==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-DEC-12 4IFB . COMPND 2 MOLECULE: BILE SALT SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KIM,R.TORO,R.BHOSLE,I.COOK,T.WANG,C.N.FALANY,T.S.LEYH,S.C. . 546 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.4 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 . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 3 3 0 4 2 2 2 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 4 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S > 0 0 81 0, 0.0 3,-1.1 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 120.5 7.3 -1.3 40.2 2 3 A D T 3 + 0 0 103 1,-0.2 3,-0.0 3,-0.1 12,-0.0 0.111 360.0 78.5 -89.3 22.1 6.8 1.7 42.5 3 4 A D T 3 S+ 0 0 76 10,-0.0 11,-0.4 137,-0.0 2,-0.3 0.474 99.4 47.4 -94.8 -10.8 3.1 0.9 43.4 4 5 A F S < S- 0 0 14 -3,-1.1 2,-0.6 135,-0.2 135,-0.1 -0.896 88.1-117.3-114.5 155.4 4.5 -1.7 45.8 5 6 A L E -A 12 0A 43 7,-2.9 7,-2.9 -2,-0.3 2,-0.5 -0.881 36.1-150.8 -78.3 117.0 7.2 -1.6 48.4 6 7 A W E +A 11 0A 97 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.838 21.4 172.1 -94.4 123.4 9.8 -4.1 47.2 7 8 A F E > S-A 10 0A 18 3,-2.4 3,-2.6 -2,-0.5 -2,-0.0 -0.985 70.4 -20.2-136.8 122.1 11.8 -5.8 49.8 8 9 A E T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.833 127.3 -52.9 47.8 41.2 14.2 -8.7 49.1 9 10 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 151,-0.0 -1,-0.3 0.526 116.8 113.5 74.8 9.3 12.2 -9.4 45.8 10 11 A I E < -A 7 0A 17 -3,-2.6 -3,-2.4 150,-0.1 2,-0.4 -0.906 64.4-124.4-118.2 140.9 8.8 -9.5 47.6 11 12 A A E +Ab 6 158A 0 146,-0.6 148,-3.2 -2,-0.4 -5,-0.2 -0.649 31.1 170.4 -88.2 132.7 6.0 -7.1 47.2 12 13 A F E -A 5 0A 0 -7,-2.9 -7,-2.9 -2,-0.4 4,-0.1 -0.919 43.0 -85.4-125.2 161.4 4.4 -5.2 50.2 13 14 A P - 0 0 18 0, 0.0 4,-0.3 0, 0.0 126,-0.2 -0.303 34.4-125.3 -60.5 154.3 1.9 -2.3 50.4 14 15 A T S S+ 0 0 60 124,-2.4 2,-0.4 -11,-0.4 124,-0.1 0.433 95.6 52.7 -84.6 -4.2 3.5 1.2 50.2 15 16 A M S S+ 0 0 114 123,-0.3 3,-0.1 122,-0.1 -10,-0.1 -0.989 105.8 26.9-124.3 146.6 1.8 2.2 53.4 16 17 A G S S+ 0 0 39 -2,-0.4 64,-2.5 1,-0.2 2,-0.3 0.206 103.9 80.1 99.5 -17.4 2.0 0.3 56.7 17 18 A F - 0 0 18 -4,-0.3 2,-0.4 62,-0.2 -1,-0.2 -0.940 54.3-164.4-132.0 144.2 5.4 -1.4 56.1 18 19 A R >> - 0 0 115 60,-0.4 4,-2.3 -2,-0.3 3,-0.5 -1.000 22.6-138.6-132.5 131.4 9.0 -0.2 56.4 19 20 A S H 3> S+ 0 0 49 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.868 106.6 57.0 -60.3 -31.5 12.0 -1.9 55.0 20 21 A E H 3> S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.883 107.9 47.0 -59.3 -43.2 13.9 -1.2 58.2 21 22 A T H <> S+ 0 0 7 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.926 109.5 53.8 -68.6 -40.6 11.2 -3.1 60.2 22 23 A L H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.902 108.8 49.5 -59.2 -40.3 11.3 -6.0 57.7 23 24 A R H X S+ 0 0 115 