==== 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 SUGAR BINDING PROTEIN 05-SEP-07 2Z8F . COMPND 2 MOLECULE: GALACTO-N-BIOSE/LACTO-N-BIOSE I TRANSPORTER SUBST . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM LONGUM; . AUTHOR R.SUZUKI,J.WADA,T.KATAYAMA,S.FUSHINOBU . 800 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.5 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 . 4 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 . 28 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 0 2 8 5 3 0 2 5 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 7 3 2 3 5 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 . 3 4 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 37 A D 0 0 223 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.1 40.7 -25.6 10.1 2 38 A D - 0 0 75 1,-0.1 4,-0.1 2,-0.1 288,-0.0 -0.169 360.0 -88.9 -59.5 163.2 38.8 -23.3 7.8 3 39 A G - 0 0 59 2,-0.2 -1,-0.1 1,-0.1 3,-0.0 -0.142 49.9 -88.2 -67.6 171.3 39.6 -23.1 4.1 4 40 A G S S+ 0 0 68 1,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.843 114.8 39.6 -54.1 -41.3 42.3 -20.7 2.8 5 41 A V - 0 0 84 32,-0.1 2,-0.4 2,-0.0 32,-0.2 -0.962 66.1-170.1-118.4 121.6 39.9 -17.8 2.4 6 42 A V E -a 37 0A 6 30,-2.3 32,-2.7 -2,-0.5 2,-0.5 -0.901 14.9-147.7-103.3 136.8 37.1 -16.9 4.9 7 43 A N E -a 38 0A 110 -2,-0.4 2,-0.3 30,-0.2 32,-0.2 -0.960 15.9-175.0-114.5 124.8 34.6 -14.3 3.7 8 44 A I E -a 39 0A 2 30,-2.8 32,-2.7 -2,-0.5 2,-0.4 -0.873 11.3-151.7-116.2 140.2 33.1 -12.0 6.3 9 45 A T E -a 40 0A 39 -2,-0.3 58,-2.2 30,-0.2 57,-0.6 -0.939 8.5-169.9-113.1 142.5 30.4 -9.3 5.8 10 46 A Y E -ab 41 67A 0 30,-2.5 32,-2.6 -2,-0.4 2,-0.5 -0.984 2.9-166.8-132.1 115.7 30.0 -6.2 8.0 11 47 A M E +ab 42 68A 8 56,-2.4 58,-2.1 -2,-0.4 2,-0.3 -0.913 19.9 170.2-102.2 127.5 27.0 -3.9 7.7 12 48 A H E -a 43 0A 0 30,-2.5 32,-3.2 -2,-0.5 270,-0.0 -0.841 37.5-145.4-129.7 168.2 27.4 -0.6 9.5 13 49 A R + 0 0 62 -2,-0.3 30,-0.1 30,-0.2 35,-0.1 -0.153 47.2 141.8-127.9 42.4 25.6 2.8 9.8 14 50 A L - 0 0 3 1,-0.1 -2,-0.1 2,-0.0 298,-0.1 -0.534 59.8-116.0 -77.4 151.3 28.6 5.1 10.0 15 51 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.818 25.1-164.5 -66.0 -37.4 28.2 8.4 8.1 16 52 A D + 0 0 36 5,-0.1 6,-0.1 1,-0.1 3,-0.1 0.878 31.0 167.6 54.4 37.8 30.9 8.1 5.4 17 53 A S > - 0 0 37 1,-0.2 3,-1.9 4,-0.1 -1,-0.1 -0.315 46.1 -73.3 -77.0 164.9 30.6 11.8 4.8 18 54 A E T 3 S+ 0 0 194 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.281 122.3 29.4 -55.7 137.9 33.0 14.0 2.8 19 55 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.176 99.0 110.6 94.4 -19.3 36.2 14.6 4.7 20 56 A M S < S- 0 0 20 -3,-1.9 2,-0.9 291,-0.1 -1,-0.3 -0.528 79.6-110.0 -86.1 153.9 36.0 11.3 6.6 21 57 A T - 0 0 53 286,-0.4 -5,-0.1 -2,-0.2 -4,-0.1 -0.768 49.6-123.8 -79.4 109.9 38.2 8.2 6.2 22 58 A L >> - 0 0 66 -2,-0.9 4,-2.0 1,-0.1 3,-0.8 -0.245 4.8-123.8 -64.6 146.0 35.6 5.9 4.5 23 59 A V H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.913 113.7 54.4 -53.4 -40.5 34.8 2.6 6.1 24 60 A N H 3> S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.829 