==== 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 25-FEB-10 3LY1 . COMPND 2 MOLECULE: PUTATIVE HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CAROTOVORA ATROSEPTICA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1393 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1000 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 117 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 463 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.0 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 4 0 1 7 10 8 0 2 4 3 1 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 4 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 PARALLEL BRIDGES PER LADDER . 4 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 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 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 49 A A 0 0 148 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.6 80.5 51.5 -23.5 2 50 A F + 0 0 62 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.448 360.0 177.8 -74.9 136.2 82.3 53.9 -26.0 3 51 A T - 0 0 98 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 -0.972 38.5 -92.9-132.2 147.9 86.1 54.3 -26.0 4 52 A A - 0 0 65 -2,-0.3 302,-0.1 1,-0.1 325,-0.0 -0.292 48.7-116.7 -61.0 139.2 88.3 56.4 -28.2 5 53 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.198 25.7-167.5 -76.3 166.9 89.7 54.5 -31.2 6 54 A S - 0 0 53 3,-0.7 3,-0.4 300,-0.2 299,-0.1 -0.853 44.0 -97.2-134.1 174.4 93.3 53.6 -32.2 7 55 A T S S+ 0 0 99 -2,-0.3 298,-0.1 1,-0.2 299,-0.0 0.785 129.4 47.9 -63.3 -26.2 94.8 52.3 -35.4 8 56 A D S S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.0 298,-0.0 0.655 125.9 28.1 -81.5 -20.8 94.6 48.8 -33.8 9 57 A N S S+ 0 0 102 -3,-0.4 -3,-0.7 2,-0.0 -1,-0.2 -0.453 89.6 174.7-141.4 65.2 91.0 49.3 -32.7 10 58 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 297,-0.2 -0.171 41.7-103.9 -76.5 158.9 89.5 51.8 -35.2 11 59 A I E -a 307 0A 5 295,-3.1 297,-2.9 318,-0.1 2,-0.8 -0.785 40.4-145.6 -74.4 127.6 86.0 53.1 -35.7 12 60 A R E +a 308 0A 92 -2,-0.5 297,-0.1 295,-0.2 3,-0.1 -0.849 44.5 143.6-107.5 98.9 84.8 51.0 -38.7 13 61 A I + 0 0 3 295,-2.4 310,-2.2 -2,-0.8 297,-0.5 -0.368 46.8 96.8-130.0 48.1 82.5 53.0 -40.9 14 62 A N S S+ 0 0 18 295,-0.2 297,-0.4 308,-0.2 295,-0.1 0.620 79.1 38.2-113.8 -21.7 83.7 51.6 -44.1 15 63 A F S S- 0 0 77 -3,-0.1 372,-0.1 295,-0.1 -2,-0.1 0.108 99.4-109.1-129.9 22.6 81.4 48.8 -45.2 16 64 A N + 0 0 1 1,-0.2 2,-0.2 269,-0.1 269,-0.1 0.766 63.1 158.0 52.6 28.9 77.8 49.9 -44.3 17 65 A E - 0 0 6 -5,-0.1 -1,-0.2 1,-0.1 369,-0.1 -0.531 52.6-104.6 -76.3 150.4 77.7 47.3 -41.5 18 66 A N - 0 0 5 367,-0.6 192,-0.1 186,-0.5 307,-0.1 -0.667 25.2-148.7 -75.0 128.5 75.2 47.9 -38.8 19 67 