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.935 111.3 49.5 -64.2 -41.8 15.0 -6.3 58.1 24 25 A K H X>S+ 0 0 65 -4,-2.0 4,-2.7 1,-0.2 5,-2.5 0.819 104.4 57.7 -67.9 -37.3 14.6 -6.3 61.9 25 26 A V H <5S+ 0 0 0 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.906 114.7 39.3 -52.6 -48.9 11.9 -9.0 61.8 26 27 A R H <5S+ 0 0 74 -4,-1.6 80,-2.4 79,-0.2 81,-0.4 0.976 129.9 26.7 -65.8 -51.8 14.4 -11.2 60.0 27 28 A D H <5S+ 0 0 82 -4,-3.0 -3,-0.2 78,-0.2 -2,-0.2 0.739 134.2 14.7 -89.0 -33.1 17.5 -10.3 62.0 28 29 A E T <5S+ 0 0 122 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.676 79.3 116.6-120.3 -34.3 16.5 -9.2 65.5 29 30 A F < - 0 0 8 -5,-2.5 2,-0.6 1,-0.1 78,-0.4 -0.269 58.8-137.6 -56.2 124.8 12.9 -10.0 66.3 30 31 A V - 0 0 100 77,-0.1 2,-0.5 76,-0.1 -1,-0.1 -0.790 11.5-154.2 -89.8 118.1 13.0 -12.4 69.3 31 32 A I - 0 0 8 -2,-0.6 2,-0.2 4,-0.0 81,-0.1 -0.845 13.1-143.0 -87.2 127.1 10.6 -15.4 69.1 32 33 A R > - 0 0 62 -2,-0.5 3,-2.0 1,-0.1 79,-0.1 -0.569 18.0-122.1 -93.5 154.3 9.6 -16.8 72.5 33 34 A D T 3 S+ 0 0 71 1,-0.3 81,-0.1 -2,-0.2 -1,-0.1 0.765 113.9 53.6 -63.3 -25.9 9.0 -20.5 73.2 34 35 A E T 3 S+ 0 0 108 79,-0.1 -1,-0.3 2,-0.1 79,-0.0 0.436 83.1 117.6 -86.7 -3.1 5.5 -19.7 74.3 35 36 A D < - 0 0 1 -3,-2.0 79,-2.1 57,-0.1 2,-0.5 -0.360 49.8-157.3 -66.5 143.1 4.5 -17.8 71.1 36 37 A V E -cd 94 114B 30 57,-2.2 59,-1.9 77,-0.2 2,-0.5 -0.998 17.4-167.4-118.0 122.6 1.7 -19.2 69.0 37 38 A I E -cd 95 115B 0 77,-3.1 79,-2.8 -2,-0.5 2,-0.6 -0.944 18.0-151.7-123.3 132.8 2.0 -18.1 65.3 38 39 A I E -cd 96 116B 0 57,-2.7 59,-2.5 -2,-0.5 2,-0.5 -0.846 17.0-169.0 -97.6 124.5 -0.4 -18.3 62.4 39 40 A L E +cd 97 117B 2 77,-2.8 79,-2.6 -2,-0.6 2,-0.3 -0.959 17.4 151.0-115.9 127.7 1.3 -18.4 59.0 40 41 A T E - d 0 118B 0 57,-1.9 79,-0.1 -2,-0.5 3,-0.1 -0.997 49.2-116.9-149.9 148.2 -0.6 -18.0 55.7 41 42 A Y > - 0 0 6 77,-0.6 3,-1.0 -2,-0.3 5,-0.2 -0.629 69.4 -79.2 -66.7 139.4 -0.2 -16.8 52.2 42 43 A P T 3 S+ 0 0 3 0, 0.0 87,-0.2 0, 0.0 -1,-0.1 -0.160 116.0 19.7 -53.3 141.6 -2.6 -13.8 52.1 43 44 A K T 3 S+ 0 0 25 85,-0.1 85,-0.2 -3,-0.1 86,-0.1 0.656 88.0 114.4 77.0 22.4 -6.3 -14.7 51.7 44 45 A S S < S- 0 0 1 -3,-1.0 139,-0.1 74,-0.1 77,-0.1 0.452 100.8 -76.2 -99.2 -2.6 -5.9 -18.3 52.9 45 46 A G S > S+ 0 0 14 -4,-0.1 4,-2.2 75,-0.1 5,-0.2 0.639 76.4 148.9 118.6 24.5 -8.0 -17.9 56.0 46 47 A T H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.945 75.4 46.1 -56.8 -52.9 -5.8 -16.1 58.5 47 48 A N H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.807 108.3 56.0 -65.3 -25.6 -8.6 -14.3 60.3 48 49 A W H > S+ 0 0 36 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 111.1 43.8 -71.2 -47.6 -10.7 -17.3 60.6 49 50 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.901 111.4 54.4 -66.5 -37.3 -7.9 -19.2 62.4 50 51 A A