106.3 50.5 -65.9 -29.1 35.7 0.9 2.8 25 61 A D H <> S+ 0 0 96 -3,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.817 111.6 48.6 -76.6 -31.0 39.1 2.6 2.8 26 62 A I H >X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 3,-1.0 0.972 113.6 45.8 -67.3 -52.4 39.7 1.3 6.3 27 63 A V H 3X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.855 103.3 65.2 -61.2 -34.8 38.6 -2.2 5.5 28 64 A A H 3X S+ 0 0 48 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.3 0.846 97.8 55.0 -57.6 -34.2 40.7 -2.1 2.3 29 65 A K H < + 0 0 56 -4,-2.0 3,-1.7 3,-0.2 -1,-0.2 -0.601 46.6 161.3-127.4 74.8 44.7 -10.6 5.1 35 71 A P T 3 S+ 0 0 84 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.742 82.4 64.6 -58.1 -20.5 43.9 -12.6 2.0 36 72 A D T 3 S+ 0 0 74 1,-0.3 -30,-2.3 -31,-0.2 2,-0.3 0.671 109.9 33.4 -77.6 -22.6 42.8 -15.3 4.5 37 73 A I E < S-a 6 0A 9 -3,-1.7 2,-0.4 -32,-0.2 -1,-0.3 -0.847 77.1-171.6-136.5 97.2 40.0 -13.2 6.0 38 74 A Q E -a 7 0A 58 -32,-2.7 -30,-2.8 -2,-0.3 2,-0.5 -0.794 7.2-156.4 -96.6 131.9 38.3 -11.0 3.3 39 75 A V E -a 8 0A 8 -2,-0.4 2,-0.7 -32,-0.2 -30,-0.2 -0.924 11.3-161.9-116.2 128.8 35.7 -8.5 4.5 40 76 A K E -a 9 0A 144 -32,-2.7 -30,-2.5 -2,-0.5 2,-0.4 -0.934 16.6-167.2-107.3 110.3 32.9 -6.9 2.6 41 77 A A E +a 10 0A 8 -2,-0.7 2,-0.4 -32,-0.2 -30,-0.2 -0.832 8.0 178.6-100.6 130.5 31.7 -3.7 4.4 42 78 A T E -a 11 0A 72 -32,-2.6 -30,-2.5 -2,-0.4 2,-0.5 -0.987 26.2-128.4-132.0 143.0 28.5 -2.0 3.4 43 79 A K E -a 12 0A 100 -2,-0.4 -30,-0.2 -32,-0.2 2,-0.1 -0.798 36.3-109.7 -86.3 129.0 26.6 1.0 4.7 44 80 A F - 0 0 20 -32,-3.2 2,-1.1 -2,-0.5 7,-0.1 -0.353 25.0-138.6 -55.3 126.3 23.0 0.4 5.6 45 81 A D S S+ 0 0 160 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.786 70.7 50.4 -92.6 95.7 20.8 2.2 3.1 46 82 A G S S- 0 0 45 -2,-1.1 2,-0.1 -33,-0.0 5,-0.0 -0.912 96.9 -52.6 158.2 174.3 18.1 3.6 5.3 47 83 A K >> - 0 0 136 -2,-0.3 3,-2.0 1,-0.1 4,-0.5 -0.469 57.9-106.8 -79.2 154.0 17.4 5.6 8.4 48 84 A A G >4 S+ 0 0 50 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.837 114.2 55.3 -54.0 -44.3 19.1 4.4 11.6 49 85 A S G 34 S+ 0 0 65 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.625 101.5 60.6 -68.5 -13.1 16.1 2.9 13.4 50 86 A D G <> S+ 0 0 54 -3,-2.0 4,-2.3 1,-0.1 -1,-0.3 0.651 83.8 82.2 -84.9 -14.7 15.3 0.7 10.4 51 87 A M H S+ 0 0 9 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.797 110.8 57.0 -69.7 -21.5 17.8 -3.6 13.4 53 89 A K H > S+ 0 0 102 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.924 108.6 45.6 -69.2 -44.1 14.5 -4.2 11.6 54 90 A K H X S+ 0 0 84 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.902 110.9 53.7 -62.0 -42.5 16.4 -5.2 8.4 55 91 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.900 107.6 51.1 -59.3 -40.8 18.7 -7.4 10.5 56 92 A E H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.939 112.7 45.0 -61.0 -48.8 15.7 -9.2 12.0 57 93 A T H X S+ 0 0 92 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.909 115.6 47.5 -57.9 -47.9 14.3 -9.9 8.5 58 94 A D H X>S+ 0 0 12 -4,-2.9 5,-2.4 2,-0.2 4,-1.1 0.853 107.0 