==== 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 19-JAN-07 2OLV . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.L.LOVERING,L.DE CASTRO,D.LIM,N.C.J.STRYNADKA . 1235 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 0.2 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 . 79 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 11 1 4 7 3 4 0 8 3 3 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 PARALLEL BRIDGES PER LADDER . 4 7 7 6 0 1 3 0 2 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 . 12 2 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 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 67 A A 0 0 144 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 35.4 -39.8 76.7 -16.2 2 68 A K + 0 0 152 1,-0.2 0, 0.0 81,-0.1 0, 0.0 -0.755 360.0 138.6-118.3 83.2 -36.5 75.3 -14.8 3 69 A L + 0 0 26 -2,-0.6 -1,-0.2 2,-0.1 0, 0.0 0.663 41.1 124.0 -85.5 -23.1 -34.5 77.9 -12.8 4 70 A Q - 0 0 134 -3,-0.2 -2,-0.0 1,-0.1 3,-0.0 -0.087 63.4-132.7 -47.7 127.2 -33.7 75.3 -10.2 5 71 A D - 0 0 17 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.727 33.7-113.1 -76.0 123.6 -30.0 74.7 -9.5 6 72 A P - 0 0 51 0, 0.0 247,-0.2 0, 0.0 24,-0.1 -0.362 27.4-155.5 -65.1 142.1 -29.6 71.0 -9.6 7 73 A I B -a 253 0A 22 245,-1.9 247,-2.1 22,-0.1 248,-0.3 -0.981 18.2-134.4-120.6 116.1 -28.7 69.6 -6.2 8 74 A P - 0 0 19 0, 0.0 244,-0.2 0, 0.0 15,-0.1 -0.268 22.3 -89.1 -84.4 162.6 -26.8 66.3 -6.4 9 75 A A - 0 0 0 242,-1.8 13,-2.9 13,-0.4 2,-0.4 -0.332 33.1-152.7 -69.8 136.6 -27.2 63.0 -4.6 10 76 A K E -Bc 21 256B 54 245,-1.5 247,-2.7 11,-0.2 2,-0.4 -0.933 6.6-158.1-107.2 133.9 -25.3 62.4 -1.3 11 77 A I E -Bc 20 257B 2 9,-3.1 8,-2.6 -2,-0.4 9,-1.1 -0.907 5.2-164.5-107.6 140.2 -24.4 58.9 -0.2 12 78 A Y E -Bc 18 258B 21 245,-2.2 247,-3.5 -2,-0.4 249,-0.3 -0.942 13.0-134.2-122.1 143.8 -23.7 57.9 3.4 13 79 A D > - 0 0 1 4,-1.9 3,-2.6 -2,-0.4 249,-0.2 -0.164 50.7 -72.5 -77.1-176.3 -22.0 54.7 4.8 14 80 A K T 3 S+ 0 0 114 247,-3.4 248,-0.1 1,-0.3 246,-0.1 0.729 133.3 56.7 -53.6 -29.9 -23.3 52.7 7.7 15 81 A N T 3 S- 0 0 98 246,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.459 115.9-114.1 -78.3 -7.8 -22.2 55.4 10.2 16 82 A G S < S+ 0 0 32 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.622 70.0 145.6 74.8 15.1 -24.4 57.9 8.4 17 83 A E - 0 0 92 1,-0.1 -4,-1.9 -4,-0.1 -1,-0.3 -0.713 59.0-106.3 -86.7 133.8 -21.1 59.7 7.5 18 84 A L E +B 12 0B 73 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.362 48.5 162.4 -61.5 135.1 -21.1 61.4 4.0 19 85 A V E + 0 0 17 -8,-2.6 2,-0.3 1,-0.5 -7,-0.2 0.702 58.9 13.3-129.6 -48.6 -18.9 59.3 1.7 20 86 A K E -B 11 0B 29 -9,-1.1 -9,-3.1 205,-0.1 2,-0.5 -0.993 54.3-160.0-138.1 143.4 -19.6 60.3 -1.9 21 87 A T E -B 10 0B 48 -2,-0.3 2,-3.5 -11,-0.2 4,-0.4 -0.974 23.8-133.9-123.7 109.9 -21.5 63.2 -3.3 22 88 A L + 0 0 37 -13,-2.9 -13,-0.4 -2,-0.5 -12,-0.1 -0.156 67.5 120.9 -71.0 59.7 -22.6 62.5 -6.9 23 89 A D S > S- 0 0 49 -2,-3.5 3,-1.8 -15,-0.1 -1,-0.2 0.369 78.8-120.6-102.5 3.3 -21.4 65.9 -8.3 24 90 A N T 3 - 0 0 98 -3,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.813 62.7 -75.2 57.2 32.3 -19.0 64.6 -10.9 25 91 A G T 3 S+ 0 0 24 -4,-0.4 -1,-0.3 1,-0.2 193,-0.2 0.581 87.0 165.4 62.8 12.4 -16.3 66.5 -9.1 26 92 A Q < - 0 0 71 -3,-1.8 2,-2.1 1,-0.1 -1,-0.2 -0.154 50.2-113.6 -69.1 153.0 -17.7 69.7 -10.6 27 93 A R S S+ 0 0 52 99,-0.3 101,-2.1 -3,-0.1 2,-0.3 -0.504 83.3 101.3 -85.6 71.9 -16.7 73.1 -9.4 28 94 A H B +f 128 0C 35 -2,-2.1 2,-0.3 99,-0.2 101,-0.1 -0.965 41.1 176.3-157.5 135.1 -20.2 73.8 -8.1 29 95 A E - 0 0 72 99,-0.5 102,-0.4 -2,-0.3 103,-0.3 -0.952 30.7-125.8-143.5 120.6 -21.9 73.7 -4.7 30 96 A H - 0 0 40 -2,-0.3 2,-0.4 -24,-0.1 89,-0.1 -0.446 28.0-171.0 -65.4 137.0 -25.5 74.8 -4.1 31 97 A V - 0 0 8 84,-0.1 2,-0.1 -2,-0.1 99,-0.1 -0.999 18.3-133.8-130.4 127.7 -25.9 77.4 -1.4 32 98 A N - 0 0 73 -2,-0.4 3,-0.5 1,-0.1 4,-0.2 -0.479 28.3-115.3 -72.0 155.5 -29.3 78.7 -0.0 33 99 A L S > S+ 0 0 13 1,-0.2 3,-1.7 2,-0.2 8,-0.1 0.868 112.5 55.6 -64.0 -40.2 -29.6 82.5 0.3 34 100 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.2 1107,-0.0 4,-0.1 0.810 101.9 58.7 -65.4 -30.3 -29.8 82.6 4.1 35 101 A D T 3 S+ 0 0 76 -3,-0.5 -1,-0.3 2,-0.1 108,-0.2 0.430 87.4 92.0 -76.8 -1.3 -26.5 80.7 4.3 36 102 A V S < S- 0 0 2 -3,-1.7 5,-0.0 -4,-0.2 82,-0.0 -0.851 87.2-112.6 -95.6 127.2 -24.7 83.5 2.3 37 103 A P >> - 0 0 31 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.300 16.4-122.6 -62.8 142.9 -23.2 86.2 4.6 38 104 A K H 3> S+ 0 0 142 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.876 113.2 57.4 -50.6 -45.1 -24.7 89.7 4.5 39 105 A S H 3> S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.924 109.2 45.9 -50.8 -47.6 -21.3 91.1 3.6 40 106 A X H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.960 