H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.927 109.7 48.4 -59.2 -41.2 -7.1 -16.1 64.5 51 52 A E H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.941 110.3 50.3 -65.1 -48.0 -10.8 -16.0 65.6 52 53 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.957 112.5 46.9 -54.9 -50.0 -10.7 -19.8 66.4 53 54 A L H X S+ 0 0 13 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 111.6 50.8 -62.8 -39.1 -7.5 -19.4 68.5 54 55 A C H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.941 110.2 49.9 -61.1 -42.1 -8.9 -16.4 70.3 55 56 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 6,-0.3 0.830 108.1 53.8 -70.1 -30.3 -12.1 -18.4 71.1 56 57 A M H ><5S+ 0 0 13 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.948 109.4 48.5 -60.0 -45.3 -10.0 -21.2 72.4 57 58 A H H 3<5S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.931 116.8 41.1 -63.0 -43.8 -8.2 -18.8 74.8 58 59 A S T ><5S- 0 0 24 -4,-2.6 3,-1.9 -5,-0.1 -1,-0.3 0.276 111.5-119.9 -91.0 10.8 -11.6 -17.3 76.0 59 60 A K T < 5S- 0 0 103 -3,-1.4 -3,-0.2 1,-0.3 153,-0.2 0.771 72.8 -50.8 59.7 28.1 -13.2 -20.8 76.1 60 61 A G T 3 + 0 0 16 1,-0.1 4,-1.6 -2,-0.1 -1,-0.1 0.401 62.0 94.6-109.4 0.1 -17.4 -13.9 72.9 63 64 A K H > S+ 0 0 158 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.920 90.7 45.6 -63.1 -43.4 -17.2 -10.6 74.9 64 65 A W H >> S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 3,-1.6 0.968 113.2 47.6 -64.4 -49.4 -13.5 -10.1 74.2 65 66 A I H 34 S+ 0 0 2 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.4 52.5 -67.0 -21.4 -13.6 -10.9 70.4 66 67 A Q H 3< S+ 0 0 105 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.579 117.2 35.7 -89.9 -9.0 -16.6 -8.7 70.1 67 68 A S H << S+ 0 0 76 -3,-1.6 -2,-0.2 -4,-0.6 -3,-0.1 0.590 109.5 59.7-121.7 -13.8 -15.0 -5.6 71.7 68 69 A V S < S- 0 0 37 -4,-2.4 -1,-0.2 -5,-0.1 5,-0.1 -0.957 88.7-111.0-113.2 133.0 -11.3 -5.8 70.6 69 70 A P >> - 0 0 28 0, 0.0 4,-1.6 0, 0.0 3,-1.6 -0.258 23.2-123.9 -62.5 144.7 -10.4 -5.7 66.9 70 71 A I H 3> S+ 0 0 1 157,-2.6 4,-2.4 1,-0.3 158,-0.1 0.850 110.4 61.3 -60.2 -31.4 -9.0 -8.9 65.5 71 72 A W H 34 S+ 0 0 126 156,-0.4 5,-0.3 1,-0.2 -1,-0.3 0.691 106.9 45.5 -70.5 -17.2 -5.8 -7.1 64.3 72 73 A E H <4 S+ 0 0 110 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.755 112.7 50.7 -87.6 -30.8 -5.1 -6.2 68.0 73 74 A R H < S+ 0 0 13 -4,-1.6 21,-0.3 1,-0.3 -2,-0.2 0.818 128.9 19.5 -77.7 -33.6 -5.8 -9.7 69.2 74 75 A S S < S- 0 0 7 -4,-2.4 -1,-0.3 -5,-0.2 21,-0.2 -0.757 90.2-154.3-134.7 85.4 -3.5 -11.3 66.7 75 76 A P - 0 0 8 0, 0.0 21,-2.8 0, 0.0 2,-0.9 -0.220 19.5-119.5 -66.1 157.0 -1.1 -8.7 65.4 76 77 A W B > -e 96 0B 78 -5,-0.3 3,-1.7 19,-0.2 6,-0.5 -0.823 27.8-153.9-100.9 101.7 0.5 -8.9 62.0 77 78 A V T 3 S+ 0 0 0 19,-2.4 -1,-0.2 -2,-0.9 20,-0.1 0.835 85.0 50.5 -59.6 -37.6 4.1 -9.1 63.0 78 79 A E T 3 S+ 0 0 0 18,-0.3 -60,-0.4 4,-0.1 -1,-0.3 0.553 93.6 91.5 -77.5 -7.3 5.8 -7.6 59.9 79 80 A S S <> S- 0 0 13 -3,-1.7 4,-3.4 1,-0.1 5,-0.2 -0.604 87.3-119.0 -85.9 151.3 3.5 -4.6 59.9 80 81 A E H > S+ 0 0 51 -64,-2.5 4,-1.8 -2,-0.2 5,-0.3 0.940 116.0 46.4 -51.5 -50.5 4.6 -1.4 61.7 81 82 A I H > S+ 0 0 110 -65,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.935 116.0 44.4 -56.9 -51.6 1.5 -1.6 64.0 82 83 A G H > S+ 0 0 3 -6,-0.5 4,-2.3 1,-0.2 -5,-0.2 0.926 109.8 56.6 -62.7 -42.6 2.0 -5.4 64.7 83 84 A Y H X S+ 0 0 24 -4,-3.4 4,-1.1 -7,-0.4 -1,-0.2 0.925 112.6 37.2 -58.8 -46.8 5.7 -5.1 65.2 84 85 A T H X S+ 0 0 76 -4,-1.8 4,-0.7 -5,-0.2 3,-0.3 0.906 113.6 55.6 -79.6 -41.3 5.6 -2.5 68.0 85 86 A A H >< S+ 0 0 43 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 0.960 108.4 51.1 -46.7 -50.6 2.5 -3.8 69.7 86 87 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.750 99.8 58.7 -67.7 -33.9 4.2 -7.3 70.0 87 88 A S H 3< S+ 0 0 66 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.691 112.6 44.6 -71.6 -11.5 7.4 -6.2 71.7 88 89 A E T << S+ 0 0 159 -3,-1.5 2,-0.4 -4,-0.7 -1,-0.2 0.185 93.8 103.1-111.0 13.1 5.2 -4.8 74.4 89 90 A T < - 0 0 50 -3,-1.3 2,-0.3 -5,-0.1 4,-0.1 -0.787 68.6-126.2-100.7 141.7 2.9 -7.8 74.7 90 91 A E - 0 0 162 -2,-0.4 -2,-0.1 2,-0.1 -3,-0.0 -0.632 45.7 -66.7 -83.3 139.4 3.2 -10.3 77.5 91 92 A S S S+ 0 0 44 -2,-0.3 -1,-0.1 1,-0.2 -56,-0.1 -0.271 109.4 59.6 -52.4 150.1 3.5 -14.0 76.8 92 93 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.401 77.9-173.9 -85.2 132.1 1.8 -16.0 75.7 93 94 A R - 0 0 7 -4,-0.1 -57,-2.2 -61,-0.0 2,-0.4 -0.623 12.8-161.5 -86.3 145.4 1.6 -14.0 72.5 94 95 A L E +c 36 0B 30 -2,-0.3 2,-0.3 -21,-0.3 -57,-0.2 -0.994 29.6 143.3-117.5 127.2 -0.7 -14.9 69.5 95 96 A F E -c 37 0B 1 -59,-1.9 -57,-2.7 -2,-0.4 2,-0.3 -0.964 32.2-135.3-153.8 176.4 0.2 -13.3 66.2 96 97 A S E -ce 38 76B 9 -21,-2.8 -19,-2.4 -2,-0.3 2,-0.3 -0.925 10.5-172.0-135.6 162.2 0.4 -13.9 62.5 97 98 A S E -c 39 0B 0 -59,-2.5 -57,-1.9 -2,-0.3 -21,-0.0 -0.987 21.0-162.6-146.3 150.4 2.6 -13.5 59.5 98 99 A H + 0 0 19 -2,-0.3 -59,-0.1 -59,-0.2 -1,-0.0 0.265 51.8 134.8-105.1 5.3 2.3 -13.9 55.7 99 100 A L - 0 0 2 -58,-0.1 5,-0.1 4,-0.1 -2,-0.1 -0.263 59.2-121.8 -60.3 130.1 6.2 -13.9 55.3 100 101 A P >> - 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.336 39.7-100.0 -61.8 158.5 7.7 -16.5 53.0 101 102 A I G >4 S+ 0 0 34 64,-0.3 3,-0.9 1,-0.3 -2,-0.1 0.792 118.8 64.0 -63.4 -27.8 10.2 -18.5 55.0 102 103 A Q G 34 S+ 0 0 95 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.711 109.6 41.7 -71.2 -14.1 13.4 -16.6 53.8 103 104 A L G <4 S+ 0 0 10 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.526 89.9 111.0-105.7 -6.2 12.1 -13.5 55.5 104 105 A F S << S- 0 0 0 -3,-0.9 -3,-0.0 -4,-0.6 -78,-0.0 -0.312 86.2 -77.6 -73.8 148.0 10.8 -15.0 58.7 105 106 