==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-09 3HZS . COMPND 2 MOLECULE: MONOFUNCTIONAL GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR H.HEASLET,A.A.MILLER,B.SHAW,A.MISTRY . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 4 1 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 60 A N > 0 0 51 0, 0.0 3,-1.7 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 12.5 -36.8 -42.6 53.3 2 61 A L G > + 0 0 119 1,-0.3 3,-1.7 2,-0.2 83,-0.0 0.793 360.0 64.5 -57.5 -31.3 -37.8 -45.8 55.1 3 62 A Y G 3 S+ 0 0 168 1,-0.3 -1,-0.3 13,-0.0 13,-0.1 0.829 101.6 50.2 -62.3 -29.6 -34.2 -46.7 56.0 4 63 A F G < S+ 0 0 40 -3,-1.7 -1,-0.3 13,-0.0 2,-0.3 -0.053 103.0 77.0-102.9 28.8 -33.9 -43.6 58.2 5 64 A Q < + 0 0 10 -3,-1.7 2,-0.3 81,-0.0 79,-0.2 -0.869 54.4 135.8-128.0 168.3 -37.1 -44.4 60.1 6 65 A G B -a 84 0A 5 77,-1.8 79,-0.7 -2,-0.3 -2,-0.0 -0.922 61.2 -78.5 179.8-158.5 -37.8 -47.1 62.8 7 66 A H - 0 0 131 -2,-0.3 77,-0.1 77,-0.1 -1,-0.0 0.456 58.2-121.8-113.5 -4.9 -39.4 -47.9 66.2 8 67 A M + 0 0 21 2,-0.1 3,-0.1 75,-0.1 76,-0.0 0.948 46.1 165.5 60.1 53.2 -36.9 -46.2 68.3 9 68 A D S S+ 0 0 144 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.864 82.9 11.2 -60.0 -30.5 -35.8 -49.2 70.4 10 69 A N S > S- 0 0 78 1,-0.0 3,-1.9 0, 0.0 -1,-0.2 -0.992 77.4-125.3-146.7 142.8 -32.9 -46.9 71.3 11 70 A V G > S+ 0 0 6 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 0.592 101.1 80.3 -63.7 -6.3 -32.4 -43.2 70.6 12 71 A D G > + 0 0 90 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.645 68.9 84.5 -81.7 -2.6 -29.1 -44.0 68.9 13 72 A E G X S+ 0 0 36 -3,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.781 78.6 65.9 -62.0 -24.9 -31.1 -45.0 65.8 14 73 A L G X S+ 0 0 0 -3,-1.3 3,-1.8 1,-0.2 4,-0.3 0.767 83.9 75.1 -68.1 -22.6 -31.1 -41.3 64.9 15 74 A R G X S+ 0 0 90 -3,-1.4 3,-1.4 1,-0.3 4,-0.3 0.760 79.8 72.0 -65.2 -19.8 -27.3 -41.4 64.4 16 75 A K G X S+ 0 0 56 -3,-1.1 3,-1.7 -4,-0.4 -1,-0.3 0.813 80.2 72.1 -70.9 -21.6 -27.8 -43.2 61.2 17 76 A I G X S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.795 84.4 72.3 -52.8 -31.1 -29.1 -40.0 59.6 18 77 A E G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.749 88.4 60.3 -60.5 -24.5 -25.4 -38.9 59.7 19 78 A N G < S+ 0 0 144 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.513 73.2 120.0 -85.6 -0.1 -24.6 -41.3 56.9 20 79 A K S X S- 0 0 22 -3,-1.6 3,-1.5 -4,-0.2 -3,-0.0 -0.350 71.0-126.1 -57.8 141.4 -26.9 -39.7 54.3 21 80 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.818 109.4 40.5 -60.8 -31.1 -24.9 -38.5 51.4 22 81 A S T 3 S+ 0 0 37 97,-0.1 109,-0.3 2,-0.1 -1,-0.3 0.236 83.7 142.4-105.7 14.5 -26.3 -34.9 51.5 23 82 A F < - 0 0 45 -3,-1.5 2,-0.4 -5,-0.1 -5,-0.1 -0.310 27.0-175.9 -49.9 133.2 -26.1 -34.9 55.3 24 83 A V - 0 0 12 91,-0.2 106,-0.1 118,-0.0 107,-0.1 -0.967 22.5-127.4-135.0 122.9 -25.0 -31.4 56.6 25 84 A S > - 0 0 28 -2,-0.4 3,-1.5 1,-0.1 87,-0.1 -0.339 15.3-124.7 -65.0 145.4 -24.5 -30.8 60.2 26 85 A A G > S+ 0 0 0 85,-0.4 3,-2.3 1,-0.3 8,-0.1 0.907 113.3 62.5 -55.6 -43.7 -26.2 -27.9 62.0 27 86 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 84,-0.1 4,-0.1 0.790 101.9 52.8 -45.9 -32.3 -22.7 -26.8 63.1 28 87 A N G < S+ 0 0 62 -3,-1.5 116,-2.4 2,-0.1 117,-0.3 0.213 94.1 90.8 -96.0 14.5 -21.9 -26.3 59.4 29 88 A M S < S- 0 0 0 -3,-2.3 114,-0.1 114,-0.2 113,-0.1 -0.824 83.2-104.2-110.0 150.2 -24.8 -24.2 58.5 30 89 A P >> - 0 0 22 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.425 33.1-120.4 -63.6 146.2 -25.1 -20.4 58.6 31 90 A E H 3> S+ 0 0 105 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.820 112.3 58.0 -53.5 -38.8 -27.1 -19.1 61.6 32 91 A Y H 3> S+ 0 0 49 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.822 104.7 52.9 -70.3 -24.3 -29.7 -17.4 59.4 33 92 A V H <> S+ 0 0 0 -3,-0.8 4,-1.1 2,-0.2 3,-0.4 0.970 113.7 41.2 -67.2 -56.4 -30.4 -20.8 57.8 34 93 A K H >X S+ 0 0 8 -4,-1.9 4,-3.0 1,-0.2 3,-0.5 0.928 113.1 54.3 -56.8 -45.9 -30.9 -22.5 61.1 35 94 A G H 3X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.4 0.807 97.0 66.1 -64.0 -27.0 -32.9 -19.4 62.5 36 95 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.970 112.7 33.4 -54.4 -47.4 -35.3 -19.7 59.5 37 96 A F H < - 0 0 1 -4,-2.7 3,-2.4 -5,-0.4 4,-0.2 -0.333 55.1-171.8-178.7 77.2 -39.9 -23.4 67.8 43 102 A E T 3 S+ 0 0 44 -4,-0.3 3,-0.4 1,-0.3 -4,-0.1 0.771 88.8 46.5 -57.8 -38.4 -38.3 -20.1 68.8 44 103 A R T >> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.1 3,-1.3 0.114 74.1 129.7 -92.5 23.7 -37.1 -21.1 72.2 45 104 A F T <4 S+ 0 0 0 -3,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.855 72.7 47.3 -38.5 -53.4 -35.6 -24.3 70.8 46 105 A Y T 34 S+ 0 0 86 -3,-0.4 -1,-0.3 1,-0.2 64,-0.1 0.796 115.1 46.8 -67.8 -25.3 -32.2 -23.8 72.4 47 106 A N T <4 S+ 0 0 126 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.792 100.5 64.9 -88.3 -32.0 -33.7 -22.8 75.8 48 107 A H S < S- 0 0 16 -4,-2.0 0, 0.0 -3,-0.1 0, 0.0 -0.206 77.0-121.1 -93.8-177.2 -36.3 -25.5 76.5 49 108 A H S S- 0 0 147 -2,-0.0 56,-0.2 27,-0.0 57,-0.1 -0.012 74.5 -69.1-113.2 30.3 -36.1 -29.2 77.2 50 109 A G S S+ 0 0 0 -5,-0.2 27,-0.3 55,-0.1 24,-0.3 0.300 127.0 57.5 114.8 -10.7 -38.3 -30.3 74.4 51 110 A F S S- 0 0 58 22,-0.1 5,-0.1 25,-0.1 23,-0.1 0.636 73.7-150.3-126.8 -38.3 -41.8 -29.1 75.5 52 111 A D > + 0 0 14 -8,-0.1 4,-2.2 -7,-0.1 5,-0.2 0.859 34.1 159.0 65.7 34.0 -41.6 -25.3 76.0 53 112 A L H > + 