109.8 51.6 -63.4 -53.3 -21.2 88.8 0.5 41 107 A K H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 111.5 50.6 -51.0 -43.6 -24.8 89.6 -0.5 42 108 A D H X S+ 0 0 22 -4,-2.8 4,-3.6 1,-0.2 5,-0.4 0.977 103.4 55.8 -57.0 -61.3 -23.9 93.3 -0.3 43 109 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.827 113.2 44.0 -44.0 -41.2 -20.7 93.1 -2.4 44 110 A V H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.991 116.7 43.7 -65.8 -61.5 -22.8 91.6 -5.2 45 111 A L H X S+ 0 0 12 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.918 114.6 50.5 -50.1 -51.1 -25.7 94.0 -4.9 46 112 A A H < S+ 0 0 3 -4,-3.6 4,-0.3 1,-0.2 -1,-0.2 0.894 118.7 39.2 -53.0 -41.6 -23.4 97.0 -4.6 47 113 A T H < S+ 0 0 16 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.814 133.2 17.9 -81.9 -31.2 -21.5 95.9 -7.7 48 114 A E H < S- 0 0 26 -4,-2.9 -3,-0.2 -5,-0.1 25,-0.2 0.831 136.9 -4.8-115.4 -50.8 -24.4 94.6 -9.9 49 115 A D >< + 0 0 0 -4,-0.8 3,-0.9 -5,-0.4 -3,-0.2 -0.528 56.1 177.0-150.6 83.1 -27.8 96.0 -8.7 50 116 A N T 3 S+ 0 0 29 -4,-0.3 2,-0.9 1,-0.3 3,-0.4 0.881 84.4 48.8 -54.8 -43.7 -27.7 98.0 -5.5 51 117 A R T 3 S+ 0 0 129 1,-0.2 3,-0.4 -6,-0.1 4,-0.4 -0.314 75.1 130.6 -91.1 50.0 -31.4 98.9 -5.6 52 118 A F < + 0 0 0 -2,-0.9 4,-0.2 -3,-0.9 -1,-0.2 0.840 62.8 54.2 -77.6 -33.2 -32.5 95.3 -6.2 53 119 A Y S S+ 0 0 102 -3,-0.4 -1,-0.2 2,-0.1 57,-0.1 0.574 116.6 37.0 -82.6 -8.8 -35.2 94.9 -3.5 54 120 A E S S+ 0 0 98 -3,-0.4 -2,-0.1 0, 0.0 -3,-0.0 0.742 102.5 75.8 -96.7 -94.9 -37.2 98.0 -4.6 55 121 A H - 0 0 42 -4,-0.4 -3,-0.1 1,-0.1 -2,-0.1 0.350 60.9-160.9 49.8-138.5 -36.9 97.9 -8.4 56 122 A G S S- 0 0 17 -4,-0.2 3,-0.1 54,-0.0 -1,-0.1 -0.396 75.8 -6.1 145.8 -66.5 -39.0 95.3 -10.3 57 123 A A S S- 0 0 12 1,-0.8 45,-0.1 19,-0.1 44,-0.1 -0.443 130.1 -23.5-165.6 77.2 -37.4 94.8 -13.8 58 124 A L S S- 0 0 23 1,-0.1 -1,-0.8 -6,-0.1 15,-0.1 0.368 72.8-104.5 77.0 140.3 -34.5 97.2 -14.4 59 125 A D - 0 0 19 1,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.785 32.3-146.7 -58.2 -31.5 -34.4 100.5 -12.4 60 126 A Y S >> S+ 0 0 167 1,-0.1 3,-1.0 -3,-0.0 4,-0.8 -0.361 95.8 73.3 76.0 -43.3 -35.5 102.5 -15.5 61 127 A K H 3> S+ 0 0 138 -2,-0.7 4,-1.2 1,-0.3 5,-0.1 0.798 94.3 50.6 -62.5 -30.7 -33.2 105.2 -14.0 62 128 A R H 34 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.491 110.8 48.3 -85.8 -5.5 -30.3 103.0 -15.2 63 129 A L H <> S+ 0 0 83 -3,-1.0 4,-0.8 3,-0.1 -2,-0.2 0.423 101.2 67.1-103.2 -6.3 -32.1 103.0 -18.6 64 130 A F H X S+ 0 0 173 -4,-0.8 4,-0.5 2,-0.1 -2,-0.2 0.944 115.0 25.7 -68.7 -53.8 -32.4 106.8 -18.4 65 131 A G H < S+ 0 0 40 -4,-1.2 4,-0.2 2,-0.2 -2,-0.1 0.799 115.5 64.0 -80.8 -32.1 -28.7 107.3 -18.6 66 132 A A H >4 S+ 0 0 19 -4,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.873 103.1 47.2 -64.9 -41.6 -27.7 104.1 -20.5 67 133 A I H 3< S+ 0 0 129 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 94.1 82.7 -66.1 -28.8 -29.7 105.1 -23.7 68 134 A G T 3< 0 0 66 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.562 360.0 360.0 -52.0 -14.2 -28.0 108.5 -23.3 69 135 A K < 0 0 199 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.854 360.0 360.0 -86.4 360.0 -24.9 107.0 -25.1 70 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 71 145 A G 0 0 102 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0-102.1 -25.2 99.7 -20.9 72 146 A A - 0 0 47 -10,-0.2 2,-0.3 2,-0.0 -6,-0.0 -0.980 360.0-169.2-155.0 161.5 -26.3 98.0 -17.7 73 147 A S - 0 0 26 -2,-0.3 2,-0.3 -25,-0.2 3,-0.0 -0.884 20.1-100.7-152.1 179.8 -28.9 95.6 -16.3 74 148 A T >> - 0 0 0 -2,-0.3 4,-4.5 1,-0.1 3,-0.5 -0.802 29.0-112.3-120.7 146.4 -30.5 94.0 -13.2 75 149 A L H 3> S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.848 115.5 53.3 -35.1 -59.4 -30.2 90.7 -11.3 76 150 A T H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 120.4 31.2 -47.0 -55.5 -33.7 89.7 -12.3 77 151 A Q H <> S+ 0 0 17 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.897 113.6 62.1 -75.4 -38.3 -33.1 90.1 -16.0 78 152 A Q H X S+ 0 0 19 -4,-4.5 4,-0.9 1,-0.2 -2,-0.2 0.894 108.3 46.0 -50.6 -41.1 -29.4 89.2 -15.6 79 153 A V H >< S+ 0 0 8 -4,-3.3 3,-0.7 -5,-0.3 4,-0.5 0.906 105.8 58.2 -67.0 -44.8 -30.8 85.8 -14.4 80 154 A V H >< S+ 0 0 3 -4,-1.6 3,-1.4 1,-0.3 -2,-0.2 0.888 102.7 54.7 -54.7 -44.3 -33.3 85.6 -17.3 81 155 A K H 3X S+ 0 0 74 -4,-2.5 4,-1.6 1,-0.3 -1,-0.3 0.846 105.6 53.2 -52.9 -39.5 -30.4 85.9 -19.8 82 156 A D T << S+ 0 0 85 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.423 85.3 80.1 -87.5 1.2 -28.8 82.9 -18.0 83 157 A A T <4 S- 0 0 61 -3,-1.4 -1,-0.3 -4,-0.5 -3,-0.1 -0.423 128.1 -89.3 -85.3 51.8 -32.1 80.9 -18.5 84 158 A F T 4 + 0 0 154 -2,-0.4 2,-0.3 1,-0.1 -2,-0.2 0.897 60.8 172.8 27.8 92.4 -30.4 80.6 -21.9 85 159 A L < - 0 0 19 -4,-1.6 -1,-0.1 1,-0.4 12,-0.1 -0.579 52.6 -96.3-110.9 