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.252 32.6-144.6 -49.0 125.0 12.6 -14.2 62.1 106 107 A K G > S+ 0 0 105 -80,-2.4 3,-1.8 1,-0.3 4,-0.5 0.871 98.1 70.5 -50.7 -45.6 15.8 -16.3 62.3 107 108 A S G > S+ 0 0 37 -78,-0.4 3,-0.6 -81,-0.4 -1,-0.3 0.767 87.5 66.3 -45.9 -30.2 15.1 -16.5 66.0 108 109 A F G X S+ 0 0 2 -3,-1.8 3,-1.8 1,-0.2 -1,-0.3 0.855 87.5 64.7 -62.7 -36.5 12.2 -18.8 65.2 109 110 A F G < S+ 0 0 85 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.712 108.0 38.4 -76.2 -14.4 14.2 -21.8 63.9 110 111 A S G < S+ 0 0 114 -3,-0.6 -1,-0.3 -4,-0.5 2,-0.2 0.182 105.6 85.4-111.0 17.1 16.0 -22.6 67.1 111 112 A S S < S- 0 0 19 -3,-1.8 -79,-0.1 -4,-0.1 -78,-0.0 -0.470 78.1-125.3-104.5-179.3 13.0 -21.9 69.4 112 113 A K + 0 0 148 -2,-0.2 -79,-0.1 -81,-0.1 -80,-0.1 0.230 58.9 138.2-109.9 14.5 10.0 -24.0 70.5 113 114 A A - 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0 0 69 -3,-2.1 3,-0.6 4,-0.1 2,-0.1 -0.760 55.7-127.1-101.3 142.8 -7.4 -0.6 47.7 137 138 A K T 3 S+ 0 0 54 -2,-0.3 -122,-0.1 1,-0.2 3,-0.1 -0.346 86.1 37.5 -75.9 157.0 -4.8 2.2 48.0 138 139 A F T 3 S+ 0 0 94 1,-0.3 -124,-2.4 -124,-0.1 2,-0.3 0.495 102.2 84.7 76.0 4.6 -1.0 1.5 48.4 139 140 A I S < S- 0 0 9 -3,-0.6 2,-0.6 -126,-0.2 -1,-0.3 -0.870 92.2 -95.7-117.9 164.1 -1.1 -1.5 46.1 140 141 A K - 0 0 69 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.727 42.8-144.3 -68.8 116.3 -0.8 -1.8 42.4 141 142 A K - 0 0 84 -2,-0.6 2,-0.1 -6,-0.1 -7,-0.1 -0.711 13.0-125.7 -84.5 131.6 -4.4 -2.1 41.1 142 143 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.512 4.3-138.3 -76.0 147.3 -5.0 -4.4 38.2 143 144 A K S S- 0 0 188 1,-0.2 2,-0.3 -2,-0.1 3,-0.1 0.759 83.4 -1.0 -69.8 -23.8 -6.8 -3.0 35.0 144 145 A S S > S- 0 0 49 1,-0.1 4,-2.6 -3,-0.0 3,-0.3 -0.995 72.9-100.7-159.0 160.6 -8.8 -6.2 34.8 145 146 A W H > S+ 0 0 43 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.920 121.9 54.3 -47.4 -50.1 -9.5 -9.6 36.2 146 147 A E H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 108.3 48.5 -57.0 -41.1 -7.4 -11.1 33.4 147 148 A E H > S+ 0 0 37 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.931 110.8 49.6 -67.0 -45.0 -4.4 -8.9 34.4 148 149 A Y H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 109.0 53.7 -61.7 -37.5 -4.7 -9.8 38.1 149 150 A F H X S+ 0 0 9 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.866 109.4 48.2 -61.6 -39.6 -4.8 -13.4 37.1 150 151 A E H X S+ 0 0 79 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.946 111.4 48.9 -67.2 -49.7 -1.6 -13.0 35.2 151 152 A W H X>S+ 0 0 27 -4,-2.8 5,-1.7 1,-0.2 4,-1.1 0.907 110.7 51.4 -51.8 -46.3 0.2 -11.2 38.0 152 153 A F H ><5S+ 0 0 1 -4,-2.6 3,-0.6 1,-0.3 10,-0.4 0.909 110.0 48.1 -63.6 -45.6 -0.9 -13.9 40.5 153 154 A C H 3<5S+ 0 0 20 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.765 116.1 