==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-JAN-13 4J0A . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.COULOMBE . 1117 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 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 . 3 0.3 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 . 57 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 3 4 2 1 4 2 1 3 3 4 4 0 3 2 1 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 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 . 13 0 4 3 3 6 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 . 1 5 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 1 A S 0 0 60 0, 0.0 55,-1.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 177.6 -7.5 44.2 5.8 2 2 A M B -A 55 0A 72 53,-0.2 53,-0.2 1,-0.2 3,-0.1 -0.464 360.0-146.4 -67.4 127.1 -7.9 47.7 7.3 3 3 A S S S+ 0 0 0 51,-2.4 272,-2.5 -2,-0.2 273,-0.4 0.823 85.2 15.4 -61.5 -30.0 -10.7 47.9 9.8 4 4 A Y E -B 274 0B 15 270,-0.2 2,-0.4 50,-0.2 270,-0.2 -0.992 58.8-161.8-146.8 152.3 -11.2 51.4 8.6 5 5 A T E -B 273 0B 57 268,-1.9 268,-1.7 -2,-0.3 2,-0.5 -0.991 19.8-149.4-130.0 137.0 -10.3 53.7 5.7 6 6 A W E -B 272 0B 70 -2,-0.4 266,-0.3 266,-0.2 265,-0.1 -0.941 17.1-168.0-120.2 129.6 -10.7 57.5 6.1 7 7 A T - 0 0 75 264,-3.1 265,-0.2 -2,-0.5 -1,-0.1 0.762 52.1-108.6 -77.3 -28.2 -11.5 60.1 3.4 8 8 A G S S+ 0 0 57 263,-0.7 263,-0.1 1,-0.5 264,-0.1 -0.066 79.4 123.5 123.6 -33.1 -10.6 63.0 5.6 9 9 A A - 0 0 28 261,-0.5 -1,-0.5 1,-0.1 -2,-0.2 -0.331 63.8-113.4 -59.7 142.5 -14.1 64.4 6.2 10 10 A L - 0 0 122 -3,-0.1 2,-0.7 1,-0.1 259,-0.1 -0.456 17.7-104.8 -87.5 154.5 -14.8 64.6 10.0 11 11 A I - 0 0 7 -2,-0.2 34,-0.2 31,-0.2 128,-0.1 -0.631 51.4-156.0 -73.1 114.6 -17.2 62.8 12.2 12 12 A T - 0 0 16 -2,-0.7 254,-0.5 126,-0.3 128,-0.3 -0.703 13.6-121.8-104.3 149.5 -19.8 65.5 12.7 13 13 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.569 13.4-140.0 -83.0 147.4 -22.4 66.2 15.5 14 14 A C S S- 0 0 99 -2,-0.2 2,-0.2 1,-0.2 125,-0.0 0.128 84.0 -11.4 -94.5 22.7 -26.0 66.4 14.5 15 15 A A S S- 0 0 66 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.835 105.3 -41.7 161.9 167.1 -26.5 69.3 16.9 16 16 A A - 0 0 93 -2,-0.2 2,-0.4 -3,-0.1 -2,-0.1 -0.177 57.9-139.4 -52.9 137.4 -24.7 71.1 19.7 17 17 A E - 0 0 46 -4,-0.1 2,-0.7 22,-0.0 -1,-0.1 -0.884 3.1-140.5-108.6 132.8 -23.0 68.7 22.1 18 18 A E + 0 0 86 -2,-0.4 21,-0.0 1,-0.1 3,-0.0 -0.804 26.5 167.0 -93.0 115.7 -23.0 69.1 25.9 19 19 A S + 0 0 33 -2,-0.7 20,-1.2 19,-0.1 2,-0.3 0.634 55.1 62.2-104.4 -14.4 -19.7 68.3 27.6 20 20 A K B S-F 38 0C 146 18,-0.2 18,-0.2 3,-0.0 15,-0.1 -0.853 84.8-106.7-117.2 151.6 -20.1 69.7 31.1 21 21 A L - 0 0 8 16,-0.9 16,-0.1 13,-0.6 373,-0.1 -0.610 41.3-118.5 -75.2 116.7 -22.4 69.0 34.0 22 22 A P - 0 0 36 0, 0.0 2,-0.9 0, 0.0 5,-0.1 -0.319 26.5-114.0 -56.1 125.4 -24.9 71.9 34.3 23 23 A I + 0 0 140 4,-0.1 -3,-0.0 -2,-0.0 -2,-0.0 -0.539 57.4 169.2 -64.8 106.2 -24.5 73.5 37.7 24 24 A N > - 0 0 44 -2,-0.9 4,-1.3 1,-0.1 373,-0.1 -0.835 46.0-127.6-123.4 158.3 -27.9 72.5 38.9 25 25 A P H > S+ 0 0 108 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.867 109.7 42.4 -76.2 -31.2 -29.7 72.6 42.3 26 26 A L H 4 S+ 0 0 65 2,-0.2 4,-0.5 370,-0.2 371,-0.1 0.686 110.7 56.6 -86.4 -18.6 -30.7 68.9 42.3 27 27 A S H >> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.892 100.3 59.2 -76.6 -40.8 -27.4 67.7 40.9 28 28 A N H 3< S+ 0 0 75 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 98.0 55.6 -61.2 -32.7 -25.4 69.2 43.7 29 29 A S T 3< S+ 0 0 39 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.801 114.6 43.8 -72.8 -21.3 -27.1 67.4 46.6 30 30 A L T <4 S+ 0 0 1 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.923 132.1 3.2 -85.0 -48.4 -26.2 64.2 44.8 31 31 A L < - 0 0 1 -4,-2.7 -1,-0.3 460,-0.2 460,-0.2 -0.982 53.8-166.5-146.4 127.6 -22.5 65.0 43.8 32 32 A R S S+ 0 0 