64.5 -31.5 83.4 -24.2 86 160 A S - 0 0 69 -2,-0.3 -1,-0.4 1,-0.1 -2,-0.0 0.193 29.4 -95.9 61.3-178.4 -29.1 82.6 -27.2 87 161 A Q S S+ 0 0 159 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.450 100.2 85.5-112.4 -12.1 -25.7 84.1 -28.0 88 162 A H + 0 0 143 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.701 52.3 162.1 -81.5 145.0 -27.0 86.7 -30.4 89 163 A K >> + 0 0 121 -2,-0.3 3,-2.3 3,-0.1 4,-0.9 0.473 19.2 139.0-126.5 -94.7 -28.2 90.0 -28.7 90 164 A S T 34 S- 0 0 88 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.875 104.3 -48.5 32.8 73.9 -28.7 93.4 -30.4 91 165 A I T 34 S+ 0 0 127 1,-0.1 -1,-0.3 3,-0.0 4,-0.1 0.524 133.0 89.7 47.3 13.7 -32.0 94.4 -28.6 92 166 A G T <> S+ 0 0 35 -3,-2.3 4,-1.6 2,-0.2 3,-0.3 0.881 90.4 36.9 -97.5 -58.0 -33.3 90.8 -29.4 93 167 A R H X S+ 0 0 45 -4,-0.9 4,-3.1 1,-0.2 3,-0.2 0.940 119.6 53.7 -50.9 -49.0 -32.1 89.0 -26.3 94 168 A K H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.740 102.4 58.7 -60.3 -28.3 -32.9 92.2 -24.5 95 169 A A H > S+ 0 0 61 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.937 115.5 31.7 -68.2 -50.3 -36.5 92.1 -25.9 96 170 A Q H >X S+ 0 0 114 -4,-1.6 4,-3.0 -3,-0.2 3,-0.6 0.913 115.9 60.4 -72.2 -46.6 -37.4 88.7 -24.4 97 171 A E H 3X S+ 0 0 9 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.873 103.7 52.2 -40.2 -47.7 -35.1 89.4 -21.4 98 172 A A H 3X S+ 0 0 46 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.830 114.7 38.3 -67.2 -38.4 -37.2 92.4 -20.6 99 173 A Y H X S+ 0 0 132 -4,-2.2 4,-0.7 2,-0.2 3,-0.6 0.921 112.2 47.7 -64.0 -48.0 -43.1 87.5 -15.6 104 178 A L H 3X S+ 0 0 16 -4,-3.2 4,-2.6 1,-0.2 3,-0.5 0.833 107.4 56.6 -66.1 -34.0 -40.4 86.0 -13.4 105 179 A E H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 106.6 50.5 -68.0 -25.3 -40.9 88.7 -10.8 106 180 A Q H << S+ 0 0 171 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.605 118.0 38.1 -88.8 -13.5 -44.6 87.8 -10.6 107 181 A E H < S+ 0 0 116 -4,-0.7 2,-0.3 -3,-0.5 -2,-0.2 0.727 118.6 43.9-101.9 -31.5 -43.8 84.1 -10.1 108 182 A Y S < S- 0 0 79 -4,-2.6 -1,-0.2 -5,-0.1 2,-0.0 -0.888 78.2-119.5-122.5 147.9 -40.7 84.3 -7.8 109 183 A S > - 0 0 66 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.296 34.8-104.7 -76.0 165.3 -39.8 86.3 -4.8 110 184 A K H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.900 120.6 51.4 -56.2 -41.6 -36.8 88.6 -4.7 111 185 A D H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.951 104.9 52.3 -66.2 -50.6 -34.9 86.1 -2.6 112 186 A D H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.789 112.5 49.1 -55.5 -27.3 -35.4 83.1 -4.8 113 187 A I H X S+ 0 0 3 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.919 109.6 48.9 -78.0 -47.8 -34.1 85.2 -7.7 114 188 A F H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.868 111.5 53.5 -54.8 -38.0 -31.0 86.4 -5.9 115 189 A Q H X S+ 0 0 35 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.972 106.0 48.3 -64.2 -56.0 -30.4 82.8 -4.9 116 190 A V H X S+ 0 0 19 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.855 112.2 53.8 -55.2 -33.8 -30.5 81.4 -8.5 117 191 A Y H >X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 3,-0.5 0.998 106.4 49.2 -58.1 -61.8 -28.1 84.2 -9.3 118 192 A L H 3< S+ 0 0 2 -4,-2.7 12,-2.1 1,-0.3 13,-0.5 0.552 118.1 43.1 -62.1 -6.4 -25.7 83.2 -6.6 119 193 A N H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.784 116.8 37.3-103.2 -37.5 -25.8 79.6 -7.8 120 194 A K H << S+ 0 0 70 -4,-2.3 -3,-0.2 -3,-0.5 -2,-0.1 0.896 83.6 103.1 -91.3 -38.6 -25.7 79.8 -11.6 121 195 A I < - 0 0 12 -4,-1.6 8,-2.6 -5,-0.3 2,-0.3 0.066 69.9-108.6 -57.4 157.3 -23.3 82.6 -12.7 122 196 A Y B +G 128 0C 88 6,-0.2 6,-0.2 35,-0.2 -1,-0.1 -0.618 28.6 178.4 -97.8 143.5 -19.8 81.9 -14.0 123 197 A Y - 0 0 0 4,-2.8 5,-0.1 -2,-0.3 -1,-0.1 0.116 51.5 -98.6-128.0 19.9 -16.4 82.5 -12.3 124 198 A S S > S+ 0 0 3 3,-0.2 3,-1.9 33,-0.1 -1,-0.2 0.194 100.2 57.9 73.3 160.7 -13.8 81.2 -14.7 125 199 A D T 3 S- 0 0 31 1,-0.3 -98,-0.1 -3,-0.1 -1,-0.0 0.838 133.2 -62.2 48.0 39.1 -12.0 77.8 -14.7 126 200 A G T 3 S+ 0 0 31 1,-0.2 2,-0.5 -100,-0.0 -99,-0.3 0.446 95.1 147.5 77.4 1.0 -15.4 76.0 -14.8 127 201 A V < - 0 0 0 -3,-1.9 -4,-2.8 -101,-0.1 2,-0.5 -0.590 24.8-173.6 -80.9 117.2 -16.5 77.4 -11.5 128 202 A T B +fG 28 122C 43 -101,-2.1 -99,-0.5 -2,-0.5 4,-0.3 -0.943 49.7 12.6-110.6 124.6 -20.3 78.1 -11.3 129 203 A G S > S- 0 0 0 -8,-2.6 4,-2.0 -2,-0.5 3,-0.3 0.220 79.7 -93.6 92.9 151.0 -21.7 79.8 -8.2 130 204 A I H > S+ 0 0 0 -12,-2.1 4,-2.2 1,-0.2 5,-0.2 0.831 116.6 60.1 -70.5 -36.1 -20.3 81.7 -5.3 131 205 A K H > S+ 0 0 59 -13,-0.5 4,-1.4 -102,-0.4 -1,-0.2 0.881 111.3 44.0 -62.5 -34.9 -20.0 78.9 -2.8 132 206 A A H > S+ 0 0 5 -3,-0.3 4,-2.9 -103,-0.3 -2,-0.2 0.922 106.8 58.7 -73.5 -48.4 -17.6 77.2 -5.2 133 207 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.5 