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.548 74.5 86.5 -80.3 -10.7 77.2 49.1 -35.7 20 68 A L S S- 0 0 17 1,-0.1 -2,-0.1 365,-0.1 3,-0.1 -0.603 90.1-107.4 -79.7 145.4 74.8 47.5 -33.4 21 69 A G - 0 0 30 -2,-0.3 -1,-0.1 1,-0.1 361,-0.1 -0.285 49.3 -87.5 -53.2 156.7 75.1 43.9 -32.4 22 70 A X - 0 0 4 359,-0.3 186,-0.1 186,-0.2 -1,-0.1 -0.262 68.7 -65.5 -46.3 153.3 72.5 41.6 -34.0 23 71 A S > - 0 0 0 184,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.172 45.7-122.9 -40.7 137.2 69.2 41.3 -32.0 24 72 A P H > S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.909 115.6 48.9 -54.8 -44.5 69.8 39.6 -28.6 25 73 A K H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.895 111.4 49.8 -60.7 -39.8 67.2 37.0 -29.5 26 74 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 109.5 51.4 -67.3 -37.9 68.9 36.5 -32.9 27 75 A Q H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.922 109.9 49.3 -64.6 -43.6 72.3 36.1 -31.2 28 76 A A H X S+ 0 0 32 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.888 111.9 48.7 -62.1 -41.2 70.9 33.5 -28.8 29 77 A A H X S+ 0 0 21 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.944 112.5 48.6 -61.0 -47.2 69.4 31.6 -31.8 30 78 A A H < S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.875 113.4 46.3 -63.0 -43.5 72.7 31.7 -33.6 31 79 A R H >< S+ 0 0 96 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.917 111.1 52.0 -65.5 -44.5 74.7 30.5 -30.6 32 80 A D H 3< S+ 0 0 108 -4,-2.4 4,-0.4 1,-0.3 3,-0.3 0.716 101.0 63.5 -65.4 -24.2 72.3 27.7 -29.9 33 81 A A T >X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 3,-0.7 0.703 83.7 78.6 -69.5 -22.4 72.5 26.5 -33.5 34 82 A V G X4 S+ 0 0 1 -3,-1.3 3,-1.0 -4,-0.5 335,-0.3 0.904 91.1 49.6 -62.0 -41.1 76.2 25.6 -33.2 35 83 A V G 34 S+ 0 0 80 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.777 114.2 47.9 -63.0 -25.4 75.6 22.3 -31.3 36 84 A K G X4 S+ 0 0 83 -3,-0.7 3,-1.8 -4,-0.4 -1,-0.2 0.615 87.6 90.9 -89.0 -11.7 73.1 21.4 -34.1 37 85 A A T << + 0 0 0 -3,-1.0 521,-2.0 -4,-0.9 522,-0.6 0.209 59.0 83.1 -86.6 11.9 75.4 22.4 -37.0 38 86 A N T 3 S+ 0 0 12 -3,-0.4 519,-0.5 518,-0.2 327,-0.5 0.615 96.7 59.1 -68.4 -17.7 77.0 19.0 -37.5 39 87 A R S < S- 0 0 27 -3,-1.8 2,-0.2 518,-0.1 519,-0.2 -0.758 98.7-102.7-111.4 154.2 73.8 18.6 -39.5 40 88 A Y - 0 0 38 -2,-0.3 2,-1.2 517,-0.1 3,-0.3 -0.558 29.6-124.0 -71.1 142.3 72.4 20.4 -42.4 41 89 A A > + 0 0 3 195,-0.4 4,-2.2 -2,-0.2 5,-0.2 -0.235 57.9 145.6 -83.9 49.7 69.7 22.9 -41.6 42 90 A K H > + 0 0 96 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.917 69.8 34.7 -59.7 -57.9 67.2 21.3 -44.1 43 91 A N H > S+ 0 0 94 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.861 116.4 55.9 -66.6 -33.4 63.9 21.7 -42.3 44 92 A E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 