54.6 -70.2 -37.0 17.7 -11.0 7.1 59 95 A V H ><5S+ 0 0 16 -4,-2.7 3,-0.7 4,-0.2 -1,-0.2 0.954 111.9 46.5 -58.7 -46.7 18.5 -13.3 10.1 60 96 A K H 3<5S+ 0 0 187 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.7 44.8 -62.2 -39.9 15.2 -15.1 9.4 61 97 A S H 3<5S- 0 0 76 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.580 111.7-118.1 -82.2 -9.3 15.8 -15.3 5.7 62 98 A G T <<5S+ 0 0 66 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 0.732 88.2 108.3 74.8 26.0 19.4 -16.4 6.0 63 99 A E < + 0 0 147 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.224 44.7 127.5-113.5 12.3 20.7 -13.3 4.3 64 100 A A - 0 0 31 -6,-1.0 -55,-0.1 -5,-0.1 2,-0.1 -0.284 59.7-114.6 -73.6 153.0 22.2 -11.6 7.3 65 101 A P - 0 0 17 0, 0.0 220,-0.2 0, 0.0 222,-0.1 -0.347 20.4-120.1 -75.9 167.8 25.8 -10.3 7.6 66 102 A D S S+ 0 0 23 -57,-0.6 219,-2.3 1,-0.2 2,-0.4 0.897 99.2 29.6 -68.5 -40.1 28.3 -11.8 10.0 67 103 A L E +bC 10 284A 0 -58,-2.2 -56,-2.4 217,-0.2 2,-0.3 -0.947 69.1 175.8-126.2 139.0 28.8 -8.5 11.7 68 104 A A E -bC 11 283A 0 215,-2.1 215,-2.8 -2,-0.4 -56,-0.2 -0.992 35.8-110.1-146.5 139.0 26.4 -5.6 12.2 69 105 A Q E + C 0 282A 7 -58,-2.1 2,-0.4 -2,-0.3 213,-0.3 -0.458 40.3 178.9 -62.9 130.4 26.4 -2.3 14.1 70 106 A V E - C 0 281A 0 211,-2.4 211,-3.2 -2,-0.2 5,-0.1 -0.984 26.4-125.8-140.1 123.0 24.1 -2.5 17.0 71 107 A G E >> - C 0 280A 5 -2,-0.4 4,-1.3 209,-0.3 3,-1.1 -0.293 22.8-118.6 -64.6 151.6 23.6 0.3 19.4 72 108 A Y G >4 S+ 0 0 19 207,-2.2 3,-0.6 1,-0.3 281,-0.2 0.912 120.0 53.4 -54.6 -40.2 24.1 -0.5 23.1 73 109 A A G 34 S+ 0 0 23 206,-0.5 284,-0.3 1,-0.2 4,-0.3 0.671 111.3 46.6 -64.9 -21.8 20.5 0.5 23.6 74 110 A E G <> S+ 0 0 27 -3,-1.1 4,-2.4 2,-0.1 5,-0.3 0.607 91.1 81.8 -93.4 -19.8 19.5 -1.9 20.9 75 111 A L H S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.925 113.0 51.3 -59.3 -37.5 19.2 -6.3 24.7 77 113 A E H > S+ 0 0 10 -4,-0.3 4,-1.7 277,-0.2 -2,-0.2 0.946 112.9 41.7 -63.9 -50.1 16.3 -6.0 22.1 78 114 A V H <>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 6,-0.4 0.828 113.5 54.4 -73.0 -27.4 18.1 -7.9 19.4 79 115 A F H ><5S+ 0 0 74 -4,-2.5 3,-2.4 -5,-0.3 5,-0.2 0.956 107.8 49.6 -61.9 -51.5 19.4 -10.5 21.9 80 116 A T H 3<5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.828 106.4 56.4 -60.4 -31.7 15.9 -11.1 23.1 81 117 A K T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.420 116.9-117.0 -77.9 0.6 14.8 -11.6 19.5 82 118 A G T < 5S+ 0 0 39 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.751 76.1 128.8 72.6 28.3 17.4 -14.3 19.1 83 119 A L < + 0 0 10 -5,-2.4 203,-2.5 202,-0.1 2,-0.2 0.537 50.1 78.5 -92.7 -7.8 19.5 -12.5 16.5 84 120 A L B -E 285 0B 17 -6,-0.4 2,-0.4 201,-0.3 201,-0.3 -0.623 65.7-135.6-106.3 161.8 22.9 -12.7 18.1 85 121 A Q - 0 0 46 199,-2.4 2,-0.4 28,-0.3 199,-0.3 -0.965 26.7-118.3-115.1 128.2 25.7 -15.3 18.5 86 122 A D + 0 0 70 -2,-0.4 27,-0.2 1,-0.1 3,-0.1 -0.518 38.8 167.3 -62.0 115.7 27.5 -15.9 21.9 87 123 A V >> + 0 0 0 25,-2.9 4,-3.0 -2,-0.4 3,-1.5 -0.088 26.3 131.7-122.1 28.5 31.1 -15.0 21.1 88 124 A T H 3> + 0 0 25 24,-0.4 