0.919 107.0 49.3 -43.5 -51.6 -15.7 80.4 -6.0 134 208 A A H X>S+ 0 0 0 -4,-2.2 6,-1.7 1,-0.2 4,-1.7 0.904 112.8 43.3 -62.1 -49.0 -14.8 80.7 -2.3 135 209 A K H X5S+ 0 0 83 -4,-1.4 4,-0.8 4,-0.3 -1,-0.2 0.876 117.8 50.5 -64.8 -35.6 -13.6 77.1 -1.7 136 210 A Y H <5S+ 0 0 19 -4,-2.9 71,-0.2 2,-0.2 -2,-0.2 0.990 119.4 27.2 -65.0 -76.8 -11.7 77.3 -5.1 137 211 A Y H <5S+ 0 0 0 -4,-2.0 70,-2.1 1,-0.2 -3,-0.2 0.810 143.3 14.0 -59.6 -35.6 -9.7 80.5 -4.9 138 212 A F H <5S- 0 0 3 -4,-1.7 -1,-0.2 -5,-0.5 -3,-0.2 0.490 86.5-127.3-122.0 -5.4 -9.3 80.7 -1.1 139 213 A N << + 0 0 108 -4,-0.8 2,-0.4 -5,-0.6 -4,-0.3 0.824 69.1 137.1 54.8 33.0 -10.3 77.3 0.3 140 214 A K - 0 0 40 -6,-1.7 -1,-0.2 65,-0.0 2,-0.2 -0.867 59.1-130.2-113.6 139.1 -12.6 79.4 2.5 141 215 A D - 0 0 55 -2,-0.4 3,-0.5 3,-0.2 -10,-0.0 -0.568 36.1-113.4 -73.2 152.0 -16.2 78.9 3.6 142 216 A L S > S+ 0 0 7 1,-0.2 3,-0.6 -2,-0.2 -1,-0.1 0.933 109.9 66.5 -55.8 -47.8 -18.1 82.1 2.9 143 217 A K T 3 S+ 0 0 114 1,-0.3 2,-0.7 -108,-0.2 -1,-0.2 0.823 105.5 41.3 -46.2 -46.0 -18.7 82.8 6.7 144 218 A D T 3 S+ 0 0 89 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.639 87.8 107.7-108.8 74.7 -15.0 83.4 7.4 145 219 A L < - 0 0 17 -2,-0.7 -11,-0.0 -3,-0.6 -3,-0.0 -0.987 60.4-120.1-144.5 145.4 -13.6 85.4 4.5 146 220 A N > - 0 0 54 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.130 29.1-100.0 -83.8 175.5 -12.6 89.1 4.4 147 221 A L H > S+ 0 0 39 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.828 117.9 57.2 -66.3 -35.4 -13.9 92.1 2.4 148 222 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.962 109.7 45.9 -56.7 -52.8 -11.0 92.0 -0.2 149 223 A E H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 115.2 47.0 -56.3 -47.4 -11.9 88.4 -1.0 150 224 A E H X S+ 0 0 4 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.930 109.8 52.9 -63.2 -48.1 -15.6 89.3 -1.2 151 225 A A H X S+ 0 0 0 -4,-3.5 4,-2.7 2,-0.2 -2,-0.2 0.963 112.1 45.9 -48.3 -57.5 -15.0 92.4 -3.4 152 226 A Y H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.945 114.5 45.5 -54.3 -57.5 -13.0 90.3 -5.8 153 227 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.894 113.1 51.7 -54.6 -43.4 -15.5 87.4 -6.0 154 228 A A H < S+ 0 0 2 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.900 113.6 46.0 -58.3 -40.5 -18.3 89.9 -6.3 155 229 A G H >< S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.3 4,-0.4 0.807 95.2 78.2 -70.3 -30.0 -16.4 91.5 -9.2 156 230 A L G >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.3 7,-0.2 0.825 78.0 64.4 -60.4 -46.0 -15.5 88.4 -11.1 157 231 A P G 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 0.459 86.1 76.2 -63.5 -1.0 -18.7 87.5 -13.0 158 232 A Q G < S- 0 0 94 -3,-1.5 -2,-0.1 1,-0.2 -3,-0.1 0.945 129.1 -12.2 -71.8 -51.1 -18.6 90.7 -15.1 159 233 A V S X> S+ 0 0 55 -3,-1.0 4,-1.6 -4,-0.4 3,-0.6 -0.456 80.9 179.5-143.3 66.6 -15.8 89.4 -17.4 160 234 A P H >> S+ 0 0 19 0, 0.0 3,-1.3 0, 0.0 4,-1.1 0.823 76.8 46.5 -40.7 -62.8 -14.6 86.3 -15.5 161 235 A N H >4 S+ 0 0 99 1,-0.3 3,-0.7 2,-0.2 7,-0.2 0.871 114.8 48.4 -53.7 -43.2 -11.8 85.0 -17.8 162 236 A N H <4 S+ 0 0 104 -3,-0.6 -1,-0.3 1,-0.2 9,-0.1 0.764 118.0 41.9 -65.7 -25.8 -10.4 88.6 -18.1 163 237 A Y H << S+ 0 0 46 -4,-1.6 2,-0.4 -3,-1.3 -2,-0.2 0.384 78.0 128.0-104.0 0.9 -10.5 89.0 -14.3 164 238 A N XX - 0 0 1 -4,-1.1 4,-2.7 -3,-0.7 3,-0.9 -0.469 54.5-144.4 -63.3 116.4 -9.2 85.6 -13.2 165 239 A I T 34 S+ 0 0 14 -2,-0.4 -1,-0.2 1,-0.3 7,-0.1 0.803 94.2 59.5 -55.0 -39.8 -6.3 86.3 -10.8 166 240 A Y T 34 S+ 0 0 49 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.910 120.7 27.3 -57.9 -42.1 -4.1 83.3 -11.9 167 241 A D T <4 S+ 0 0 90 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.1 0.946 137.5 20.1 -83.6 -56.9 -4.1 84.7 -15.5 168 242 A H X + 0 0 77 -4,-2.7 4,-2.5 -7,-0.2 3,-0.3 -0.547 64.8 160.2-118.9 66.5 -4.5 88.5 -15.2 169 243 A P H > S+ 0 0 68 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.876 78.6 53.2 -58.5 -42.4 -3.6 89.5 -11.5 170 244 A K H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.927 112.8 45.5 -54.7 -45.5 -3.1 93.2 -12.5 171 245 A A H > S+ 0 0 32 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.886 112.8 50.4 -66.6 -40.1 -6.6 93.2 -14.0 172 246 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.923 107.7 53.4 -64.0 -46.6 -8.1 91.3 -11.0 173 247 A E H X S+ 0 0 66 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.962 110.2 47.0 -52.0 -55.2 -6.5 93.8 -8.6 174 248 A D H X S+ 0 0 101 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.786 113.3 49.2 -60.3 -31.1 -8.1 96.8 -10.5 175 249 A R H X S+ 0 0 12 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.866 110.2 48.9 -78.0 -39.4 -11.5 95.0 -10.6 176 250 A K H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.905 110.3 