0 0 127 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.915 68.7 48.9 -53.2 -51.3 -44.3 -25.4 78.7 54 113 A K H > S+ 0 0 175 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 115.3 40.8 -57.0 -55.5 -43.3 -22.0 80.2 55 114 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.827 114.0 53.3 -68.5 -34.1 -43.1 -20.0 77.0 56 115 A T H X S+ 0 0 77 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.901 109.5 49.8 -63.7 -43.0 -46.3 -21.6 75.6 57 116 A T H X S+ 0 0 69 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.935 111.6 47.2 -66.4 -44.2 -48.1 -20.7 78.8 58 117 A R H X>S+ 0 0 132 -4,-2.1 4,-3.5 1,-0.2 5,-0.6 0.943 108.7 53.9 -58.8 -49.8 -47.0 -17.1 78.7 59 118 A A H <5S+ 0 0 6 -4,-2.4 9,-0.3 1,-0.2 10,-0.3 0.831 117.0 41.5 -59.1 -29.8 -47.8 -16.7 75.0 60 119 A L H <5S+ 0 0 103 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.972 128.7 22.0 -77.6 -60.3 -51.3 -17.9 75.9 61 120 A F H <5S+ 0 0 157 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.613 111.5 64.4 -93.7 -15.8 -52.0 -16.1 79.2 62 121 A S T <5S+ 0 0 87 -4,-3.5 2,-0.3 -5,-0.3 -1,-0.2 0.853 107.7 23.8 -80.4 -35.1 -49.8 -13.0 79.3 63 122 A T < - 0 0 47 -5,-0.6 -1,-0.1 -4,-0.3 5,-0.0 -0.883 64.6-135.9-126.8 156.0 -51.1 -11.0 76.3 64 123 A I S S+ 0 0 180 -2,-0.3 -1,-0.1 -3,-0.0 -2,-0.0 0.731 84.7 94.0 -78.0 -26.5 -54.5 -11.0 74.6 65 124 A S S S- 0 0 31 1,-0.1 3,-0.3 -3,-0.0 -2,-0.2 -0.218 75.2-140.8 -60.4 153.9 -52.6 -10.9 71.4 66 125 A D S > S+ 0 0 127 1,-0.2 3,-1.2 2,-0.1 -1,-0.1 0.246 70.3 115.0 -95.5 16.7 -51.7 -14.1 69.5 67 126 A R T 3 S+ 0 0 190 1,-0.3 -1,-0.2 -8,-0.0 -8,-0.1 0.789 79.3 36.3 -61.6 -31.8 -48.3 -12.6 68.7 68 127 A D T 3 S+ 0 0 74 -3,-0.3 -1,-0.3 -9,-0.3 2,-0.2 0.465 87.7 114.0-104.8 1.0 -46.3 -15.1 70.7 69 128 A V < - 0 0 77 -3,-1.2 2,-0.2 -10,-0.3 -13,-0.1 -0.506 45.8-171.4 -72.7 135.8 -48.3 -18.3 70.0 70 129 A Q - 0 0 45 -2,-0.2 -29,-0.1 1,-0.2 -28,-0.1 -0.547 29.0 -70.5-115.4-173.2 -46.5 -20.9 68.0 71 130 A G - 0 0 60 -31,-0.2 -1,-0.2 -2,-0.2 -30,-0.0 -0.143 50.9-100.8 -74.8 173.7 -47.4 -24.2 66.3 72 131 A G S S+ 0 0 71 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.303 95.6 62.9 -83.4 10.8 -48.2 -27.3 68.2 73 132 A S - 0 0 31 -32,-0.2 -2,-0.1 4,-0.0 -1,-0.1 -0.946 65.5-142.9-142.7 122.8 -44.8 -29.1 67.9 74 133 A T > - 0 0 10 -2,-0.4 4,-2.3 -24,-0.3 3,-0.3 -0.329 38.8-105.1 -72.4 163.8 -41.3 -28.3 69.1 75 134 A I H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 122.7 55.5 -59.1 -38.4 -38.5 -29.3 66.7 76 135 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 107.7 48.4 -60.9 -41.7 -37.6 -32.2 69.0 77 136 A Q H > S+ 0 0 13 -3,-0.3 4,-2.4 -27,-0.3 -1,-0.2 0.865 109.8 53.2 -61.6 -42.3 -41.2 -33.6 68.8 