110 458,-2.0 2,-2.2 -2,-0.3 458,-0.2 0.856 77.0 71.2 -82.3 -40.2 -20.5 68.1 44.6 33 33 A H > + 0 0 86 456,-2.0 3,-2.0 1,-0.2 4,-0.3 -0.432 56.2 164.5 -80.6 69.2 -17.5 67.9 42.3 34 34 A H G > + 0 0 49 -2,-2.2 3,-0.9 1,-0.3 -13,-0.6 0.682 66.1 68.4 -59.5 -20.1 -19.5 68.7 39.2 35 35 A N G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.2 112,-0.1 0.568 90.4 62.9 -77.0 -9.2 -16.2 69.4 37.2 36 36 A M G < S+ 0 0 54 -3,-2.0 111,-2.5 453,-0.1 2,-0.5 0.603 89.0 81.8 -89.5 -11.5 -15.3 65.7 37.4 37 37 A V E < + G 0 146C 3 -3,-0.9 -16,-0.9 -4,-0.3 2,-0.3 -0.841 58.2 162.7-100.4 125.0 -18.4 64.6 35.4 38 38 A Y E -FG 20 145C 9 107,-1.6 107,-2.3 -2,-0.5 2,-0.5 -0.960 30.6-138.6-141.5 157.4 -18.2 64.9 31.5 39 39 A A E - G 0 144C 3 -20,-1.2 105,-0.2 -2,-0.3 115,-0.1 -0.971 30.6-115.6-120.9 125.5 -19.9 63.7 28.4 40 40 A T - 0 0 6 103,-2.4 2,-0.3 -2,-0.5 -22,-0.1 -0.109 36.2-174.2 -53.7 151.1 -18.0 62.6 25.3 41 41 A T > - 0 0 8 101,-0.1 3,-2.1 -24,-0.1 113,-0.5 -0.906 43.9 -93.9-142.8 171.1 -18.4 64.6 22.1 42 42 A S G > S+ 0 0 19 1,-0.3 3,-1.4 -2,-0.3 4,-0.4 0.625 110.9 83.1 -65.2 -8.0 -17.4 64.5 18.4 43 43 A R G 3 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.733 95.2 41.6 -69.0 -18.8 -14.5 66.7 19.5 44 44 A S G X> S+ 0 0 19 -3,-2.1 4,-1.5 1,-0.1 3,-1.0 0.283 83.7 105.6-107.8 10.1 -12.6 63.6 20.6 45 45 A A H <> S+ 0 0 3 -3,-1.4 4,-2.6 1,-0.3 5,-0.2 0.846 74.3 58.8 -57.0 -36.7 -13.7 61.6 17.5 46 46 A S H 3> S+ 0 0 77 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.773 103.1 52.5 -64.7 -29.9 -10.2 61.9 16.0 47 47 A L H <> S+ 0 0 112 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.918 111.7 44.9 -72.5 -45.1 -8.6 60.2 19.0 48 48 A R H >X S+ 0 0 54 -4,-1.5 4,-2.4 1,-0.2 3,-1.4 0.943 108.3 56.6 -64.3 -49.5 -10.9 57.2 18.9 49 49 A Q H 3< S+ 0 0 23 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.910 105.3 52.8 -49.2 -45.9 -10.6 56.8 15.1 50 50 A K H 3< S+ 0 0 183 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.767 110.9 47.6 -63.7 -24.6 -6.8 56.5 15.5 51 51 A K H << S+ 0 0 97 -3,-1.4 -2,-0.2 -4,-0.9 -1,-0.2 0.882 113.7 44.3 -84.6 -37.0 -7.3 53.7 18.1 52 52 A V S < S+ 0 0 10 -4,-2.4 2,-0.6 -49,-0.0 -1,-0.2 0.245 95.2 91.3 -91.4 13.6 -9.8 51.6 16.2 53 53 A T + 0 0 34 -4,-0.4 2,-0.3 -3,-0.2 -51,-0.1 -0.920 53.0 111.9-113.8 115.4 -8.0 51.8 12.8 54 54 A F - 0 0 50 -2,-0.6 -51,-2.4 169,-0.1 2,-0.5 -0.984 67.0 -89.1-168.9 166.6 -5.5 49.1 12.0 55 55 A D B -A 2 0A 104 -2,-0.3 -53,-0.2 -53,-0.2 2,-0.2 -0.773 46.3-133.8 -89.4 125.4 -4.7 46.1 9.8 56 56 A R - 0 0 16 -55,-1.7 2,-0.5 -2,-0.5 168,-0.1 -0.506 10.8-150.8 -82.1 148.9 -6.1 42.9 11.3 57 57 A L + 0 0 110 -2,-0.2 2,-0.4 284,-0.2 287,-0.3 -0.978 18.8 175.7-121.8 123.1 -4.1 39.7 11.5 58 58 A Q + 0 0 54 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.974 13.8 171.9-137.2 126.3 -5.9 36.4 11.5 59 59 A V - 0 0 85 283,-3.0 2,-0.3 -2,-0.4 285,-0.1 -0.962 19.3-156.2-131.5 112.0 -4.6 32.8 11.5 60 60 A L - 0 0 57 -2,-0.5 2,-0.2 283,-0.1 283,-0.0 -0.678 13.0-174.0 -92.0 142.3 -7.2 30.0 11.9 61 61 A D > - 0 0 49 -2,-0.3 4,-2.2 1,-0.0 5,-0.2 -0.585 41.3 -88.1-123.0-174.5 -6.4 26.5 13.2 62 62 A D H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.875 121.4 55.6 -64.9 -39.8 -7.9 23.1 13.8 63 63 A H H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 108.6 49.0 -60.0 -45.0 -9.2 23.9 17.2 64 64 A Y H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.980 112.7 45.7 -56.2 -61.2 -11.1 26.9 15.8 65 65 A R H X S+ 0 0 85 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.853 111.1 56.0 -52.0 -36.7 -12.7 24.9 13.0 66 66 A D H X S+ 0 0 66 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.945 108.7 44.4 -62.4 -48.4 -13.5 22.2 15.5 67 67 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 -3,-0.3 -2,-0.2 0.887 111.1 55.3 -63.9 -38.5 -15.4 24.5 17.8 68 68 A L H X S+ 0 0 9 