54.9 -60.1 -42.7 -11.5 94.2 -6.9 177 251 A N H X S+ 0 0 69 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.874 107.8 46.8 -58.3 -42.6 -10.5 97.8 -6.3 178 252 A T H X S+ 0 0 69 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.812 109.1 55.4 -73.0 -29.4 -13.5 99.2 -8.3 179 253 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.933 107.2 49.1 -66.4 -45.4 -15.9 96.8 -6.4 180 254 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 110.0 52.5 -57.4 -45.5 -14.7 98.1 -3.1 181 255 A Y H X S+ 0 0 119 -4,-1.9 4,-3.3 1,-0.2 -1,-0.2 0.886 109.6 48.6 -57.5 -41.7 -15.3 101.7 -4.5 182 256 A L H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.861 109.1 52.4 -67.4 -36.8 -18.9 100.7 -5.5 183 257 A X H <>S+ 0 0 4 -4,-2.3 5,-2.5 2,-0.2 6,-0.9 0.861 115.5 42.0 -67.8 -36.0 -19.5 99.2 -2.0 184 258 A H H ><5S+ 0 0 50 -4,-2.2 3,-3.1 4,-0.2 -2,-0.2 0.964 111.4 53.9 -67.9 -55.4 -18.4 102.4 -0.5 185 259 A Y H 3<5S+ 0 0 151 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.805 111.2 47.4 -51.3 -36.3 -20.2 104.7 -3.0 186 260 A H T 3<5S- 0 0 58 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.159 115.6-115.8 -93.0 14.7 -23.5 102.8 -2.2 187 261 A K T < 5S+ 0 0 198 -3,-3.1 -3,-0.2 2,-0.2 -2,-0.1 0.717 76.3 130.8 60.5 25.4 -22.9 103.1 1.6 188 262 A R S - 0 0 73 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.175 31.7-105.7 -77.0 168.8 -18.1 102.6 6.2 191 265 A D H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 117.9 51.4 -58.7 -41.5 -15.1 105.0 5.5 192 266 A K H > S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.963 112.1 41.5 -65.1 -55.5 -13.0 103.1 8.1 193 267 A Q H > S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.725 114.7 53.4 -70.9 -21.0 -13.5 99.5 6.9 194 268 A W H X S+ 0 0 47 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.926 113.0 42.2 -71.7 -48.7 -13.2 100.6 3.2 195 269 A E H < S+ 0 0 105 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.726 119.1 47.1 -69.9 -21.5 -9.8 102.4 3.9 196 270 A D H < S+ 0 0 100 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.648 113.2 49.1 -88.3 -21.4 -8.9 99.3 6.0 197 271 A A H >< S+ 0 0 3 -4,-0.9 3,-0.7 -5,-0.2 -2,-0.2 0.870 102.5 58.2 -82.0 -42.4 -10.1 96.9 3.3 198 272 A K T 3< S+ 0 0 82 -4,-2.5 2,-0.2 1,-0.3 -1,-0.1 0.691 96.7 64.6 -68.0 -17.8 -8.2 98.4 0.3 199 273 A K T 3 S+ 0 0 162 -4,-0.3 2,-0.4 -5,-0.2 -1,-0.3 -0.253 83.1 107.5 -96.1 44.0 -4.9 97.9 2.1 200 274 A I S < S- 0 0 49 -3,-0.7 2,-0.4 -2,-0.2 3,-0.1 -0.965 73.7-117.7-124.9 139.2 -5.2 94.1 2.1 201 275 A D > - 0 0 93 -2,-0.4 3,-1.4 1,-0.2 4,-0.2 -0.634 14.7-154.7 -77.7 123.9 -3.2 91.7 -0.1 202 276 A L T 3 S+ 0 0 8 -2,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.899 96.4 62.1 -65.8 -40.0 -5.6 89.7 -2.3 203 277 A K T > S+ 0 0 145 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.447 74.4 120.9 -63.5 0.3 -3.1 86.9 -2.5 204 278 A A T < S- 0 0 60 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.844 94.8 -2.4 -26.7 -82.2 -3.7 86.7 1.3 205 279 A N T 3 S+ 0 0 90 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.3 -0.319 93.5 152.8-111.9 48.5 -5.0 83.1 1.5 206 280 A L < - 0 0 29 -3,-1.8 2,-0.4 -67,-0.0 -68,-0.2 -0.681 46.8-126.7 -75.9 123.7 -4.8 82.5 -2.3 207 281 A V - 0 0 37 -70,-2.1 2,-0.2 -2,-0.5 -68,-0.1 -0.598 27.5-123.9 -72.5 125.7 -4.3 78.8 -2.9 208 282 A N + 0 0 141 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.481 42.0 158.2 -77.5 142.2 -1.3 78.3 -5.2 209 283 A R - 0 0 78 -2,-0.2 3,-0.0 -43,-0.0 -1,-0.0 -0.948 32.7-128.7-156.7 169.2 -1.7 76.4 -8.5 210 284 A T >> - 0 0 76 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.904 37.0-102.0-126.4 153.4 -0.5 75.7 -12.0 211 285 A P H >> S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.812 113.8 51.5 -38.1 -57.2 -2.4 75.6 -15.4 212 286 A E H 34 S+ 0 0 154 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.639 105.8 55.6 -71.5 -15.0 -2.9 71.9 -15.9 213 287 A E H <4 S+ 0 0 97 -3,-1.4 3,-0.3 2,-0.2 -1,-0.3 0.805 106.7 52.4 -75.4 -32.7 -4.4 71.4 -12.5 214 288 A R H << S+ 0 0 24 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.1 0.523 111.6 43.6 -85.2 -11.1 -7.0 74.1 -13.4 215 289 A Q S < S+ 0 0 129 -4,-0.7 2,-1.3 1,-0.1 -1,-0.2 0.294 91.8 99.7-106.9 0.9 -8.0 72.4 -16.6 216 290 A N - 0 0 91 -3,-0.3 2,-1.4 -5,-0.2 -1,-0.1 -0.705 50.8-178.6 -87.6 79.2 -8.0 69.1 -14.7 217 291 A I - 0 0 85 -2,-1.3 2,-1.3 2,-0.0 -191,-0.1 -0.735 23.1-150.0 -64.5 89.3 -11.7 68.7 -14.1 218 292 A D + 0 0 66 -2,-1.4 3,-0.3 -193,-0.2 -2,-0.1 -0.569 25.2 173.9 -81.0 95.8 -11.0 65.4 -12.1 219 293 A T + 0 0 75 -2,-1.3 -1,-0.2 1,-0.2 -194,-0.1 0.136 64.1 65.9 -89.9 18.9 -14.2 63.3 -12.7 220 294 A N > + 0 0 49 -195,-0.1 3,-0.5 -196,-0.1 2,-0.3 -0.394 66.0 152.9-137.6 61.3 -12.9 60.1 -11.0 221 295 A Q T 3 + 0 0 91 -3,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.652 