78 137 A Q H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.812 104.7 54.3 -61.1 -38.2 -41.0 -33.2 65.0 79 138 A V H X S+ 0 0 5 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.925 111.2 46.3 -61.9 -43.4 -37.8 -35.2 64.9 80 139 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-0.5 0.969 111.8 49.9 -63.0 -50.5 -39.6 -38.1 66.7 81 140 A K H < S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.895 114.0 45.6 -58.6 -40.4 -42.6 -38.0 64.6 82 141 A N H < S+ 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.737 110.0 53.2 -76.6 -21.9 -40.5 -38.0 61.4 83 142 A Y H < S+ 0 0 0 -4,-1.6 -77,-1.8 -3,-0.5 -2,-0.2 0.917 96.8 79.3 -75.1 -45.3 -38.2 -40.9 62.6 84 143 A F B < S-a 6 0A 10 -4,-2.7 -77,-0.1 -79,-0.2 3,-0.1 -0.292 103.6 -91.5 -55.7 142.4 -41.3 -43.0 63.4 85 144 A Y - 0 0 97 -79,-0.7 -1,-0.1 1,-0.1 -2,-0.1 -0.209 56.4 -81.5 -57.4 151.6 -42.8 -44.7 60.3 86 145 A D + 0 0 131 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.286 68.9 158.7 -54.6 137.9 -45.5 -42.7 58.5 87 146 A N - 0 0 90 -3,-0.1 2,-0.1 3,-0.0 -1,-0.0 -0.963 46.3 -72.5-160.0 170.6 -48.7 -43.2 60.3 88 147 A D - 0 0 130 -2,-0.3 2,-0.4 1,-0.1 5,-0.1 -0.497 55.3-112.3 -73.5 146.1 -52.2 -41.8 60.9 89 148 A R + 0 0 125 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.598 52.9 148.7 -81.0 126.8 -52.1 -38.7 63.2 90 149 A S > - 0 0 51 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.968 59.3-107.1-149.1 166.6 -53.8 -39.2 66.6 91 150 A F H > S+ 0 0 168 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.887 118.3 53.9 -57.8 -46.2 -53.7 -38.2 70.3 92 151 A T H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 111.9 43.5 -61.9 -42.0 -52.2 -41.6 71.3 93 152 A R H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.952 111.8 53.9 -68.3 -43.8 -49.3 -41.2 68.7 94 153 A K H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.893 108.4 50.4 -50.4 -46.7 -48.7 -37.6 69.7 95 154 A V H X S+ 0 0 61 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.893 108.9 49.9 -63.2 -41.5 -48.3 -38.6 73.3 96 155 A K H X S+ 0 0 102 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.943 108.9 53.9 -62.0 -43.0 -45.8 -41.3 72.5 97 156 A E H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.863 107.7 50.4 -58.3 -36.4 -43.9 -38.7 70.5 98 157 A L H X S+ 0 0 54 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.906 109.6 50.5 -66.1 -44.8 -43.8 -36.4 73.6 99 158 A F H X S+ 0 0 124 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.894 114.6 43.3 -56.8 -47.1 -42.5 -39.3 75.8 100 159 A V H >X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 3,-0.6 0.864 105.0 63.4 -73.7 -37.6 -39.7 -40.1 73.3 101 160 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.853 