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.940 107.0 49.7 -59.3 -48.1 -17.2 26.1 14.8 69 69 A K H X S+ 0 0 87 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 110.6 50.0 -57.9 -43.7 -18.4 22.7 13.7 70 70 A E H X S+ 0 0 95 -4,-2.0 4,-1.5 1,-0.2 5,-0.2 0.955 113.0 46.8 -59.1 -48.3 -19.7 22.0 17.2 71 71 A M H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.923 108.6 55.1 -59.8 -43.9 -21.5 25.3 17.2 72 72 A K H X S+ 0 0 4 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.893 104.6 56.4 -56.5 -40.0 -22.9 24.7 13.7 73 73 A A H < S+ 0 0 30 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.901 108.5 42.3 -59.8 -47.8 -24.4 21.5 15.0 74 74 A K H >< S+ 0 0 114 -4,-1.5 3,-1.4 1,-0.2 4,-0.3 0.857 111.5 57.3 -69.5 -32.9 -26.4 22.9 17.8 75 75 A A H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.3 -1,-0.2 0.881 93.1 70.8 -61.2 -37.5 -27.4 25.8 15.5 76 76 A S T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.617 90.4 59.5 -53.5 -19.0 -28.8 23.1 13.2 77 77 A T T < S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.627 86.7 105.9 -86.0 -17.3 -31.7 22.4 15.7 78 78 A V < - 0 0 11 -3,-2.4 163,-2.1 -4,-0.3 2,-0.4 -0.348 50.3-165.6 -73.2 142.1 -32.9 26.0 15.4 79 79 A K B -h 241 0D 153 161,-0.2 2,-0.3 -2,-0.1 163,-0.1 -0.851 10.2-158.1-130.4 98.3 -36.0 27.1 13.6 80 80 A A - 0 0 10 161,-1.0 163,-0.3 -2,-0.4 93,-0.0 -0.544 2.0-155.9 -77.2 134.4 -36.2 30.9 13.0 81 81 A K - 0 0 116 -2,-0.3 -1,-0.1 161,-0.1 165,-0.1 0.941 19.6-132.5 -80.4 -49.8 -39.7 32.4 12.4 82 82 A L - 0 0 52 87,-0.1 89,-0.2 164,-0.1 2,-0.2 0.546 20.1-121.5 93.7 113.5 -39.5 35.7 10.5 83 83 A L - 0 0 13 87,-2.2 2,-0.1 86,-0.4 90,-0.0 -0.561 18.8-120.3 -89.0 153.8 -41.4 38.7 11.7 84 84 A S > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.433 34.9-102.0 -82.6 164.0 -44.1 40.5 9.8 85 85 A I H > S+ 0 0 31 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.880 123.7 54.4 -55.7 -36.1 -43.6 44.2 9.1 86 86 A E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.956 108.8 45.6 -63.0 -51.3 -46.1 44.9 11.9 87 87 A E H > S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.954 113.9 48.9 -56.9 -51.5 -44.3 42.9 14.5 88 88 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 109.7 54.0 -60.3 -27.7 -41.0 44.4 13.6 89 89 A C H >< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.3 -1,-0.2 0.856 101.9 56.3 -75.3 -36.1 -42.6 47.9 13.7 90 90 A K H 3< S+ 0 0 122 -4,-2.0 470,-0.4 -3,-0.4 -1,-0.2 0.790 102.1 59.4 -65.4 -25.9 -43.9 47.3 17.3 91 91 A L T 3< S+ 0 0 20 -4,-1.1 467,-2.4 -5,-0.2 -1,-0.3 0.588 82.2 105.3 -78.8 -11.1 -40.2 46.6 18.2 92 92 A T S < S- 0 0 0 -3,-1.4 465,-0.1 -4,-0.2 464,-0.1 -0.581 73.7-124.3 -78.1 124.1 -39.1 50.1 17.1 93 93 A P > - 0 0 6 0, 0.0 3,-1.1 0, 0.0 16,-0.1 -0.258 14.4-125.0 -63.5 151.7 -38.4 52.5 19.9 94 94 A P T 3 S+ 0 0 39 0, 0.0 12,-0.5 0, 0.0 11,-0.2 0.808 112.0 48.0 -66.8 -30.9 -40.3 55.9 19.9 95 95 A H T 3 S+ 0 0 85 10,-0.1 2,-0.2 9,-0.1 3,-0.1 0.220 81.2 134.4 -95.2 12.4 -37.0 57.8 20.0 96 96 A S S < S- 0 0 11 -3,-1.1 9,-0.7 1,-0.1 10,-0.1 -0.441 71.6 -89.2 -67.3 130.6 -35.3 55.8 17.2 97 97 A A - 0 0 51 -2,-0.2 -1,-0.1 7,-0.1 65,-0.1 -0.095 49.3-115.2 -42.3 123.0 -33.5 58.0 14.7 98 98 A K - 0 0 165 1,-0.1 6,-0.3 -3,-0.1 2,-0.2 -0.066 31.1-102.9 -58.5 162.1 -35.9 59.0 11.9 99 99 A S B >> -I 103 0E 4 4,-2.7 3,-0.7 62,-0.1 4,-0.5 -0.521 12.7-131.0 -87.6 154.8 -35.4 57.8 8.3 100 100 A K T 34 S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.359 99.4 75.8 -84.9 7.1 -34.0 60.0 5.5 101 101 A F T 34 S- 0 0 99 2,-0.3 -1,-0.2 14,-0.0 3,-0.1 0.076 122.6 -77.1-107.1 23.5 -36.9 58.9 3.4 102 102 A G T <4 S+ 0 0 45 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.719 99.7 71.7 96.0 22.2 -39.7 61.0 4.9 103 103 A Y B < -I 99 0E 10 -4,-0.5 -4,-2.7 11,-0.1 -2,-0.3 -0.988 50.5-159.6-160.7 163.2 -40.7 59.3 8.2 104 104 A G > - 0 0 11 -2,-0.3 4,-2.2 -6,-0.3 5,-0.1 -0.584 47.8 -64.9-131.4-165.1 -39.6 58.7 11.8 105 105 A A H > S+ 0 0 7 -9,-0.7 4,-2.6 1,-0.2 5,-0.3 0.953 124.4 52.5 -49.5 -66.9 -40.1 56.4 14.8 106 106 A K H > S+ 0 0 129 -12,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.863 110.0 48.7 -37.4 -56.6 -43.7 57.5 15.5 107 107 A D H >>S+ 0 0 60 2,-0.2 5,-1.7 1,-0.2 4,-0.9 0.947 110.8 51.2 -53.7 -51.6 -44.8 56.8 11.9 108 108 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.952 112.8 44.6 -50.1 -56.6 -43.1 53.4 12.0 109 109 A R H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 113.3 52.4 -60.2 -28.2 -44.9 52.5 15.3 110 110 A N H 3<5S- 0 0 120 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.516 105.7-129.4 -84.6 -6.6 -48.2 53.8 13.8 111 111 A L T <<5 - 0 0 71 -3,-1.7 -3,-0.2 -4,-0.9 -2,-0.1 0.788 37.7-172.9 61.9 30.4 -47.8 51.7 10.7 112 112 A S >>< - 0 0 37 -5,-1.7 4,-2.3 -6,-0.2 3,-0.7 -0.195 34.3-112.6 -55.9 145.2 -48.4 54.8 8.5 113 113 A S H 3> S+ 0 0 90 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.851 116.5 47.2 -47.3 -44.6 -48.8 54.2 4.8 114 114 A R H 3> S+ 0 0 162 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.836 111.1 51.2 -71.4 -31.7 -45.6 55.9 3.9 115 115 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.984 114.9 41.1 -67.7 -56.6 -43.6 54.2 6.6 116 116 A V H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.866 111.1 56.7 -59.5 -40.8 -44.7 50.7 5.6 117 117 A N H X S+ 0 0 87 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.916 111.7 41.9 -60.7 -43.2 -44.4 51.3 1.9 118 118 A H H X S+ 0 0 34 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.946 112.7 53.0 -68.6 -47.2 -40.8 52.3 2.1 119 119 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.851 109.0 51.7 -56.5 -34.4 -39.9 49.6 4.5 120 120 A R H X S+ 0 0 114 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.919 108.7 49.5 -69.5 -41.8 -41.4 47.1 2.1 121 121 A S H X S+ 0 0 61 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.808 107.8 54.1 -66.3 -32.2 -39.3 48.4 -0.8 122 122 A V H X S+ 0 0 18 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.885 111.6 46.1 -68.4 -36.7 -36.1 48.2 1.2 123 123 A W H X S+ 0 0 18 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.946 110.2 50.8 -70.1 -48.5 -37.0 44.5 1.9 124 124 A E H X S+ 0 0 73 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.912 111.4 52.1 -53.1 -41.7 -37.8 43.7 -1.7 125 125 A D H X S+ 0 0 60 -4,-2.0 4,-3.6 1,-0.2 -1,-0.2 0.868 103.4 54.6 -63.4 -42.2 -34.5 45.3 -2.5 126 126 A L H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.3 50.7 -61.2 -32.8 -32.6 43.2 -0.0 127 127 A L H < S+ 0 0 10 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.808 119.6 34.9 -73.9 -30.2 -34.1 40.2 -1.9 128 128 A E H < S+ 0 0 94 -4,-1.3 2,-0.6 -5,-0.2 -2,-0.2 0.855 111.8 58.7 -92.9 -40.3 -33.0 41.4 -5.3 129 129 A D < + 0 0 37 -4,-3.6 -1,-0.1 -5,-0.1 560,-0.1 -0.828 49.2 167.0 -98.1 123.5 -29.7 43.1 -4.6 130 130 A T S S+ 0 0 15 -2,-0.6 -1,-0.1 558,-0.4 125,-0.1 0.321 75.3 36.2-113.7 3.9 -27.0 40.9 -3.1 131 131 A E S S+ 0 0 123 558,-0.1 3,-0.1 125,-0.1 -2,-0.1 0.736 74.0 108.1-125.9 -41.9 -24.1 43.2 -3.6 132 132 A T S S- 0 0 69 1,-0.1 2,-0.1 0, 0.0 -3,-0.1 -0.213 70.9-120.3 -52.5 112.8 -24.7 46.9 -3.2 133 133 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 124,-0.2 -0.336 28.8-126.1 -56.3 120.7 -23.0 48.1 0.0 134 134 A I - 0 0 16 122,-2.6 2,-0.1 126,-0.3 126,-0.0 -0.484 26.1-111.5 -71.7 135.3 -25.8 49.6 2.2 135 135 A D - 0 0 60 -2,-0.2 26,-0.5 126,-0.1 2,-0.3 -0.425 35.8-171.9 -71.9 144.0 -25.1 53.2 3.4 136 136 A T E -Cd 160 263B 2 126,-0.7 128,-1.9 24,-0.2 2,-0.4 -0.891 18.2-134.0-131.0 159.5 -24.4 53.8 7.1 137 137 A T E -Cd 159 264B 32 22,-2.5 22,-2.0 -2,-0.3 2,-0.5 -0.955 14.9-155.2-116.3 135.6 -24.1 56.9 9.3 138 138 A I E +C 158 0B 0 126,-2.1 -126,-0.3 -2,-0.4 128,-0.3 -0.943 19.5 171.0-112.8 131.5 -21.2 57.2 11.7 139 139 A M E -C 