67.8 8.6-100.0 150.6 -12.4 60.9 -7.3 222 296 A D T > S+ 0 0 80 -2,-0.3 3,-3.6 1,-0.2 4,-0.4 0.917 80.4 179.3 49.0 43.7 -12.6 58.5 -4.3 223 297 A S G X + 0 0 39 -3,-0.5 3,-0.6 1,-0.3 4,-0.3 0.606 63.6 81.1 -61.6 -5.6 -12.7 56.1 -7.2 224 298 A E G 3 S+ 0 0 29 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.789 90.3 51.5 -65.2 -24.1 -12.9 53.4 -4.7 225 299 A Y G <> S+ 0 0 6 -3,-3.6 4,-3.1 1,-0.2 3,-0.4 0.669 78.0 100.5 -90.0 -14.5 -16.6 54.0 -4.3 226 300 A N H <> S+ 0 0 17 -3,-0.6 4,-1.6 -4,-0.4 -1,-0.2 0.818 88.7 38.6 -36.9 -57.8 -17.4 53.9 -8.0 227 301 A S H > S+ 0 0 0 -4,-0.3 4,-1.4 -3,-0.3 -1,-0.3 0.858 113.6 52.3 -67.9 -39.2 -18.8 50.3 -7.8 228 302 A Y H > S+ 0 0 0 -3,-0.4 4,-1.1 -4,-0.4 -2,-0.2 0.838 113.5 51.6 -64.9 -31.2 -20.6 50.6 -4.3 229 303 A V H X S+ 0 0 6 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.880 102.3 53.9 -66.5 -43.4 -22.2 53.6 -6.0 230 304 A N H X S+ 0 0 32 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.819 107.9 53.4 -70.6 -23.7 -23.4 51.9 -9.1 231 305 A F H X S+ 0 0 19 -4,-1.4 4,-2.3 2,-0.2 -1,-0.3 0.858 105.9 51.8 -72.5 -35.0 -25.1 49.4 -6.8 232 306 A V H X S+ 0 0 1 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.996 106.9 54.6 -62.4 -55.8 -26.9 52.3 -5.1 233 307 A K H X S+ 0 0 48 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.826 110.3 47.2 -42.4 -42.8 -28.1 53.6 -8.5 234 308 A S H >X S+ 0 0 68 -4,-1.4 4,-1.0 1,-0.2 3,-0.6 0.972 116.0 40.9 -67.3 -54.0 -29.6 50.2 -9.3 235 309 A E H 3< S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.792 103.0 70.8 -68.5 -29.4 -31.4 49.7 -6.0 236 310 A L H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 6,-0.2 0.904 103.3 41.7 -49.4 -46.3 -32.6 53.3 -5.8 237 311 A X H << S+ 0 0 27 -4,-0.9 2,-2.1 -3,-0.6 -1,-0.2 0.774 94.4 80.8 -84.7 -27.1 -35.0 52.9 -8.7 238 312 A N S < S+ 0 0 112 -4,-1.0 2,-0.3 4,-0.1 -1,-0.2 -0.485 78.5 89.0 -76.7 68.7 -36.4 49.4 -7.7 239 313 A N S > S- 0 0 30 -2,-2.1 3,-1.9 1,-0.1 227,-0.0 -0.889 84.4-112.7-161.9 138.6 -38.8 50.9 -5.1 240 314 A K T 3> S+ 0 0 187 -2,-0.3 4,-0.5 1,-0.3 -1,-0.1 0.826 109.6 60.7 -26.7 -64.7 -42.4 52.1 -5.2 241 315 A A T 34 S+ 0 0 39 2,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.703 120.2 19.5 -54.1 -27.9 -41.7 55.8 -4.6 242 316 A F T <4 S+ 0 0 11 -3,-1.9 2,-4.2 -6,-0.2 -5,-0.1 0.327 86.1 86.1-107.0-123.9 -39.6 56.0 -7.7 243 317 A K T 4 S+ 0 0 154 1,-0.3 4,-0.1 -6,-0.2 -3,-0.1 -0.114 89.7 67.9 51.6 -57.2 -39.5 53.7 -10.8 244 318 A D S < S+ 0 0 147 -2,-4.2 -1,-0.3 -4,-0.5 2,-0.1 0.699 102.3 74.2 -47.0 -20.8 -42.4 55.7 -12.3 245 319 A E S S- 0 0 108 -8,-0.1 2,-0.7 1,-0.0 3,-0.1 -0.334 90.8-102.1-105.1 175.9 -39.5 58.3 -12.4 246 320 A N >> - 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0 0 67 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.268 34.8-105.3 -75.3 165.4 -0.2 19.4 47.5 730 184 B K H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.863 120.5 51.2 -59.4 -35.9 -3.2 17.1 47.9 731 185 B D H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.941 105.0 53.0 -70.1 -48.4 -5.2 19.9 49.5 732 186 B D H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.830 112.1 48.7 -55.4 -30.0 -4.5 22.5 46.8 733 187 B I H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.921 109.9 48.8 -76.7 -45.9 -5.8 19.9 44.3 734 188 B F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.845 111.3 54.3 -55.7 -36.5 -9.0 19.1 46.3 735 189 B Q H X S+ 0 0 41 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.988 106.4 46.7 -65.0 -58.3 -9.5 22.8 46.5 736 190 B V H >X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 3,-0.5 0.860 113.1 53.9 -53.0 -36.5 -9.4 23.6 42.8 737 191 B Y H 3X S+ 0 0 4 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.997 106.2 49.3 -56.7 -60.8 -11.7 20.6 42.4 738 192 B L H 3< S+ 0 0 1 -4,-2.6 12,-2.3 1,-0.2 13,-0.5 0.555 118.5 42.9 -63.7 -4.7 -14.3 22.0 44.8 739 193 B N H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.795 116.0 38.1-105.1 -37.3 -14.1 25.3 42.9 740 194 B K H < S+ 0 0 75 -4,-2.5 -3,-0.1 -3,-0.4 -2,-0.1 0.883 83.8 104.8 -88.0 -39.1 -14.1 24.5 39.2 741 195 B I < - 0 0 10 -4,-1.6 8,-2.5 -5,-0.3 2,-0.3 0.085 69.5-110.7 -56.4 156.1 -16.5 21.5 38.7 742 196 B Y B +Y 748 0N 101 6,-0.2 6,-0.2 35,-0.2 -1,-0.1 -0.616 28.0 178.9 -97.8 145.0 -20.0 22.0 37.2 743 197 B Y - 0 0 1 4,-2.6 5,-0.1 1,-0.3 -1,-0.1 0.136 50.7-100.2-128.9 20.6 -23.3 21.6 38.9 744 198 B S S > S+ 0 0 6 3,-0.2 3,-2.2 33,-0.1 -1,-0.3 0.136 99.7 59.8 71.0 165.2 -25.9 22.5 36.1 745 199 B D T 3 S- 0 0 33 1,-0.3 -99,-0.1 -3,-0.1 -1,-0.0 0.806 132.1 -64.2 47.8 35.3 -27.8 25.8 35.5 746 200 B G T 3 S+ 0 0 29 1,-0.2 2,-0.5 -101,-0.0 -1,-0.3 0.421 95.3 145.1 79.9 -0.4 -24.4 27.5 35.1 747 201 B V < - 0 0 0 -3,-2.2 -4,-2.6 -102,-0.1 2,-0.5 -0.595 26.6-172.4 -84.9 121.2 -23.3 