4,-2.3 1,-0.3 5,-0.2 0.879 69.1 56.2 -49.2 -45.8 32.3 -14.9 24.8 89 125 A Q H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.706 115.9 38.7 -66.0 -20.0 35.4 -17.1 24.1 90 126 A Y H X> S+ 0 0 47 -3,-1.5 3,-1.3 2,-0.1 4,-0.7 0.864 111.2 55.0 -93.3 -47.8 36.5 -14.7 21.4 91 127 A A H >X S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 4,-1.1 0.872 100.1 63.8 -48.5 -42.8 35.6 -11.4 23.1 92 128 A E H 3< S+ 0 0 115 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.809 97.2 56.3 -53.8 -34.8 37.7 -12.4 26.2 93 129 A Q H <4 S+ 0 0 145 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.766 115.0 36.7 -71.4 -25.2 40.8 -12.4 24.1 94 130 A Y H X< S+ 0 0 33 -3,-1.4 3,-2.5 -4,-0.7 4,-0.3 0.442 83.7 106.0-106.3 -4.1 40.2 -8.7 23.0 95 131 A K G >< S+ 0 0 97 -4,-1.1 3,-1.9 1,-0.3 -1,-0.1 0.830 73.6 59.8 -44.1 -44.0 38.8 -7.3 26.3 96 132 A N G 3 S+ 0 0 148 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.578 93.3 65.5 -72.8 -7.5 42.0 -5.5 27.2 97 133 A D G < S+ 0 0 45 -3,-2.5 221,-2.8 220,-0.1 222,-0.7 0.525 101.0 61.5 -81.9 -7.5 41.8 -3.3 24.0 98 134 A F B < S-F 317 0C 10 -3,-1.9 219,-0.2 -4,-0.3 218,-0.1 -0.882 91.1 -98.1-127.5 149.3 38.6 -1.7 25.2 99 135 A A > - 0 0 29 217,-2.6 4,-2.1 -2,-0.3 5,-0.2 -0.330 37.3-123.1 -59.7 145.7 37.3 0.5 28.1 100 136 A S H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.846 105.5 54.8 -65.7 -34.7 35.6 -1.7 30.8 101 137 A G H > S+ 0 0 29 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.992 112.2 40.5 -61.4 -66.4 32.3 0.2 30.6 102 138 A P H >4 S+ 0 0 12 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.876 112.9 57.2 -49.7 -40.7 31.7 -0.1 26.9 103 139 A Y H >< S+ 0 0 6 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.920 102.9 53.7 -59.4 -42.2 33.0 -3.7 27.1 104 140 A S H >< S+ 0 0 56 -4,-2.1 3,-1.3 -3,-0.4 -1,-0.2 0.780 98.5 66.4 -61.4 -23.9 30.3 -4.6 29.7 105 141 A L T << S+ 0 0 76 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.498 91.7 59.9 -81.8 -3.6 27.7 -3.2 27.3 106 142 A V T < S+ 0 0 0 -3,-1.7 7,-2.1 -4,-0.3 2,-0.3 0.332 94.3 91.2 -94.8 7.8 28.3 -6.0 24.8 107 143 A Q E < -G 112 0D 64 -3,-1.3 2,-0.4 5,-0.2 5,-0.2 -0.753 48.2-177.5-109.3 145.3 27.3 -8.6 27.5 108 144 A V E > S-G 111 0D 37 3,-2.6 3,-1.2 -2,-0.3 -3,-0.0 -0.946 83.6 -11.9-135.3 119.7 24.0 -10.2 28.4 109 145 A G T 3 S- 0 0 81 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.841 129.7 -54.6 60.1 37.1 24.1 -12.6 31.4 110 146 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 -6,-0.1 -1,-0.3 0.630 115.4 116.4 72.0 13.5 27.9 -12.6 31.4 111 147 A K E < -G 108 0D 103 -3,-1.2 -3,-2.6 -24,-0.0 2,-0.3 -0.938 59.4-136.7-110.4 141.1 27.9 -13.7 27.8 112 148 A A E -G 107 0D 0 -2,-0.4 -25,-2.9 -5,-0.2 -24,-0.4 -0.755 17.3-175.0-101.3 144.7 29.5 -11.4 25.1 113 149 A Y - 0 0 15 -7,-2.1 171,-2.2 -2,-0.3 -28,-0.3 0.259 64.5 -42.6-124.0 10.1 27.9 -10.8 21.7 114 150 A G E S-D 283 0A 0 169,-0.3 169,-0.2 -8,-0.2 -8,-0.1 -0.971 74.7 -62.2 164.1-147.7 30.5 -8.6 20.0 115 151 A L E -D 282 0A 0 167,-2.2 167,-2.3 -2,-0.3 2,-0.1 -0.993 43.5-110.1-135.1 145.8 