99.7 54.8 -50.6 -38.0 -38.9 -36.4 72.8 102 161 A H H 3X S+ 0 0 109 -4,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.884 108.5 48.3 -66.2 -36.2 -37.9 -36.3 76.5 103 162 A R H - 0 0 88 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.406 41.0 -97.5 -89.6 173.1 -27.5 -31.6 72.6 110 169 A K H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.813 121.0 53.4 -66.2 -34.1 -29.4 -29.1 70.6 111 170 A N H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -85,-0.4 0.874 108.8 48.8 -69.0 -36.4 -27.1 -29.1 67.6 112 171 A E H > S+ 0 0 42 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 114.0 47.5 -63.3 -50.1 -27.4 -32.9 67.2 113 172 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.969 112.3 48.5 -56.2 -52.6 -31.2 -32.6 67.5 114 173 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.884 110.8 52.1 -58.2 -35.3 -31.3 -29.8 65.0 115 174 A S H X S+ 0 0 4 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.908 109.6 48.3 -68.2 -41.1 -29.1 -31.9 62.6 116 175 A F H < S+ 0 0 2 -4,-2.7 4,-0.2 2,-0.2 -2,-0.2 0.886 112.7 52.0 -62.6 -39.9 -31.5 -34.8 62.9 117 176 A Y H >< S+ 0 0 0 -4,-2.9 3,-1.9 -5,-0.2 -2,-0.2 0.994 112.0 40.6 -56.6 -63.1 -34.3 -32.4 62.2 118 177 A L H 3< S+ 0 0 0 -4,-2.6 12,-2.2 1,-0.3 3,-0.3 0.663 117.4 49.5 -66.8 -18.2 -33.0 -30.7 59.0 119 178 A N T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 10,-0.3 -2,-0.2 0.283 115.9 37.5-106.7 13.5 -31.6 -33.9 57.6 120 179 A N S < S+ 0 0 6 -3,-1.9 2,-0.3 -4,-0.2 9,-0.2 -0.097 88.0 93.2-154.3 49.6 -34.7 -36.2 58.0 121 180 A I S S- 0 0 6 7,-0.6 2,-0.4 -3,-0.3 -42,-0.0 -0.912 78.4 -99.5-132.4 163.3 -38.0 -34.2 57.3 122 181 A Y + 0 0 59 -2,-0.3 6,-0.2 42,-0.2 44,-0.1 -0.700 35.1 173.2 -95.6 133.0 -39.8 -34.0 53.9 123 182 A F - 0 0 0 4,-3.0 -1,-0.1 -2,-0.4 5,-0.1 0.433 54.4 -94.0-112.4 -4.0 -39.2 -30.9 51.8 124 183 A G B > S+B 127 0B 1 3,-0.6 3,-1.9 40,-0.1 -1,-0.3 -0.251 98.9 55.5 107.2 159.7 -41.1 -32.1 48.6 125 184 A D T 3 S- 0 0 92 1,-0.3 3,-0.1 42,-0.2 43,-0.0 0.848 130.6 -56.8 45.8 44.7 -40.0 -33.8 45.4 126 185 A N T 3 S+ 0 0 120 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.692 99.5 138.3 69.6 20.9 -38.4 -36.7 47.2 127 186 A Q B < +B 124 0B 44 -3,-1.9 -4,-3.0 1,-0.1 -3,-0.6 -0.895 21.9 168.5-108.8 118.8 -36.0 -34.6 49.3 128 187 A Y + 0 0 67 -2,-0.6 -7,-0.6 -6,-0.2 2,-0.3 0.078 61.6 63.1-112.8 17.6 -35.6 -35.5 52.9 129 188 A T S > S- 0 0 7 -9,-0.2 4,-1.9 1,-0.1 -10,-0.3 -0.984 78.9-126.5-138.1 156.7 -32.6 -33.3 53.7 130 189 A L H > S+ 0 0 0 -12,-2.2 4,-2.7 -2,-0.3 5,-0.2 0.923 111.7 49.3 -66.5 -45.2 -32.2 -29.6 53.8 131 190 A E H > S+ 0 0 19 -109,-0.3 4,-2.8 1,-0.2 5,-0.3 0.928 109.2 51.8 -58.8 -46.2 -29.1 -29.7 51.4 132 