.9 32.1 154 157 A A S S- 0 0 64 1,-0.2 15,-0.0 16,-0.1 -2,-0.0 -0.334 92.5 -72.2 -66.4 155.3 17.5 51.1 35.8 155 158 A P + 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.219 65.3 152.8 -53.4 129.4 17.7 47.5 36.8 156 159 A K S >> S+ 0 0 109 -3,-0.1 3,-1.3 3,-0.0 4,-0.6 0.489 74.8 18.8-117.6 -87.4 14.4 45.7 36.1 157 160 A L H >> S+ 0 0 99 1,-0.3 4,-2.2 2,-0.2 3,-1.2 0.845 118.1 68.2 -58.6 -35.2 14.8 41.9 35.5 158 161 A Y H 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 90,-0.1 0.849 93.1 58.7 -50.5 -39.1 18.2 42.0 37.1 159 162 A L H <4 S+ 0 0 63 -3,-1.3 89,-3.0 1,-0.2 -1,-0.3 0.823 109.6 43.3 -63.9 -30.5 16.6 42.7 40.4 160 163 A I H << S- 0 0 102 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.908 134.7 -9.4 -79.2 -48.7 14.6 39.5 40.2 161 164 A S < + 0 0 21 -4,-2.2 -1,-0.3 86,-0.1 2,-0.3 -0.963 68.0 156.9-153.8 136.4 17.4 37.2 38.9 162 165 A H B -J 246 0E 2 84,-2.0 84,-2.6 -2,-0.3 3,-0.1 -0.943 50.8 -75.6-148.1 171.2 21.0 37.8 37.6 163 166 A I > - 0 0 0 -2,-0.3 3,-2.3 82,-0.2 82,-0.2 -0.488 64.1 -95.2 -70.0 135.2 24.2 35.9 37.2 164 167 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.291 109.3 12.2 -56.4 132.8 26.0 35.5 40.6 165 168 A G T 3 S+ 0 0 59 1,-0.3 -18,-0.5 -3,-0.1 2,-0.3 0.428 94.4 144.1 82.0 2.7 28.6 38.3 41.2 166 169 A A < - 0 0 2 -3,-2.3 -1,-0.3 -20,-0.1 -18,-0.3 -0.550 37.7-151.9 -81.0 136.5 27.3 40.3 38.2 167 170 A D E -h 148 0D 19 -20,-2.7 -18,-2.6 -2,-0.3 2,-0.4 -0.256 18.8-124.1 -83.3 178.1 27.2 44.1 38.2 168 171 A Y E -h 149 0D 12 -20,-0.2 2,-0.5 -2,-0.1 -18,-0.2 -1.000 18.7-168.0-132.8 133.0 24.7 46.1 36.2 169 172 A I E -h 150 0D 0 -20,-2.9 -18,-1.8 -2,-0.4 2,-0.5 -0.992 15.7-143.4-120.0 127.5 25.3 48.8 33.6 170 173 A D E > -h 151 0D 34 -2,-0.5 3,-2.6 -20,-0.2 4,-0.2 -0.747 18.8-133.5 -78.6 128.4 22.4 50.9 32.2 171 174 A T G >> S+ 0 0 0 -20,-2.2 3,-2.1 -2,-0.5 4,-1.0 0.793 103.7 72.1 -57.9 -26.4 23.1 51.6 28.5 172 175 A N G 34 S+ 0 0 59 -21,-0.3 -1,-0.3 1,-0.3 -20,-0.1 0.650 85.2 68.3 -64.2 -12.2 22.3 55.2 29.1 173 176 A E G <4 S+ 0 0 47 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.620 109.3 34.0 -74.6 -16.2 25.7 55.3 31.0 174 177 A V T <4 S+ 0 0 0 -3,-2.1 9,-1.9 -4,-0.2 2,-0.3 0.543 124.2 29.3-117.7 -7.9 27.5 54.8 27.6 175 178 A E E < +K 182 0F 6 -4,-1.0 2,-0.3 7,-0.3 7,-0.2 -0.961 64.1 171.2-148.0 158.6 25.3 56.7 25.1 176 179 A S E >> -K 181 0F 52 5,-1.9 4,-1.5 -2,-0.3 5,-0.8 -0.966 24.1 -37.2-157.4 172.2 22.9 59.7 25.1 177 180 A E T 45S+ 0 0 120 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.267 92.6 42.0 -57.9 155.9 20.8 62.2 23.4 178 181 A P T 45S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.997 134.0 3.9 -90.8 -11.8 20.6 63.9 20.9 179 182 A L T 45S- 0 0 44 -3,-0.4 -2,-0.2 2,-0.1 213,-0.1 0.440 90.6-115.2-112.4 -1.3 21.9 61.3 18.4 180 183 A W T <5 + 0 0 44 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.892 67.6 144.6 55.6 41.1 22.3 58.2 20.6 181 184 A N E < -K 176 0F 40 -5,-0.8 -5,-1.9 1,-0.2 -1,-0.2 -0.615 60.3 -77.9 -92.6 162.3 26.0 58.2 20.0 182 185 A K E -K 175 0F 48 -7,-0.2 -7,-0.3 -2,-0.2 -1,-0.2 -0.219 53.2-103.8 -56.7 148.7 28.4 57.2 22.7 183 186 A V - 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