32.9 -5.7 20.7 116 152 A P E +D 281 0A 0 0, 0.0 165,-0.3 0, 0.0 3,-0.1 -0.412 29.5 180.0 -73.0 151.0 32.2 -2.1 21.7 117 153 A Q - 0 0 0 163,-2.5 199,-1.8 1,-0.4 200,-0.5 0.773 53.9 -13.6-117.9 -46.3 32.9 0.6 19.1 118 154 A D B -H 315 0E 5 162,-1.7 -1,-0.4 197,-0.3 2,-0.3 -0.935 52.4-127.1-152.3 169.1 32.1 4.1 20.4 119 155 A T - 0 0 7 195,-2.0 195,-0.5 -2,-0.3 160,-0.3 -0.933 7.9-148.5-125.7 159.9 30.4 6.1 23.2 120 156 A G + 0 0 2 158,-0.6 157,-2.3 -2,-0.3 155,-0.1 -0.414 21.7 172.7-125.2 58.0 27.9 8.9 23.1 121 157 A P B -I 276 0F 0 0, 0.0 120,-2.2 0, 0.0 2,-0.4 -0.381 34.5-118.7 -65.4 141.0 28.3 11.3 26.0 122 158 A L E +J 240 0G 0 153,-1.7 142,-0.5 118,-0.2 118,-0.2 -0.657 41.2 165.4 -80.8 137.0 26.1 14.4 25.8 123 159 A V E -JK 239 263G 0 116,-3.0 116,-2.4 -2,-0.4 2,-0.5 -0.713 35.2-103.2-136.1-175.4 27.9 17.8 25.6 124 160 A Y E -JK 238 262G 0 138,-2.8 138,-2.9 114,-0.2 2,-0.4 -0.978 23.3-164.0-124.2 118.3 27.0 21.4 24.8 125 161 A F E +JK 237 261G 0 112,-2.9 112,-2.7 -2,-0.5 2,-0.3 -0.876 21.9 164.2 -96.3 137.2 28.0 23.1 21.5 126 162 A Y E -JK 236 260G 23 134,-2.3 134,-2.5 -2,-0.4 2,-0.9 -0.998 43.4-117.5-152.4 151.8 27.9 26.9 21.5 127 163 A N E > - K 0 259G 5 108,-2.9 4,-2.2 -2,-0.3 132,-0.2 -0.801 25.2-166.4 -89.8 103.9 29.1 29.9 19.5 128 164 A K H > S+ 0 0 98 130,-2.1 4,-2.0 -2,-0.9 -1,-0.2 0.848 85.3 53.9 -62.3 -37.6 31.3 31.8 21.9 129 165 A A H > S+ 0 0 28 129,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.893 110.3 46.0 -62.7 -42.7 31.4 34.9 19.8 130 166 A E H > S+ 0 0 37 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.845 109.8 54.9 -71.5 -34.7 27.6 35.1 19.5 131 167 A F H <>S+ 0 0 3 -4,-2.2 5,-2.4 2,-0.2 3,-0.5 0.921 108.1 50.2 -58.9 -45.1 27.3 34.5 23.3 132 168 A E H ><5S+ 0 0 92 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.914 105.2 55.5 -61.7 -42.7 29.6 37.5 23.8 133 169 A K H 3<5S+ 0 0 152 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 109.8 47.8 -60.0 -27.8 27.5 39.7 21.6 134 170 A L T 3<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.430 119.3-110.7 -93.7 -3.1 24.5 38.9 23.8 135 171 A G T < 5S+ 0 0 53 -3,-1.6 2,-1.2 -4,-0.4 -3,-0.2 0.568 72.9 139.6 85.0 9.6 26.4 39.6 27.0 136 172 A I < + 0 0 15 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.736 20.0 168.7 -86.7 94.9 26.4 35.9 28.0 137 173 A T + 0 0 106 -2,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.412 59.9 31.5 -97.8 1.9 29.9 35.8 29.4 138 174 A E S S- 0 0 98 -7,-0.1 -1,-0.1 -3,-0.1 3,-0.0 -0.976 91.1-100.0-147.1 151.3 29.8 32.4 31.1 139 175 A I - 0 0 25 -2,-0.3 7,-0.1 1,-0.1 -2,-0.0 -0.658 50.5-117.1 -67.5 116.2 27.9 29.2 30.4 140 176 A P - 0 0 3 0, 0.0 125,-0.1 0, 0.0 -1,-0.1 -0.340 26.4-160.0 -57.6 133.5 25.0 29.5 32.9 141 177 A Q + 0 0 85 124,-0.1 125,-1.7 125,-0.1 2,-0.3 0.612 65.5 57.9-101.7 -9.4 25.3 26.5 35.3 142 178 A T B > S-l 266 0H 22 123,-0.1 4,-2.4 1,-0.1 125,-0.2 -0.845 84.1-119.4-111.2 155.9 21.8 26.3 36.8 143 179 A A H > S+ 0 0 23 123,-0.8 4,-3.0 -2,-0.3 5,-0.2 0.915 113.5 52.4 -57.3 -44.9 18.5 25.7 34.8 144 180 A D