157 0B 31 18,-2.1 18,-2.5 -2,-0.5 2,-0.5 -0.933 38.0-107.6-135.3 157.8 -21.7 59.5 14.8 140 140 A A E -C 156 0B 10 -2,-0.3 16,-0.2 -128,-0.3 -98,-0.2 -0.795 40.0-125.6 -90.1 126.2 -19.7 60.1 18.0 141 141 A K - 0 0 74 14,-3.4 2,-0.8 -2,-0.5 14,-0.4 -0.479 11.7-136.9 -73.2 140.1 -21.5 58.6 20.9 142 142 A S + 0 0 77 -2,-0.2 2,-0.3 12,-0.1 -101,-0.1 -0.845 37.0 161.4-101.2 99.3 -22.3 60.9 23.9 143 143 A E - 0 0 26 -2,-0.8 -103,-2.4 -102,-0.0 2,-0.4 -0.906 31.8-126.6-120.6 151.2 -21.6 59.0 27.1 144 144 A V E +G 39 0C 13 -2,-0.3 -105,-0.2 -105,-0.2 2,-0.2 -0.782 35.7 150.2-102.7 136.8 -21.0 60.2 30.7 145 145 A F E -G 38 0C 18 -107,-2.3 -107,-1.6 -2,-0.4 2,-0.4 -0.741 42.3-104.5-142.4-172.0 -18.0 59.4 32.9 146 146 A C E -G 37 0C 9 -2,-0.2 -109,-0.2 -109,-0.2 -110,-0.1 -0.997 46.1-100.7-126.4 123.6 -15.8 60.7 35.7 147 147 A V - 0 0 33 -111,-2.5 -111,-0.0 -2,-0.4 -112,-0.0 -0.023 41.7-135.2 -39.8 143.5 -12.3 62.0 35.0 148 148 A Q 0 0 128 1,-0.0 -1,-0.1 -3,-0.0 -3,-0.0 -0.801 360.0 360.0-109.7 153.3 -9.7 59.4 35.8 149 149 A P 0 0 174 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.313 360.0 360.0 -52.4 360.0 -6.3 59.9 37.7 150 ! 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 0.0 151 154 A R 0 0 175 0, 0.0 -4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 -10.8 61.3 29.9 152 155 A K - 0 0 92 1,-0.1 3,-0.1 3,-0.0 -108,-0.1 -0.689 360.0-122.1 -90.9 135.9 -12.1 58.7 27.4 153 156 A P - 0 0 45 0, 0.0 -108,-0.1 0, 0.0 -113,-0.1 -0.400 46.0 -87.8 -70.0 156.5 -12.5 59.7 23.8 154 157 A A - 0 0 0 -113,-0.5 2,-0.2 1,-0.1 -12,-0.1 -0.188 40.1-111.4 -64.4 158.9 -16.0 59.1 22.5 155 158 A R - 0 0 116 -14,-0.4 -14,-3.4 -3,-0.1 2,-0.6 -0.584 26.8-127.0 -87.7 151.9 -17.2 55.8 21.1 156 159 A L E -C 140 0B 16 -16,-0.2 2,-0.4 -2,-0.2 123,-0.2 -0.898 23.3-164.9-105.2 121.5 -18.0 55.6 17.3 157 160 A I E -C 139 0B 42 -18,-2.5 -18,-2.1 -2,-0.6 2,-0.5 -0.881 5.4-167.4-110.1 138.6 -21.4 54.2 16.4 158 161 A V E +C 138 0B 1 -2,-0.4 122,-2.0 -20,-0.2 -20,-0.2 -0.974 17.6 161.1-124.9 116.3 -22.4 53.0 12.9 159 162 A F E -C 137 0B 47 -22,-2.0 -22,-2.5 -2,-0.5 122,-0.1 -0.927 28.9-130.1-133.9 156.6 -26.0 52.4 12.0 160 163 A P E -C 136 0B 3 0, 0.0 -24,-0.2 0, 0.0 97,-0.0 -0.403 46.9 -67.2 -95.7-178.6 -28.1 52.1 8.9 161 164 A D > - 0 0 27 -26,-0.5 4,-2.1 -2,-0.1 -62,-0.1 -0.087 46.3-108.5 -61.3 165.2 -31.4 53.8 8.0 162 165 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.824 118.6 57.5 -66.7 -33.3 -34.6 53.1 9.9 163 166 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 109.7 43.5 -62.1 -49.0 -36.0 51.3 6.9 164 167 A V H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.884 109.9 58.1 -62.8 -40.3 -33.1 48.9 6.9 165 168 A R H X S+ 0 0 9 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.874 105.6 48.8 -59.6 -39.8 -33.3 48.5 10.7 166 169 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.924 108.8 52.2 -68.8 -40.5 -36.9 47.3 10.5 167 170 A C H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.863 104.4 57.8 -62.5 -33.2 -36.1 44.7 7.8 168 171 A E H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.904 106.0 50.3 -61.9 -39.5 -33.2 43.4 10.0 169 172 A K H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 5,-0.4 0.926 108.4 52.4 -64.0 -42.9 -35.9 42.8 12.6 170 173 A M H < S+ 0 0 6 -4,-2.0 -87,-2.2 1,-0.2 -2,-0.2 0.920 121.0 30.4 -59.0 -45.8 -38.1 41.0 10.2 171 174 A A H < S+ 0 0 5 -4,-2.3 -1,-0.2 -89,-0.2 -2,-0.2 0.739 135.0 20.8 -89.1 -24.6 -35.4 38.6 9.0 172 175 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.459 87.6 95.3-128.7 1.0 -33.2 38.2 12.1 173 176 A Y H X S+ 0 0 37 -4,-2.0 4,-0.8 -5,-0.4 5,-0.1 0.971 95.3 42.4 -58.0 -55.0 -35.0 39.2 15.3 174 177 A D H >> S+ 0 0 32 -5,-0.4 4,-1.7 -4,-0.2 3,-0.7 0.900 113.7 54.4 -58.2 -42.9 -36.0 35.6 16.2 175 178 A V H >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.966 110.3 43.4 -55.6 -57.8 -32.5 