105.2 53.0 -66.3 -37.7 64.8 25.1 -40.8 45 93 A I H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 107.7 51.4 -63.8 -41.1 65.6 26.4 -44.3 46 94 A L H X S+ 0 0 104 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.944 110.5 49.0 -59.4 -46.6 62.1 25.3 -45.5 47 95 A X H X S+ 0 0 88 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.891 110.6 49.0 -61.8 -43.5 60.6 27.1 -42.5 48 96 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.916 110.7 51.9 -61.8 -42.7 62.6 30.4 -43.2 49 97 A G H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.921 111.6 46.7 -58.0 -45.1 61.5 30.2 -46.9 50 98 A N H X S+ 0 0 79 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.887 111.1 51.6 -66.9 -39.1 57.9 29.8 -45.9 51 99 A K H X S+ 0 0 65 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.887 110.9 47.2 -66.2 -39.1 58.2 32.7 -43.4 52 100 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.856 109.4 55.1 -69.7 -34.5 59.7 35.0 -46.1 53 101 A A H <>S+ 0 0 5 -4,-2.0 5,-2.5 -5,-0.2 4,-0.2 0.943 109.5 46.2 -61.9 -47.4 56.9 33.9 -48.5 54 102 A A H ><5S+ 0 0 75 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.917 110.2 54.3 -60.9 -43.0 54.3 35.0 -45.9 55 103 A H H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 115.9 38.0 -58.3 -39.2 56.1 38.3 -45.3 56 104 A H T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.281 110.6-120.2 -97.0 10.1 56.0 39.1 -49.0 57 105 A Q T < 5S+ 0 0 152 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.891 75.7 114.3 45.6 52.9 52.5 37.7 -49.6 58 106 A V S - 0 0 149 -2,-0.3 3,-1.9 -3,-0.1 4,-0.1 -0.522 43.2 -98.2 -91.6 168.7 53.9 31.4 -52.2 60 108 A A G > S+ 0 0 41 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.843 119.4 64.8 -61.1 -33.7 57.2 29.5 -51.3 61 109 A P G 3 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 163,-0.1 0.592 93.8 63.6 -67.2 -6.3 58.2 28.9 -54.9 62 110 A S G < S+ 0 0 10 -3,-1.9 157,-1.8 162,-0.1 2,-0.4 0.275 93.0 77.6 -93.3 4.1 58.6 32.8 -55.2 63 111 A I E < -B 218 0B 7 -3,-2.1 2,-0.5 155,-0.2 155,-0.2 -0.967 54.1-175.8-116.1 131.1 61.4 32.8 -52.6 64 112 A L E -B 217 0B 8 153,-2.0 153,-2.2 -2,-0.4 2,-0.3 -0.970 17.8-146.9-121.3 115.3 65.1 31.8 -53.2 65 113 A L E +B 216 0B 1 -2,-0.5 2,-0.3 151,-0.2 151,-0.3 -0.603 24.0 178.8 -79.2 138.3 67.3 31.9 -50.2 66 114 A T E -B 215 0B 5 149,-2.7 149,-2.9 -2,-0.3 2,-1.7 -0.887 43.3 -97.1-139.8 160.9 70.9 32.8 -50.9 67 115 A A S > S- 0 0 30 -2,-0.3 4,-0.6 147,-0.2 147,-0.3 -0.655 99.5 -37.4 -84.0 85.0 74.1 33.3 -48.9 68 116 A G H >> S- 0 0 0 -2,-1.7 4,-0.8 1,-0.2 3,-0.6 0.115 81.1 -81.8 71.9 166.4 73.7 37.1 -48.7 69 117 A S H 3> S+ 0 0 14 145,-0.3 4,-2.5 1,-0.2 5,-0.2 0.654 121.9 80.5 -74.6 -12.3 72.2 39.1 -51.5 70 118 A S