191 A G H > S+ 0 0 8 -110,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 114.0 45.1 -54.5 -44.1 -30.9 -32.0 48.9 133 192 A A H X S+ 0 0 0 -4,-1.9 4,-3.6 2,-0.2 5,-0.4 0.929 112.9 47.7 -64.8 -51.7 -33.8 -29.5 48.8 134 193 A A H X>S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 6,-1.5 0.946 117.1 45.1 -54.4 -47.7 -31.7 -26.4 48.5 135 194 A N H X5S+ 0 0 57 -4,-2.8 4,-1.0 4,-0.3 -2,-0.2 0.946 118.9 42.1 -61.6 -51.4 -29.7 -28.1 45.7 136 195 A H H <5S+ 0 0 90 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.898 124.1 33.6 -62.4 -46.3 -32.8 -29.4 44.0 137 196 A Y H <5S+ 0 0 43 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.857 141.9 5.5 -82.0 -37.7 -35.0 -26.3 44.3 138 197 A F H <5S- 0 0 50 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.472 87.5-121.3-124.0 -13.7 -32.4 -23.4 44.1 139 198 A G S < - 0 0 42 1,-0.2 3,-1.6 -114,-0.1 -114,-0.2 -0.751 60.0-155.5 -77.4 113.4 -22.8 -25.6 53.9 144 203 A K T 3 S+ 0 0 93 -116,-2.4 -1,-0.2 -2,-0.8 -115,-0.1 0.565 88.1 57.2 -67.1 -13.2 -21.4 -22.3 55.1 145 204 A N T 3 S+ 0 0 98 -117,-0.3 -1,-0.3 -3,-0.0 -116,-0.1 0.493 73.3 123.1 -91.8 -9.3 -17.9 -23.4 54.1 146 205 A S < + 0 0 21 -3,-1.6 5,-0.1 1,-0.2 -5,-0.1 -0.263 28.2 172.4 -61.3 136.5 -18.6 -24.1 50.4 147 206 A T S S+ 0 0 144 3,-0.1 -1,-0.2 4,-0.0 4,-0.0 0.421 80.6 59.4-110.1 -4.9 -16.3 -22.0 48.1 148 207 A T S S+ 0 0 135 1,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.810 101.3 47.3 -90.6 -37.1 -17.8 -24.1 45.2 149 208 A M S S- 0 0 63 -6,-0.1 -8,-0.1 1,-0.0 -9,-0.1 -0.843 85.7 -99.0-122.2 145.5 -21.5 -23.4 45.4 150 209 A S - 0 0 83 -11,-0.4 -9,-1.8 -2,-0.3 2,-0.3 -0.354 47.7-118.5 -57.2 136.1 -23.9 -20.5 45.7 151 210 A H B -c 141 0C 66 -11,-0.2 -9,-0.2 1,-0.1 -1,-0.1 -0.597 30.1 -97.9 -82.6 137.9 -25.0 -20.1 49.3 152 211 A I - 0 0 1 -11,-2.5 -1,-0.1 -2,-0.3 2,-0.1 -0.269 44.2-129.9 -57.5 134.1 -28.7 -20.4 50.2 153 212 A T > - 0 0 45 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.301 20.1-105.3 -79.1 171.3 -30.3 -17.0 50.5 154 213 A V H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.926 121.4 48.1 -58.9 -47.1 -32.4 -15.6 53.4 155 214 A L H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 109.9 50.5 -60.5 -50.1 -35.6 -15.9 51.3 156 215 A Q H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 109.2 52.7 -60.8 -38.2 -34.8 -19.5 50.1 157 216 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.876 111.5 45.6 -59.8 -46.9 -34.2 -20.5 53.8 158 217 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 5,-0.3 0.860 110.3 55.5 -62.6 -40.8 -37.6 -19.1 54.8 159 218 A I H X S+ 0 0 10 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.911 111.6 42.1 -61.4 -42.0 -39.2 -20.7 51.9 160 