34.4 15.1 176 179 A V H 3< S+ 0 0 2 -4,-2.6 375,-0.2 1,-0.2 -1,-0.2 0.568 115.4 53.0 -67.2 -7.5 -30.6 36.7 17.5 177 180 A S H << S+ 0 0 12 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.709 123.9 18.5 -98.5 -25.8 -33.1 35.9 20.2 178 181 A T H S+ 0 0 0 0, 0.0 4,-4.0 0, 0.0 5,-0.4 0.959 111.2 41.9 -55.0 -48.6 -27.3 32.2 21.1 181 184 A Q H > S+ 0 0 79 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.892 114.3 49.8 -64.0 -44.0 -28.8 30.1 23.8 182 185 A A H < S+ 0 0 45 -4,-1.9 -1,-0.2 2,-0.2 -3,-0.2 0.883 122.0 37.0 -63.7 -34.8 -29.4 27.0 21.7 183 186 A V H < S+ 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.931 126.8 29.5 -83.9 -49.5 -25.7 27.3 20.6 184 187 A M H >< S- 0 0 7 -4,-4.0 3,-1.6 -5,-0.3 -3,-0.2 0.563 84.4-167.7 -93.0 -8.4 -23.8 28.4 23.7 185 188 A G G >< - 0 0 27 -4,-1.7 3,-1.3 -5,-0.4 -1,-0.2 -0.295 69.0 -4.0 63.7-136.4 -25.9 26.9 26.4 186 189 A S G 3 S+ 0 0 64 1,-0.2 -1,-0.3 -2,-0.1 -5,-0.1 0.493 125.7 74.2 -72.7 0.6 -25.3 28.1 30.0 187 190 A S G < + 0 0 14 -3,-1.6 125,-2.8 -6,-0.1 2,-1.1 0.751 67.7 97.4 -84.2 -24.8 -22.4 30.1 28.6 188 191 A Y B X -j 312 0F 1 -3,-1.3 3,-1.4 123,-0.2 4,-0.2 -0.531 61.4-163.0 -68.7 100.7 -24.8 32.7 27.0 189 192 A G G > S+ 0 0 0 123,-2.5 3,-1.2 -2,-1.1 124,-0.2 0.681 75.8 69.4 -60.4 -25.2 -24.7 35.4 29.7 190 193 A F G 3 S+ 0 0 19 122,-0.5 -1,-0.2 1,-0.2 360,-0.1 0.573 82.3 72.2 -74.6 -8.6 -27.8 37.4 28.6 191 194 A Q G < S+ 0 0 44 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 0.579 89.0 86.5 -79.7 -6.7 -30.3 34.6 29.6 192 195 A Y S < S- 0 0 28 -3,-1.2 357,-0.1 -4,-0.2 -3,-0.0 -0.747 70.7-139.8-104.0 143.8 -29.5 35.5 33.3 193 196 A S > - 0 0 6 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.472 46.3 -98.9 -82.0 163.1 -31.0 38.0 35.7 194 197 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.829 129.3 49.3 -56.8 -31.0 -28.2 39.6 37.8 195 198 A K H > S+ 0 0 93 268,-0.3 4,-2.3 2,-0.2 5,-0.1 0.875 111.8 48.0 -74.6 -36.4 -29.2 37.2 40.6 196 199 A Q H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.773 108.6 55.0 -73.0 -25.1 -29.0 34.3 38.1 197 200 A R H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.928 109.1 47.3 -71.7 -44.7 -25.7 35.5 36.9 198 201 A V H X S+ 0 0 6 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.947 111.5 50.6 -58.3 -52.4 -24.3 35.5 40.4 199 202 A E H X S+ 0 0 120 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.941 110.6 48.9 -52.1 -52.6 -25.7 32.0 41.0 200 203 A F H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.923 114.7 45.0 -55.7 -48.0 -24.1 30.7 37.8 201 204 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.953 117.3 44.2 -61.3 -49.3 -20.8 32.2 38.7 202 205 A V H X S+ 0 0 10 -4,-3.6 4,-2.5 2,-0.2 -2,-0.2 0.925 115.2 47.0 -63.1 -46.2 -20.9 31.0 42.3 203 206 A N H X S+ 0 0 88 -4,-3.8 4,-1.2 -5,-0.3 -1,-0.2 0.916 115.0 47.5 -62.5 -40.1 -22.1 27.5 41.4 204 207 A T H < S+ 0 0 11 -4,-2.4 4,-0.3 -5,-0.3 3,-0.2 0.880 110.1 53.2 -67.2 -38.2 -19.4 27.3 38.7 205 208 A W H >< S+ 0 0 35 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.921 110.7 46.7 -63.8 -41.3 -16.8 28.5 41.1 206 209 A K H 3< S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.688 97.8 69.9 -74.0 -19.8 -17.7 25.9 43.6 207 210 A S T 3< S+ 0 0 77 -4,-1.2 2,-0.4 -3,-0.2 -1,-0.2 0.510 85.1 90.6 -77.0 -1.9 -17.7 23.0 41.1 208 211 A K S < S- 0 0 11 -3,-1.0 114,-0.0 -4,-0.3 113,-0.0 -0.819 72.5-145.2-100.1 133.5 -14.0 23.4 40.8 209 212 A K S S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.3 113,-0.1 0.896 102.8 0.7 -56.8 -42.6 -11.6 21.4 43.1 210 213 A C S S- 0 0 70 113,-0.1 113,-2.7 -3,-0.1 -1,-0.3 -0.757 92.4-142.6-150.8 93.5 -9.4 24.5 43.1 211 214 A P E +K 322 0F 24 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.235 20.0 179.8 -64.1 146.2 -10.9 27.4 41.0 212 215 A M E +K 321 0F 0 109,-1.6 109,-2.8 111,-0.0 2,-0.3 -0.962 14.0 175.6-145.7 123.3 -8.9 29.8 