H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 111.7 44.8 -58.7 -43.9 17.1 29.1 36.1 145 181 A E H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 114.6 50.2 -69.1 -37.8 20.1 31.1 35.0 146 182 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.925 109.0 50.5 -63.5 -47.5 20.2 29.2 31.6 147 183 A I H X S+ 0 0 4 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.913 109.9 51.1 -58.6 -42.7 16.5 29.9 31.0 148 184 A A H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.927 112.0 46.5 -59.2 -46.5 17.0 33.6 31.7 149 185 A A H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 110.3 54.8 -62.7 -38.2 19.9 33.7 29.3 150 186 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.860 105.8 50.5 -66.7 -36.5 17.8 31.8 26.7 151 187 A K H X S+ 0 0 107 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.905 109.2 52.1 -66.3 -40.6 15.0 34.4 26.9 152 188 A T H X S+ 0 0 81 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.923 112.2 46.4 -58.1 -47.4 17.5 37.2 26.4 153 189 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.907 110.5 52.1 -61.3 -44.0 18.8 35.3 23.3 154 190 A A H ><5S+ 0 0 19 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.849 102.2 58.4 -64.8 -36.4 15.3 34.6 22.0 155 191 A A H 3<5S+ 0 0 94 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.764 108.7 48.7 -63.5 -25.8 14.3 38.3 22.2 156 192 A A T <<5S- 0 0 58 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.220 123.5-106.3 -95.3 11.0 17.2 38.9 19.9 157 193 A G T < 5S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.751 85.0 117.3 68.1 23.9 16.2 36.2 17.4 158 194 A K < - 0 0 44 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.849 51.6-149.4-117.0 156.4 19.0 33.8 18.6 159 195 A Y B -m 234 0I 65 74,-2.8 76,-2.8 -2,-0.3 77,-1.0 -0.990 15.7-174.8-133.0 124.3 18.5 30.4 20.3 160 196 A I S S+ 0 0 0 54,-0.4 2,-0.3 -2,-0.4 55,-0.1 0.286 76.7 43.8 -97.8 7.7 20.9 28.9 22.8 161 197 A M - 0 0 0 53,-0.3 55,-1.9 76,-0.1 2,-0.4 -0.992 64.5-152.7-144.1 148.2 19.0 25.6 22.9 162 198 A S B -n 216 0J 1 -2,-0.3 2,-0.5 53,-0.2 76,-0.3 -0.944 7.7-150.9-112.5 145.0 17.3 23.2 20.5 163 199 A Y - 0 0 0 53,-2.9 5,-0.0 -2,-0.4 -2,-0.0 -0.991 15.7-165.0-108.5 119.6 14.4 20.9 21.2 164 200 A Q > - 0 0 3 -2,-0.5 3,-2.3 1,-0.2 4,-0.3 -0.796 13.2-179.1-114.1 89.7 14.7 17.9 18.9 165 201 A P G > S+ 0 0 12 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.811 83.8 57.0 -62.4 -29.5 11.5 15.9 18.8 166 202 A D G 3 S+ 0 0 40 1,-0.2 199,-0.1 2,-0.1 200,-0.1 0.403 112.2 43.5 -78.5 2.5 12.9 13.3 16.5 167 203 A E G X>>S+ 0 0 19 -3,-2.3 4,-3.0 198,-0.1 3,-1.3 0.196 77.2 108.8-127.3 10.5 15.7 12.6 19.0 168 204 A A T <4>S+ 0 0 0 -3,-0.9 5,-1.6 -4,-0.3 4,-0.3 0.917 77.9 54.7 -57.5 -41.6 13.6 12.6 22.2 169 205 A G T 345S+ 0 0 0 192,-0.4 -1,-0.3 -4,-0.3 192,-0.1 0.683 123.6 24.8 -64.2 -20.2 14.1 8.8 22.6 170 206 A N T <>5S+ 0 0 58 -3,-1.3 4,-1.1 191,-0.1 -2,-0.2 0.767 131.7 32.3-110.3 -52.5 17.9 9.1 22.4 171 207 A M H X5S+ 0 0 3 -4,-3.0 4,-2.4 2,-0.2 -3,-0.2 0.933 124.0 41.9 -75.8 -51.1 18.9 12.6 23.6 172 208 A I H >< S+ 0 0 0 -4,-2.4 3,-0.6 2,-0.2 