219 A L H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.872 111.6 54.8 -74.7 -35.9 -37.9 -24.2 52.9 161 220 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.723 115.8 39.4 -65.2 -28.4 -38.7 -23.6 56.6 162 221 A S H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.1 4,-0.4 0.751 107.8 65.1 -89.0 -31.5 -42.3 -22.8 55.7 163 222 A K H >< S+ 0 0 6 -4,-1.9 3,-1.6 -5,-0.3 7,-0.3 0.809 86.7 66.9 -63.3 -29.7 -42.4 -25.4 53.1 164 223 A V T 3< S+ 0 0 23 -4,-1.1 -1,-0.3 1,-0.3 -42,-0.2 0.559 86.9 71.2 -76.1 -5.1 -42.0 -28.4 55.5 165 224 A N T < S+ 0 0 84 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.754 126.7 2.0 -74.6 -24.0 -45.4 -27.6 57.0 166 225 A A S X> S+ 0 0 27 -3,-1.6 4,-3.1 -4,-0.4 3,-1.8 -0.306 76.8 168.6-159.6 66.3 -47.1 -28.9 53.8 167 226 A P T 34 S+ 0 0 26 0, 0.0 -42,-0.2 0, 0.0 -3,-0.1 0.657 76.8 49.3 -65.5 -22.3 -44.3 -30.0 51.5 168 227 A S T 34 S+ 0 0 101 -44,-0.1 -4,-0.1 1,-0.1 3,-0.0 0.561 120.9 35.1 -93.1 -10.3 -46.6 -31.7 49.0 169 228 A V T <4 S+ 0 0 116 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.1 0.797 95.6 80.4-110.4 -45.7 -48.8 -28.8 48.7 170 229 A Y < - 0 0 29 -4,-3.1 2,-0.6 -7,-0.3 5,-0.1 -0.459 69.0-157.2 -71.9 126.4 -46.8 -25.7 49.0 171 230 A N - 0 0 77 3,-0.3 5,-0.1 -2,-0.3 -1,-0.1 -0.916 15.5-159.0-117.5 119.2 -45.2 -25.2 45.6 172 231 A I S S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.848 92.4 46.9 -65.0 -37.5 -42.0 -23.2 45.2 173 232 A N S S+ 0 0 159 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.842 124.9 27.8 -71.5 -41.3 -42.5 -22.4 41.5 174 233 A N S S- 0 0 130 0, 0.0 2,-0.3 0, 0.0 -3,-0.3 -0.738 87.1-161.5-125.1 83.1 -46.1 -21.3 41.7 175 234 A M - 0 0 42 -2,-0.4 -3,-0.1 -3,-0.4 -5,-0.1 -0.518 9.3-136.9 -77.2 125.7 -46.6 -20.0 45.2 176 235 A S > - 0 0 56 -2,-0.3 4,-2.8 -5,-0.1 5,-0.1 -0.197 27.2-108.8 -72.7 164.1 -50.1 -19.7 46.6 177 236 A E H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.871 121.2 51.3 -62.3 -35.7 -51.1 -16.6 48.5 178 237 A N H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.948 109.4 47.1 -69.1 -48.8 -51.1 -18.8 51.7 179 238 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 113.1 52.8 -53.3 -52.1 -47.6 -20.2 51.1 180 239 A T H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.879 108.7 47.9 -48.8 -44.2 -46.6 -16.6 50.4 181 240 A Q H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.874 109.7 53.2 -59.7 -46.6 -48.1 -15.4 53.7 182 241 A R H X S+ 0 0 87 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.978 111.6 45.4 -54.1 -54.7 -46.4 -18.2 55.6 183 242 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.887 110.6 53.8 -56.7 -43.9 -42.9 -17.2 54.1 184 243 A S H X S+ 0 0 36 