38.8 213 216 A G E +KL 320 354F 0 141,-2.9 141,-2.6 -2,-0.3 2,-0.3 -0.892 10.0 178.7-134.1 164.6 -10.7 32.5 36.9 214 217 A F E -K 319 0F 0 105,-2.1 105,-2.4 -2,-0.3 2,-0.3 -0.990 23.6-131.9-162.6 153.3 -10.2 35.5 34.7 215 218 A S E -K 318 0F 45 137,-0.3 2,-0.5 -2,-0.3 137,-0.3 -0.789 23.2-148.0-103.1 147.1 -11.8 38.2 32.7 216 219 A Y E -K 317 0F 6 101,-2.3 101,-0.9 -2,-0.3 2,-0.7 -0.977 7.6-165.4-123.9 120.1 -10.6 38.8 29.2 217 220 A D - 0 0 65 132,-0.5 131,-3.3 -2,-0.5 2,-0.4 -0.888 9.7-153.3-105.5 103.9 -10.7 42.3 27.7 218 221 A T B > -N 347 0G 4 -2,-0.7 3,-0.9 97,-0.5 2,-0.3 -0.648 27.1-114.0 -77.5 130.4 -10.3 42.4 23.9 219 222 A R T 3 S- 0 0 96 127,-2.2 5,-0.1 -2,-0.4 -1,-0.1 -0.506 90.2 -22.9 -62.5 122.1 -8.8 45.7 22.7 220 223 A C T >> S- 0 0 18 -2,-0.3 4,-1.0 1,-0.1 3,-1.0 0.859 78.4-165.0 35.0 65.4 -11.5 47.4 20.7 221 224 A F H X> S+ 0 0 2 -3,-0.9 4,-1.0 1,-0.2 3,-0.6 0.795 77.9 58.4 -45.9 -45.1 -13.4 44.1 19.9 222 225 A D H >4 S+ 0 0 45 1,-0.3 55,-1.8 2,-0.2 3,-0.5 0.882 106.2 48.1 -58.1 -41.1 -15.6 45.5 17.1 223 226 A S H <4 S+ 0 0 2 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.728 106.4 59.2 -73.2 -19.2 -12.6 46.5 15.0 224 227 A T H << S+ 0 0 0 -4,-1.0 2,-0.2 -3,-0.6 -1,-0.2 0.724 80.6 103.1 -79.9 -20.8 -11.0 43.1 15.6 225 228 A V << - 0 0 0 -4,-1.0 52,-0.3 -3,-0.5 2,-0.2 -0.466 64.9-151.0 -64.8 124.5 -14.0 41.4 14.0 226 229 A T > - 0 0 8 -2,-0.2 4,-2.2 50,-0.1 5,-0.2 -0.526 27.9-111.6 -97.8 166.1 -13.0 40.3 10.5 227 230 A E H > S+ 0 0 45 48,-0.2 4,-1.5 1,-0.2 5,-0.2 0.868 123.7 55.0 -60.1 -35.1 -14.9 39.9 7.3 228 231 A S H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.934 105.2 51.4 -63.2 -45.9 -14.1 36.2 7.8 229 232 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.893 108.8 51.7 -57.8 -42.4 -15.6 36.3 11.3 230 233 A I H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.808 110.5 46.4 -67.9 -30.3 -18.8 37.8 9.9 231 234 A R H X S+ 0 0 85 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.830 110.7 53.0 -80.0 -30.2 -19.3 35.2 7.3 232 235 A V H X S+ 0 0 15 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.912 109.3 50.8 -65.6 -41.2 -18.6 32.5 9.8 233 236 A E H >X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 3,-0.8 0.921 110.0 48.1 -60.5 -48.1 -21.3 34.1 11.9 234 237 A E H 3X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.3 -2,-0.2 0.908 105.5 59.2 -60.2 -41.6 -23.7 34.1 8.9 235 238 A S H 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.749 104.6 51.0 -60.0 -23.6 -22.9 30.4 8.3 236 239 A I H X< S+ 0 0 2 -4,-0.9 3,-1.1 -3,-0.8 -1,-0.2 0.889 111.5 46.7 -78.8 -40.1 -24.1 29.7 11.9 237 240 A Y H >< S+ 0 0 2 -4,-1.7 3,-2.0 1,-0.3 -2,-0.2 0.884 104.9 61.8 -65.5 -39.2 -27.3 31.6 11.1 238 241 A Q T 3< S+ 0 0 0 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.603 88.5 70.8 -65.4 -11.4 -27.6 29.7 7.8 239 242 A C T < S+ 0 0 0 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.645 83.7 95.1 -78.4 -12.8 -27.8 26.4 9.8 240 243 A C S < S- 0 0 0 -3,-2.0 2,-0.6 -4,-0.2 -161,-0.2 -0.433 90.1-108.5 -77.2 150.4 -31.3 27.5 10.9 241 244 A D B +h 79 0D 50 -163,-2.1 -161,-1.0 -2,-0.1 2,-0.3 -0.714 55.4 176.4 -77.0 119.4 -34.5 26.5 9.1 242 245 A L - 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0 0 45 -18,-0.2 -18,-0.1 -2,-0.2 -19,-0.0 -0.934 45.8 -71.2-172.3 156.2 -19.8 47.3 40.8 384 387 A D - 0 0 55 -20,-0.4 3,-0.3 -2,-0.3 98,-0.1 -0.347 45.1-144.6 -53.7 130.1 -17.8 50.4 41.4 385 388 A P S > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.576 72.3 99.9 -80.3 -6.7 -20.5 53.1 41.6 386 389 A T H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 86.5 38.7 -44.0 -59.5 -18.5 55.9 40.0 387 390 A T H > S+ 0 0 24 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.958 116.3 49.6 -63.6 -51.7 -20.1 55.7 36.5 388 391 A P H > S+ 0 0 2 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.888 115.9 