44.5 -64.4 -28.9 0.4 -16.7 38.2 154 155 A Q H 3<5S- 0 0 126 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.549 111.8-121.9 -90.6 -9.1 3.7 -14.8 37.8 155 156 A G T <<5 + 0 0 8 -4,-1.1 2,-1.5 -3,-0.6 -3,-0.2 0.543 69.5 135.4 77.0 10.7 3.9 -14.0 41.5 156 157 A T < + 0 0 55 -5,-1.7 2,-0.2 -6,-0.2 -4,-0.1 -0.343 48.9 97.4 -85.1 59.8 4.0 -10.2 41.0 157 158 A V S > S- 0 0 4 -2,-1.5 3,-2.4 -5,-0.2 -146,-0.6 -0.801 91.1 -55.3-132.5 169.6 1.5 -9.8 43.8 158 159 A L B 3 S+b 11 0A 9 1,-0.3 -146,-0.2 -2,-0.2 -1,-0.1 -0.280 126.9 10.1 -46.4 123.7 1.6 -8.9 47.6 159 160 A Y T 3 S- 0 0 5 -148,-3.2 -1,-0.3 -118,-0.1 -147,-0.1 0.577 113.6-105.7 71.5 17.4 3.9 -11.4 49.2 160 161 A G S < S- 0 0 5 -3,-2.4 -5,-0.2 -149,-0.1 -4,-0.1 -0.093 72.0 -0.5 73.7-164.0 5.2 -12.9 46.0 161 162 A S > - 0 0 14 -7,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.281 49.1-146.3 -71.1 139.9 4.5 -16.3 44.4 162 163 A W H > S+ 0 0 0 -10,-0.4 4,-2.3 1,-0.2 5,-0.2 0.894 102.4 56.0 -65.9 -41.8 2.1 -18.7 46.1 163 164 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 109.4 44.5 -60.4 -38.4 4.2 -21.5 44.7 164 165 A D H > S+ 0 0 102 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.857 109.9 55.4 -72.5 -37.3 7.3 -20.2 46.3 165 166 A H H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -64,-0.3 0.972 112.4 43.0 -60.5 -49.0 5.6 -19.5 49.6 166 167 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.929 114.1 49.4 -63.7 -52.0 4.4 -23.1 49.8 167 168 A H H < S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.6 53.2 -52.8 -46.5 7.8 -24.6 48.7 168 169 A G H < S+ 0 0 20 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.932 117.9 34.4 -51.9 -47.2 9.6 -22.4 51.3 169 170 A W H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.763 97.2 79.4 -91.0 -25.7 7.4 -23.6 54.1 170 171 A M G >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.758 80.9 68.2 -57.4 -31.5 6.7 -27.3 53.3 171 172 A P G 3 S+ 0 0 97 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.702 96.4 58.6 -62.3 -11.9 10.1 -28.5 54.5 172 173 A M G X S+ 0 0 26 -3,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.477 76.2 99.6 -85.8 -7.2 8.9 -27.6 58.0 173 174 A R T < S+ 0 0 69 -3,-1.8 7,-0.3 1,-0.3 -1,-0.2 0.660 79.0 48.5 -66.1 -18.8 5.9 -29.9 57.9 174 175 A E T 3 S+ 0 0 163 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.1 0.393 84.5 114.2 -99.3 2.4 7.3 -32.8 59.9 175 176 A E S X S- 0 0 100 -3,-1.9 3,-1.3 1,-0.1 -3,-0.0 -0.489 73.6-126.1 -71.2 146.3 8.7 -30.7 62.7 176 177 A K T 3 S+ 0 0 194 1,-0.3 -1,-0.1 -2,-0.1 -64,-0.0 0.801 108.4 49.5 -58.2 -33.6 7.0 -31.2 66.1 177 178 A N T 3 S+ 0 0 28 -5,-0.1 -62,-2.4 -63,-0.1 2,-0.4 0.014 97.1 82.8-103.7 27.0 6.2 -27.5 66.5 178 179 A F E < -f 115 0B 9 -3,-1.3 2,-0.6 -64,-0.2 -62,-0.2 -0.978 56.1-166.8-132.7 119.0 4.7 -27.0 63.1 179 180 A L E -f 116 0B 28 -64,-3.0 -62,-3.0 -2,-0.4 2,-0.7 -0.928 8.8-155.3-107.7 122.2 1.0 -27.9 62.2 180 181 A L E +f 117 0B 41 -2,-0.6 2,-0.3 -7,-0.3 -62,-0.2 -0.859 24.0 166.0 -94.2 117.0 0.1 -28.0 58.6 181 182 A L E -f 118 0B 2 -64,-3.1 -62,-2.7 -2,-0.7 2,-0.3 -0.912 24.0-141.9-123.0 158.3 -3.7 -27.3 58.0 182 183 A S E > -f 119 0B 6 -2,-0.3 4,-1.5 -64,-0.2 -62,-0.2 -0.889 19.0-131.7-114.4 154.6 -5.8 -26.5 54.9 183 184 A Y H > S+ 0 0 11 -64,-3.0 4,-3.0 -2,-0.3 5,-0.2 0.868 108.4 60.1 -62.6 -34.9 -8.7 -24.2 54.6 184 185 A E H > S+ 0 0 21 -65,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.938 107.3 42.4 -62.6 -46.6 -10.6 -27.0 52.8 185 186 A E H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 8,-0.3 0.841 114.0 53.5 -67.2 -31.1 -10.4 -29.4 55.8 186 187 A L H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 113.1 42.7 -74.1 -38.8 -11.2 -26.5 58.1 187 188 A K H < S+ 0 0 81 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.860 116.1 48.3 -70.1 -38.3 -14.3 -25.7 56.1 188 189 A Q H < S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.819 132.2 9.3 -79.9 -35.5 -15.4 -29.3 55.7 189 190 A D X + 0 0 77 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.3 -0.608 65.2 171.1-143.8 81.5 -15.0 -30.5 59.3 190 191 A T H > S+ 0 0 32 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.917 79.1 53.1 -56.6 -43.6 -14.4 -27.6 61.6 191 192 A G H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 109.5 47.1 -59.0 -48.8 -14.8 -29.7 64.8 192 193 A R H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 114.1 49.0 -65.8 -32.6 -12.3 -32.3 63.7 193 194 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 -8,-0.3 -2,-0.2 0.920 107.9 52.3 -73.5 -41.8 -9.8 -29.5 62.7 194 195 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.873 108.0 54.0 -60.2 -33.3 -10.2 -27.6 66.0 195 196 A E H X S+ 0 0 102 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.878 104.8 52.3 -67.8 -37.6 -9.5 -30.9 67.7 196 197 A K H X S+ 0 0 79 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.882 109.5 50.9 -60.2 -39.6 -6.2 -31.2 65.7 197 198 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.934 108.6 52.4 -64.9 -42.9 -5.3 -27.7 66.9 198 199 A C H X>S+ 0 0 2 -4,-2.4 5,-2.2 1,-0.2 4,-0.8 0.918 108.7 47.8 -56.8 -49.9 -6.1 -28.8 70.5 199 200 A Q H ><5S+ 0 0 140 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.953 114.7 48.5 -56.6 -45.8 -3.8 -31.8 70.4 200 201 A F H 3<5S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.887 117.4 37.7 -67.3 -44.1 -1.1 -29.7 68.9 201 202 A L H 3<5S- 0 0 23 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.429 110.4-120.2 -83.6 0.5 -1.3 -26.9 71.3 202 203 A G T <<5 + 0 0 66 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.919 63.5 142.7 54.2 46.4 -1.9 -29.3 74.2 203 204 A K < - 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