4,-0.3 0.940 117.0 41.6 -64.2 -47.1 19.6 13.7 29.7 176 212 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.923 113.2 55.4 -62.8 -39.8 17.1 12.3 32.1 177 213 A G H >< S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.628 83.3 85.4 -71.0 -15.4 19.2 9.1 32.5 178 214 A A T << S+ 0 0 6 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.1 0.824 97.7 39.1 -56.6 -32.8 22.3 11.1 33.6 179 215 A S T < S- 0 0 51 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.2 0.398 130.1 -16.5-102.8 1.0 21.0 11.0 37.1 180 216 A G < - 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B 0 662S 5 108,-2.7 4,-2.2 -2,-0.3 132,-0.2 -0.809 25.9-170.1 -94.4 101.7 16.0 8.8 59.6 531 164 B K H > S+ 0 0 92 130,-1.8 4,-3.0 -2,-1.0 5,-0.2 0.884 84.5 55.1 -61.4 -43.5 15.3 6.2 56.9 532 165 B A H > S+ 0 0 32 129,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.904 111.1 45.5 -52.9 -44.2 12.6 4.4 58.9 533 166 B E H > S+ 0 0 28 2,-0.2 4,-0.9 -3,-0.2 -2,-0.2 0.847 111.0 52.8 -72.7 -35.0 10.7 7.7 59.3 534 167 B F H ><>S+ 0 0 2 -4,-2.2 5,-2.0 1,-0.2 3,-1.2 0.958 107.6 52.3 -60.4 -49.8 11.2 8.5 55.6 535 168 B E H ><5S+ 0 0 87 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.879 103.6 57.6 -55.6 -41.8 9.7 5.1 54.7 536 169 B K H 3<5S+ 0 0 156 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.770 107.4 48.0 -57.5 -29.4 6.6 5.7 56.9 537 170 B L T <<5S- 0 0 37 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.358 121.1-107.0 -94.2 1.7 5.8 8.9 54.9 538 171 B G T < 5S+ 0 0 53 -3,-1.6 2,-1.3 -4,-0.3 -3,-0.2 0.525 75.7 138.6 83.1 7.3 6.2 7.1 51.5 539 172 B I < + 0 0 17 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.693 20.9 169.3 -85.9 92.7 9.6 8.7 50.8 540 173 B T + 0 0 84 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.631 63.1 24.1 -89.0 -15.9 11.3 5.7 49.4 541 174 B E S S- 0 0 153 -3,-0.1 -1,-0.1 -7,-0.1 3,-0.0 -0.973 92.3 -97.2-139.9 155.5 14.4 7.5 48.0 542 175 B I - 0 0 21 -2,-0.3 7,-0.1 1,-0.1 -2,-0.0 -0.626 47.8-114.8 -71.4 121.1 16.1 10.8 48.9 543 176 B P - 0 0 11 0, 0.0 125,-0.1 0, 0.0 -1,-0.1 -0.328 24.8-157.7 -59.3 136.1 14.7 13.3 46.4 544 177 B Q + 0 0 81 124,-0.1 125,-2.2 125,-0.1 2,-0.3 0.597 65.7 59.3 -99.7 -10.5 17.7 14.5 44.2 545 178 B T B > S-c 669 0T 16 123,-0.1 4,-2.4 1,-0.1 125,-0.2 -0.832 83.6-117.6-115.2 157.4 16.4 17.9 43.0 546 179 B A H > S+ 0 0 26 123,-0.9 4,-2.8 -2,-0.3 5,-0.2 0.937 114.3 49.6 -58.7 -45.9 15.4 21.0 44.9 547 180 B D H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 113.2 44.1 -64.5 -40.3 11.8 20.8 43.6 548 181 B E H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.838 114.2 52.0 -71.7 -31.4 11.3 17.1 44.4 549 182 B F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 108.7 48.9 -66.7 -49.1 12.9 17.7 47.8 550 183 B I H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.874 110.0 53.0 -57.1 -41.1 10.6 20.6 48.6 551 184 B A H X S+ 0 0 43 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.932 111.2 45.5 -58.8 -47.0 7.6 18.5 47.6 552 185 B A H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.877 109.7 56.0 -64.1 -39.1 