26.9 38.7 748 202 B T B +xY 647 742N 43 -102,-2.2 -100,-0.5 -2,-0.5 4,-0.3 -0.938 49.4 15.3-111.9 126.8 -19.5 26.2 39.2 749 203 B G S > S- 0 0 0 -8,-2.5 4,-2.0 -2,-0.5 -10,-0.2 0.147 79.9 -93.6 95.3 152.8 -18.1 25.1 42.5 750 204 B I H > S+ 0 0 0 -12,-2.3 4,-1.9 1,-0.2 5,-0.2 0.784 116.8 60.0 -73.3 -32.5 -19.6 23.7 45.8 751 205 B K H > S+ 0 0 66 -13,-0.5 4,-1.4 -103,-0.4 -1,-0.2 0.887 111.0 44.0 -64.5 -35.8 -20.0 27.0 47.6 752 206 B A H > S+ 0 0 4 -104,-0.3 4,-3.1 -4,-0.3 -2,-0.2 0.932 106.4 59.5 -73.3 -48.7 -22.3 28.2 44.9 753 207 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-0.5 0.910 107.3 48.2 -43.0 -50.3 -24.2 24.9 44.7 754 208 B A H X>S+ 0 0 0 -4,-1.9 6,-1.8 1,-0.2 4,-1.7 0.921 113.5 43.6 -64.7 -48.1 -25.3 25.2 48.3 755 209 B K H X5S+ 0 0 85 -4,-1.4 4,-0.9 4,-0.3 -1,-0.2 0.898 117.8 50.0 -62.9 -37.9 -26.5 28.8 48.1 756 210 B Y H <5S+ 0 0 22 -4,-3.1 71,-0.2 2,-0.2 -2,-0.2 0.984 119.7 27.3 -64.3 -77.6 -28.2 28.0 44.9 757 211 B Y H <5S+ 0 0 0 -4,-1.8 70,-2.0 1,-0.2 -3,-0.2 0.804 143.0 14.0 -59.7 -35.7 -30.2 24.9 45.6 758 212 B F H <5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.5 -3,-0.2 0.492 86.8-126.5-122.7 -3.5 -30.7 25.4 49.3 759 213 B N << + 0 0 108 -4,-0.9 2,-0.4 -5,-0.7 -4,-0.3 0.824 69.1 138.2 57.1 30.9 -29.8 29.1 50.1 760 214 B K - 0 0 35 -6,-1.8 -1,-0.2 65,-0.0 2,-0.2 -0.869 58.9-130.7-113.4 138.0 -27.5 27.4 52.7 761 215 B D - 0 0 64 -2,-0.4 3,-0.5 3,-0.2 -10,-0.0 -0.560 35.9-115.0 -69.6 150.4 -24.0 28.1 53.8 762 216 B L S > S+ 0 0 7 1,-0.2 3,-0.6 -2,-0.2 -1,-0.1 0.943 109.3 67.4 -57.0 -46.6 -22.1 24.9 53.8 763 217 B K T 3 S+ 0 0 158 1,-0.3 2,-0.7 -109,-0.2 -1,-0.2 0.831 105.5 40.3 -45.4 -47.7 -21.6 24.9 57.6 764 218 B D T 3 S+ 0 0 92 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.630 88.6 108.5-108.2 74.3 -25.3 24.4 58.4 765 219 B L < - 0 0 17 -2,-0.7 -11,-0.0 -3,-0.6 -3,-0.0 -0.989 60.2-117.8-144.4 146.5 -26.6 21.9 55.8 766 220 B N > - 0 0 43 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.144 27.3-102.3 -82.7 172.6 -27.6 18.2 56.3 767 221 B L H > S+ 0 0 44 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.847 118.0 56.3 -63.6 -38.2 -26.3 14.9 55.0 768 222 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.958 110.3 45.7 -56.4 -50.8 -29.1 14.5 52.4 769 223 B E H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 115.2 46.9 -56.9 -49.5 -28.2 17.8 50.9 770 224 B E H X S+ 0 0 6 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.940 109.7 53.4 -61.2 -50.1 -24.4 17.0 51.0 771 225 B A H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.945 111.9 46.0 -47.1 -56.5 -25.0 13.6 49.5 772 226 B Y H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.924 114.1 45.4 -55.4 -55.9 -26.9 15.2 46.6 773 227 B L H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.922 113.1 51.7 -55.4 -45.6 -24.4 18.0 45.9 774 228 B A H < S+ 0 0 4 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.3 46.6 -57.7 -39.6 -21.6 15.5 46.1 775 229 B G H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 4,-0.4 0.794 95.4 78.1 -69.7 -28.5 -23.5 13.3 43.6 776 230 B L G >< S+ 0 0 0 -4,-1.7 3,-1.0 -3,-0.4 7,-0.2 0.845 77.5 64.4 -62.0 -47.9 -24.3 16.1 41.1 777 231 B P G 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 0.433 85.0 76.8 -62.4 0.8 -21.1 16.6 39.2 778 232 B Q G < S- 0 0 100 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.952 129.0 -12.2 -71.4 -52.1 -21.1 13.1 37.6 779 233 B V S X> S- 0 0 52 -3,-1.0 4,-1.5 -4,-0.4 3,-0.6 -0.490 79.9-179.1-142.9 70.3 -23.8 14.0 35.1 780 234 B P H >> S+ 0 0 21 0, 0.0 3,-1.0 0, 0.0 4,-1.0 0.826 77.8 47.4 -42.8 -59.6 -25.1 17.4 36.4 781 235 B N H >4 S+ 0 0 95 1,-0.3 3,-0.8 2,-0.2 7,-0.2 0.883 113.3 49.1 -52.4 -46.8 -27.8 18.0 33.8 782 236 B N H <4 S+ 0 0 103 -3,-0.6 -1,-0.3 1,-0.2 9,-0.1 0.761 118.1 41.2 -63.4 -27.2 -29.2 14.5 34.1 783 237 B Y H << S+ 0 0 44 -4,-1.5 2,-0.4 -3,-1.0 -1,-0.2 0.360 77.0 127.8-104.2 1.1 -29.3 14.9 38.0 784 238 B N XX - 0 0 1 -4,-1.0 4,-2.7 -3,-0.8 3,-0.8 -0.483 54.5-145.0 -63.2 115.7 -30.5 18.5 38.3 785 239 B I T 34 S+ 0 0 15 -2,-0.4 -1,-0.2 1,-0.3 7,-0.1 0.805 93.7 61.5 -58.2 -35.3 -33.5 18.1 40.7 786 240 B Y T 34 S+ 0 0 50 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.928 120.5 25.4 -56.6 -44.3 -35.6 20.8 39.1 787 241 B D T <4 S+ 0 0 78 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.945 138.4 21.5 -83.2 -56.0 -35.7 18.8 35.9 788 242 B H X + 0 0 76 -4,-2.7 4,-2.4 -7,-0.2 -1,-0.2 -0.580 64.1 158.6-120.2 68.2 -35.1 15.2 36.9 789 243 B P H > S+ 0 0 62 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.906 78.6 53.9 -59.5 -45.5 -36.1 14.8 40.6 790 244 B K H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.918 113.1 44.9 -50.0 -46.1 -36.7 11.1 40.4 791 245 B A H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.851 112.7 50.3 -68.1 -38.8 -33.2 10.8 38.9 792 246 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.914 107.8 53.6 -67.1 -43.9 -31.7 13.2 41.6 793 247 B E H X S+ 0 0 72 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.970 110.5 46.6 -52.7 -55.2 -33.3 11.2 44.4 794 248 B D H X S+ 0 0 102 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.784 113.0 50.1 -61.1 -30.0 -31.8 7.9 43.1 795 249 B R H X S+ 0 0 16 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.849 109.9 48.8 -77.5 -39.6 -28.4 9.6 42.7 796 250 B K H X S+ 0 0 0 -4,-2.6 4,-2.2 -3,-0.2 -2,-0.2 0.898 109.8 55.6 -59.9 -43.9 -28.4 11.1 46.3 797 251 B N H X S+ 0 0 61 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.880 107.4 46.3 -58.3 -42.1 -29.4 7.6 47.5 798 252 B T H X S+ 0 0 70 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.799 109.2 56.1 -76.3 -25.2 -26.3 6.0 45.9 799 253 B V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.926 107.4 48.3 -66.4 -44.9 -24.1 8.7 47.3 800 254 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.947 110.1 53.7 -57.4 -47.1 -25.3 8.0 50.8 801 255 B Y H X S+ 0 0 114 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.872 109.2 47.7 -54.9 -42.8 -24.7 4.3 50.1 802 256 B L H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.868 109.1 53.2 -68.4 -37.3 -21.1 5.0 49.0 803 257 B X H <>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 6,-0.9 0.859 115.3 41.9 -65.8 -37.0 -20.5 7.2 52.2 804 258 B H H ><5S+ 0 0 46 -4,-2.4 3,-2.6 4,-0.2 -2,-0.2 0.950 111.4 54.5 -68.6 -52.3 -21.7 4.3 54.2 805 259 B Y H 3<5S+ 0 0 149 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.830 111.1 46.4 -53.2 -37.1 -19.8 1.6 52.2 806 260 B H T 3<5S- 0 0 61 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.186 115.6-116.1 -92.8 14.7 -16.5 3.6 52.7 807 261 B K T < 5S+ 0 0 194 -3,-2.6 -3,-0.2 2,-0.2 -2,-0.1 0.741 75.8 131.9 58.3 29.3 -17.2 4.0 56.5 808 262 B R S - 0 0 77 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.184 31.5-105.7 -77.5 169.1 -22.2 5.3 60.9 811 265 B D H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.883 118.0 52.5 -59.0 -40.7 -25.1 2.9 60.5 812 266 B K H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.963 111.7 41.3 -63.8 -56.6 -27.3 5.2 62.7 813 267 B Q H > S+ 0 0 78 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.717 115.0 53.2 -71.0 -21.3 -26.8 8.5 60.8 814 268 B W H X S+ 0 0 51 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.929 113.0 42.5 -70.5 -50.5 -27.0 6.7 57.4 815 269 B E H < S+ 0 0 93 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.748 119.3 45.9 -67.4 -24.8 -30.3 5.1 58.3 816 270 B D H < S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.652 113.8 49.4 -89.9 -18.7 -31.3 8.5 59.8 817 271 B A H >< S+ 0 0 4 -4,-0.9 3,-0.7 -5,-0.2 -2,-0.2 0.857 102.5 58.7 -83.7 -40.6 -30.1 10.4 56.8 818 272 B K T 3< S+ 0 0 86 -4,-2.6 -1,-0.1 1,-0.3 -2,-0.1 0.675 96.3 64.3 -68.5 -17.1 -31.8 8.3 54.1 819 273 B K T 3 S+ 0 0 155 -4,-0.3 2,-0.4 -5,-0.2 -1,-0.3 -0.218 83.1 109.7 -96.6 42.6 -35.3 9.1 55.6 820 274 B I S < S- 0 0 54 -3,-0.7 2,-0.5 -2,-0.1 3,-0.1 -0.949 73.1-118.5-122.7 138.8 -34.9 12.8 54.9 821 275 B D > - 0 0 96 -2,-0.4 3,-1.5 1,-0.2 4,-0.2 -0.622 15.6-155.4 -77.2 122.0 -36.8 14.8 52.3 822 276 B L T 3 S+ 0 0 8 -2,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.912 95.9 60.6 -66.9 -39.3 -34.4 16.3 49.8 823 277 B K T > S+ 0 0 144 1,-0.2 3,-1.7 2,-0.1 -1,-0.3 0.431 75.2 120.0 -66.7 4.9 -36.8 19.1 49.0 824 278 B A T < S- 0 0 60 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.861 94.7 -0.1 -29.3 -79.9 -36.5 20.0 52.7 825 279 B N T 3 S+ 0 0 91 -3,-0.4 2,-0.6 -4,-0.2 -1,-0.3 -0.327 91.5 152.4-113.2 48.3 -35.1 23.5 52.3 826 280 B L < - 0 0 33 -3,-1.7 2,-0.5 1,-0.1 -68,-0.2 -0.703 49.0-125.6 -77.2 119.5 -35.2 23.5 48.4 827 281 B V - 0 0 41 -70,-2.0 -68,-0.1 -2,-0.6 -2,-0.1 -0.576 30.7-118.5 -73.2 118.5 -35.6 27.1 47.4 828 282 B N + 0 0 144 -2,-0.5 2,-0.3 1,-0.0 -1,-0.1 -0.193 44.3 163.7 -62.3 146.9 -38.6 27.1 45.1 829 283 B R - 0 0 75 -3,-0.0 -1,-0.0 -43,-0.0 -3,-0.0 -0.983 32.1-134.6-162.0 167.2 -38.2 28.3 41.5 830 284 B T >> - 0 0 63 -2,-0.3 4,-1.7 1,-0.0 3,-1.0 -0.802 35.9-110.1-123.5 160.1 -39.4 28.6 37.9 831 285 B P H 3> S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.854 116.6 61.7 -61.8 -33.6 -37.6 28.0 34.6 832 286 B E H 34 S+ 0 0 139 1,-0.2 4,-0.5 2,-0.2 -3,-0.0 0.733 109.0 44.0 -65.8 -22.4 -37.6 31.7 33.8 833 287 B E H <4 S+ 0 0 88 -3,-1.0 -1,-0.2 2,-0.2 -4,-0.0 0.818 107.7 56.5 -87.4 -37.6 -35.6 32.2 36.9 834 288 B R H < S+ 0 0 38 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.792 114.3 39.7 -67.2 -30.4 -33.1 29.3 36.4 835 289 B Q S < S+ 0 0 133 -4,-1.8 2,-1.8 1,-0.1 -1,-0.2 0.743 94.1 97.6 -85.3 -27.5 -32.1 30.7 33.0 836 290 B N - 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