H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 96.2 45.0 -54.0 -44.7 75.7 39.0 -53.1 71 119 A E H - 0 0 43 -2,-0.1 3,-0.9 52,-0.1 -2,-0.0 -0.948 55.5-105.8-154.3 167.4 73.6 35.9 -72.9 83 131 A L T 3 S+ 0 0 131 -2,-0.3 24,-0.2 1,-0.2 -2,-0.0 0.755 123.3 51.6 -66.2 -18.1 76.3 37.2 -75.3 84 132 A E T 3 S+ 0 0 129 22,-0.1 -1,-0.2 2,-0.0 49,-0.1 0.618 93.3 98.8 -91.9 -11.8 73.5 39.3 -76.9 85 133 A A < - 0 0 0 -3,-0.9 22,-1.4 48,-0.1 2,-0.4 -0.320 55.3-155.1 -78.0 150.7 72.3 40.9 -73.6 86 134 A Q E -cd 107 135B 3 48,-2.0 50,-2.4 20,-0.2 2,-0.5 -0.934 11.8-137.7-117.6 149.1 73.2 44.3 -72.2 87 135 A L E -cd 108 136B 0 20,-2.5 22,-3.4 -2,-0.4 2,-0.5 -0.948 17.8-155.8-101.1 128.9 73.2 45.4 -68.5 88 136 A V E +cd 109 137B 0 48,-3.1 50,-1.9 -2,-0.5 22,-0.2 -0.936 27.7 152.9-108.3 120.3 71.7 48.9 -68.1 89 137 A I E -c 110 0B 4 20,-2.2 22,-2.4 -2,-0.5 2,-0.1 -0.973 49.2 -98.3-141.5 154.9 72.8 50.7 -65.0 90 138 A P E -c 111 0B 1 0, 0.0 22,-0.2 0, 0.0 3,-0.1 -0.450 42.3-117.0 -62.2 149.4 73.4 54.2 -63.6 91 139 A E S S+ 0 0 75 20,-2.2 2,-0.6 1,-0.2 21,-0.1 0.806 105.8 48.3 -66.0 -30.9 77.0 55.2 -63.9 92 140 A L S S+ 0 0 5 19,-0.3 2,-0.2 25,-0.1 -1,-0.2 -0.887 86.6 99.5-118.5 97.9 77.4 55.4 -60.0 93 141 A T S S- 0 0 23 -2,-0.6 2,-0.3 -3,-0.1 46,-0.0 -0.860 79.8 -41.4-158.6-173.3 75.9 52.4 -58.3 94 142 A Y > - 0 0 62 -2,-0.2 3,-0.9 1,-0.1 4,-0.4 -0.556 52.4-143.8 -71.0 124.4 76.8 49.1 -56.6 95 143 A G T 3> S+ 0 0 28 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.502 78.8 86.8 -74.9 -9.8 79.4 47.4 -58.7 96 144 A D H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.827 85.7 56.2 -62.5 -33.8 78.5 43.7 -58.5 97 145 A G H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.971 111.2 42.5 -61.0 -53.1 76.0 43.9 -61.3 98 146 A E H > S+ 0 0 46 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.882 112.3 56.7 -55.2 -44.7 78.6 45.2 -63.7 99 147 A H H X S+ 0 0 93 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.926 112.8 37.8 -54.8 -53.7 81.2 42.7 -62.4 100 148 A F H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.819 113.8 57.9 -73.2 -28.6 79.0 39.6 -63.1 101 149 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.3 4,-0.3 0.922 106.5 48.3 -65.9 -41.3 77.8 41.2 -66.3 102 150 A K H ><5S+ 0 0 130 -4,-2.8 3,-1.2 2,-0.2 -2,-0.2 0.891 107.6 54.5 -63.1 -42.9 81.4 41.4 -67.6 103 151 A I H 3<5S+ 0 0 24 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.918 107.3 52.7 -55.6 -41.2 82.1 37.8 -66.6 104 152 A A T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.548 117.0-117.5 -73.8 -6.1 79.1 36.9 -68.7 105 153 A G T < 5 + 0 0 45 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.2 0.692 61.8 153.9 78.7 18.2 80.5 38.8 -71.7 106 154 A X < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 -20,-0.2 -0.489 52.2-107.2 -80.6 146.5 77.6 41.3 -71.8 107 155 A K E -c 86 0B 120 -22,-1.4 -20,-2.5 -24,-0.2 2,-0.5 -0.498 33.2-147.0 -58.1 136.0 77.6 44.8 -73.0 108 156 A V E -c 87 0B 39 -22,-0.2 2,-0.7 -2,-0.2 -20,-0.2 -0.970 11.1-165.8-116.1 117.8 77.5 47.2 -70.0 109 157 A T E -c 88 0B 29 -22,-3.4 -20,-2.2 -2,-0.5 2,-0.4 -0.911 5.0-167.5-111.1 105.0 75.6 50.4 -70.7 110 158 A K E -c 89 0B 91 -2,-0.7 2,-0.5 -22,-0.2 -19,-0.1 -0.807 7.8-151.0 -98.0 133.2 76.1 53.0 -68.1 111 159 A V E -c 90 0B 19 -22,-2.4 -20,-2.2 -2,-0.4 -19,-0.3 -0.920 25.2-113.4-107.9 123.1 73.9 56.1 -68.0 112 160 A K - 0 0 162 -2,-0.5 8,-0.2 -22,-0.2 11,-0.1 -0.141 34.8-110.0 -53.1 141.3 75.4 59.3 -66.6 113 161 A X - 0 0 14 6,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.383 35.9-102.1 -67.8 154.1 73.9 60.6 -63.4 114 162 A L > - 0 0 76 4,-2.7 3,-2.6 1,-0.1 -1,-0.1 -0.306 44.3 -91.5 -68.5 166.6 71.7 63.7 -63.4 115 163 A D T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.521 130.1 51.9 -64.3 -7.9 73.3 67.0 -62.2 116 164 A N T 3 S- 0 0 99 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.201 120.7-106.8-108.6 17.6 72.0 66.2 -58.7 117 165 A W S < S+ 0 0 57 -3,-2.6 -2,-0.1 1,-0.3 31,-0.1 0.474 78.4 133.7 70.9 7.2 73.5 62.6 -58.6 118 166 A A - 0 0 30 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.418 67.8 -85.6 -78.8 160.6 70.0 61.1 -59.0 119 167 A F - 0 0 9 -6,-0.2 2,-1.2 -2,-0.1 3,-0.2 -0.397 30.7-132.4 -61.9 138.6 69.3 58.3 -61.5 120 168 A D > + 0 0 44 -8,-0.2 4,-2.2 -9,-0.2 5,-0.2 -0.750 31.4 177.0 -89.6 83.9 68.5 59.5 -65.0 121 169 A I H > S+ 0 0 11 -2,-1.2 4,-2.9 1,-0.2 5,-0.2 0.904 78.0 53.0 -58.5 -41.2 65.4 57.2 -65.3 122 170 A E H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 109.7 49.7 -60.9 -38.4 64.6 58.7 -68.8 123 171 A G H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 111.1 48.6 -64.7 -40.1 68.2 57.8 -69.9 124 172 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.916 111.6 49.4 -66.3 -45.3 67.9 54.3 -68.5 125 173 A K H X S+ 0 0 62 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.907 111.5 49.7 -56.4 -45.7 64.5 53.8 -70.3 126 174 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.825 105.8 56.7 -64.4 -36.4 66.0 55.1 -73.6 127 175 A A H < S+ 0 0 18 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.883 113.0 41.0 -64.3 -39.4 69.0 52.8 -73.2 128 176 A V H >< S+ 0 0 8 -4,-1.7 3,-1.3 2,-0.2 -2,-0.2 0.916 114.4 50.8 -70.3 -46.3 66.6 49.8 -73.1 129 177 A A H 3< S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.828 108.8 53.1 -63.8 -30.9 64.3 51.1 -75.8 130 178 A A T 3< S+ 0 0 91 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.3 0.588 94.8 82.5 -81.7 -8.7 67.3 51.7 -78.2 131 179 A Y < - 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