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.922 110.5 46.7 -57.3 -46.4 -43.6 -13.5 54.8 185 244 A T H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.906 109.3 54.5 -63.2 -45.0 -44.3 -14.3 58.5 186 245 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.955 109.4 48.0 -50.9 -54.3 -41.2 -16.5 58.6 187 246 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.929 110.5 51.0 -55.7 -45.3 -39.0 -13.5 57.4 188 247 A E H X S+ 0 0 83 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.939 111.9 46.9 -62.7 -39.2 -40.6 -11.2 59.8 189 248 A K H X S+ 0 0 34 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.855 107.8 55.2 -70.3 -38.3 -39.9 -13.6 62.7 190 249 A M H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 6,-1.1 0.924 112.8 45.6 -54.8 -44.2 -36.3 -14.1 61.5 191 250 A K H ><5S+ 0 0 54 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.984 111.9 49.1 -62.5 -55.1 -36.0 -10.3 61.7 192 251 A Q H 3<5S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 112.4 49.3 -56.1 -26.6 -37.6 -10.1 65.2 193 252 A Q T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.366 115.7-115.8-101.1 6.7 -35.4 -12.8 66.5 194 253 A N T < 5S+ 0 0 144 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.859 80.2 122.0 72.5 37.0 -32.3 -11.2 65.2 195 254 A Y S - 0 0 78 -2,-0.3 4,-3.6 -3,-0.1 5,-0.2 -0.637 38.8 -87.1-117.7-178.9 -31.5 -7.4 59.8 198 257 A E H > S+ 0 0 89 -2,-0.2 4,-3.8 2,-0.2 5,-0.3 0.837 124.4 53.4 -59.8 -36.9 -33.6 -4.9 58.0 199 258 A T H > S+ 0 0 110 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.989 114.4 40.0 -63.6 -59.8 -31.5 -4.9 54.9 200 259 A Q H > S+ 0 0 66 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.941 115.7 53.3 -49.7 -54.7 -31.7 -8.7 54.5 201 260 A Y H X S+ 0 0 29 -4,-3.6 4,-3.3 1,-0.2 -2,-0.2 0.948 113.5 42.0 -45.8 -56.2 -35.4 -8.6 55.5 202 261 A Q H X S+ 0 0 95 -4,-3.8 4,-3.3 1,-0.2 5,-0.2 0.935 113.5 52.0 -65.0 -43.2 -36.1 -6.0 52.8 203 262 A Q H X S+ 0 0 103 -4,-4.0 4,-2.6 -5,-0.3 -1,-0.2 0.940 114.0 44.4 -57.5 -42.0 -34.0 -7.7 50.2 204 263 A A H X S+ 0 0 2 -4,-3.5 4,-2.6 -5,-0.2 -2,-0.2 0.939 112.4 50.4 -68.5 -44.3 -35.8 -10.9 50.9 205 264 A M H X S+ 0 0 22 -4,-3.3 4,-2.8 -5,-0.3 -2,-0.2 0.922 112.0 50.2 -58.1 -40.9 -39.3 -9.2 50.9 206 265 A S H < S+ 0 0 59 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.960 110.8 47.6 -58.2 -51.4 -38.4 -7.6 47.6 207 266 A Q H < S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.892 112.5 49.7 -58.3 -41.2 -37.3 -10.9 46.1 208 267 A L H < 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.944 360.0 360.0 -65.2 -46.4 -40.5 -12.6 47.3 209 268 A N < 0 0 171 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.935 360.0 360.0 -60.2 360.0 -42.7 -9.8 45.9