8.6 15.7 49.9 553 186 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.842 105.5 51.4 -63.7 -36.8 9.3 18.3 52.7 554 187 B K H X S+ 0 0 104 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.912 109.3 50.1 -66.0 -43.6 5.7 19.6 52.4 555 188 B T H X S+ 0 0 81 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.920 112.9 47.0 -58.1 -46.3 4.4 16.0 52.7 556 189 B A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.3 0.930 109.6 53.5 -61.5 -45.2 6.5 15.4 55.8 557 190 B A H ><5S+ 0 0 19 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.867 100.7 59.6 -64.4 -36.2 5.5 18.8 57.4 558 191 B A H 3<5S+ 0 0 97 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.748 108.2 47.6 -60.9 -22.8 1.8 17.9 57.0 559 192 B A T <<5S- 0 0 59 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.179 125.6-101.0-103.9 16.1 2.5 14.9 59.2 560 193 B G T < 5S+ 0 0 38 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.733 86.8 119.9 73.6 22.8 4.4 16.9 61.9 561 194 B K < - 0 0 47 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.891 48.3-154.6-119.7 150.9 7.8 15.7 60.5 562 195 B Y B -d 637 0U 64 74,-2.7 76,-2.8 -2,-0.3 77,-1.1 -0.983 13.5-174.8-131.8 120.4 10.7 17.8 59.1 563 196 B I S S+ 0 0 0 -2,-0.4 2,-0.3 54,-0.4 55,-0.1 0.364 75.9 42.2 -94.9 7.6 13.2 16.6 56.6 564 197 B M - 0 0 0 53,-0.3 55,-1.8 76,-0.1 2,-0.4 -0.996 64.2-151.6-148.5 147.2 15.2 19.8 56.8 565 198 B S B -e 619 0V 1 -2,-0.3 2,-0.6 53,-0.2 76,-0.3 -0.934 9.4-147.8-113.7 145.7 16.4 22.3 59.3 566 199 B Y - 0 0 0 53,-3.0 52,-0.0 -2,-0.4 5,-0.0 -0.976 17.8-167.0-105.7 114.8 17.1 26.0 58.8 567 200 B Q > + 0 0 4 -2,-0.6 3,-2.1 1,-0.2 4,-0.3 -0.796 12.7 179.8-111.1 91.3 20.0 26.9 61.1 568 201 B P G > S+ 0 0 9 0, 0.0 3,-0.8 0, 0.0 204,-0.3 0.787 82.5 56.9 -66.2 -25.9 20.3 30.7 61.4 569 202 B D G 3 S+ 0 0 35 1,-0.2 199,-0.1 2,-0.1 200,-0.1 0.450 110.4 45.9 -81.9 -0.8 23.2 30.4 63.8 570 203 B E G X>>S+ 0 0 18 -3,-2.1 4,-3.1 198,-0.1 3,-0.9 0.251 76.5 106.9-120.0 9.9 25.1 28.4 61.3 571 204 B A T <4>S+ 0 0 0 -3,-0.8 5,-1.3 -4,-0.3 4,-0.2 0.892 77.6 57.1 -55.7 -39.4 24.4 30.5 58.2 572 205 B G T 345S+ 0 0 0 192,-0.3 -1,-0.2 -4,-0.3 193,-0.1 0.783 123.3 21.3 -61.7 -30.7 28.1 31.7 58.2 573 206 B N T <>5S+ 0 0 59 -3,-0.9 4,-1.2 3,-0.1 -2,-0.2 0.814 131.8 34.6-104.8 -47.7 29.5 28.2 58.0 574 207 B M H X5S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 -3,-0.2 0.938 122.2 42.8 -79.5 -50.7 26.9 25.9 56.6 575 208 B I H >< S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 4,-0.3 0.936 117.7 39.3 -66.9 -45.8 26.4 25.1 50.4 579 212 B A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.894 114.7 56.5 -68.8 -38.3 26.4 28.2 48.2 580 213 B G H >< S+ 0 0 1 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.2 0.615 83.0 84.5 -66.0 -19.8 30.2 27.8 47.9 581 214 B A T << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 0.774 96.4 41.9 -53.5 -31.0 30.0 24.2 46.5 582 215 B S T < S- 0 0 53 -3,-1.1 -1,-0.3 1,-0.3 2,-0.2 0.350 130.4 -23.6-103.5 1.1 29.5 25.5 43.0 583 216 B G < - 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