46.6 -55.9 -31.7 -23.6 55.0 37.6 389 392 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.886 109.1 51.4 -77.3 -38.1 -23.2 58.0 40.0 390 393 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.919 115.1 45.4 -62.6 -39.0 -21.7 60.3 37.4 391 394 A R H X S+ 0 0 64 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.802 106.1 57.9 -75.0 -29.4 -24.7 59.5 35.2 392 395 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 -5,-0.3 -1,-0.2 0.912 108.4 48.5 -65.1 -41.0 -27.3 59.8 38.0 393 396 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 3,-0.5 0.947 113.7 45.7 -62.8 -49.9 -26.1 63.4 38.4 394 397 A W H >X S+ 0 0 22 -4,-1.8 4,-2.3 1,-0.2 3,-0.6 0.903 112.2 49.4 -61.9 -44.0 -26.3 64.1 34.7 395 398 A E H 3< S+ 0 0 27 -4,-2.9 5,-0.2 1,-0.2 -1,-0.2 0.675 110.1 54.7 -71.2 -13.3 -29.7 62.5 34.2 396 399 A T H 3< S+ 0 0 19 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.705 112.9 40.8 -89.0 -23.3 -30.8 64.6 37.2 397 400 A A H << S+ 0 0 20 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.726 121.8 32.7 -95.5 -26.9 -29.6 67.8 35.5 398 401 A R S < S- 0 0 71 -4,-2.3 2,-0.6 -5,-0.1 -1,-0.1 -0.898 83.9-104.6-129.8 159.7 -30.8 67.2 31.9 399 402 A H - 0 0 192 -2,-0.3 -3,-0.1 -3,-0.1 3,-0.1 -0.732 43.5-176.3 -83.8 122.5 -33.7 65.4 30.2 400 403 A T - 0 0 36 -2,-0.6 -5,-0.0 -5,-0.2 -2,-0.0 -0.978 33.1-135.9-126.3 132.1 -32.4 62.1 28.8 401 404 A P S S+ 0 0 88 0, 0.0 2,-0.5 0, 0.0 40,-0.3 0.916 97.3 48.3 -46.0 -49.1 -34.2 59.5 26.6 402 405 A I S S- 0 0 33 -3,-0.1 2,-1.2 38,-0.1 40,-0.2 -0.850 73.9-150.2-104.2 125.6 -32.7 56.7 28.7 403 406 A N > - 0 0 22 38,-2.2 4,-1.5 -2,-0.5 3,-0.4 -0.719 15.0-179.8 -90.9 90.6 -32.7 56.8 32.5 404 407 A S H > S+ 0 0 25 -2,-1.2 4,-3.5 1,-0.2 5,-0.2 0.883 79.1 61.2 -58.2 -36.8 -29.6 54.9 33.4 405 408 A W H > S+ 0 0 11 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.875 101.7 49.0 -59.5 -40.9 -30.4 55.4 37.1 406 409 A L H > S+ 0 0 0 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.863 114.6 48.4 -67.8 -30.6 -33.7 53.5 36.9 407 410 A G H >X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 3,-0.8 0.987 110.3 49.0 -69.4 -55.9 -31.7 50.8 35.1 408 411 A N H 3X S+ 0 0 27 -4,-3.5 4,-1.5 1,-0.3 -2,-0.2 0.751 109.9 53.3 -53.9 -28.8 -28.9 50.7 37.7 409 412 A I H 3< S+ 0 0 0 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.846 111.1 45.4 -76.4 -34.6 -31.5 50.6 40.5 410 413 A I H X< S+ 0 0 0 -4,-1.3 3,-0.6 -3,-0.8 -2,-0.2 0.929 118.9 40.9 -74.4 -43.3 -33.2 47.6 39.0 411 414 A M H 3< S+ 0 0 25 -4,-2.6 -30,-0.2 1,-0.2 -2,-0.2 0.739 127.4 31.9 -77.0 -26.0 -30.0 45.7 38.2 412 415 A Y T >< S+ 0 0 21 -4,-1.5 3,-0.8 -5,-0.3 6,-0.3 0.023 71.2 135.4-122.6 30.0 -28.2 46.6 41.5 413 416 A A T < S+ 0 0 0 -3,-0.6 -1,-0.1 -4,-0.3 -2,-0.1 0.819 74.0 52.5 -45.6 -39.2 -31.1 46.8 44.0 414 417 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.873 86.5 103.8 -67.8 -38.9 -29.1 44.8 46.6 415 418 A T S <> S- 0 0 0 -3,-0.8 4,-1.6 -34,-0.3 5,-0.2 -0.004 75.1-127.3 -50.3 147.9 -26.0 46.9 46.6 416 419 A L H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.900 107.4 50.7 -62.5 -44.1 -25.2 49.4 49.3 417 420 A W H >>S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-1.0 0.874 109.4 48.4 -66.8 -37.9 -24.7 52.3 46.9 418 421 A A H 4>S+ 0 0 0 -6,-0.3 5,-2.4 3,-0.2 6,-0.2 0.852 115.9 42.7 -72.3 -34.4 -27.9 51.8 45.0 419 422 A R H <5S+ 0 0 10 -4,-1.6 5,-0.5 -7,-0.2 -2,-0.2 0.922 121.3 39.1 -77.1 -43.9 -30.1 51.6 48.1 420 423 A M H <5S+ 0 0 12 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.850 133.5 17.1 -74.9 -36.6 -28.5 54.4 50.0 421 424 A I T X5S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.880 124.5 39.9-102.9 -69.8 -27.9 56.8 47.1 422 425 A L H > S+ 0 0 1 -5,-0.5 4,-1.9 -6,-0.2 5,-0.2 0.948 115.5 44.6 -66.2 -48.5 -33.0 58.0 48.1 425 428 A H H X S+ 0 0 5 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.942 120.7 39.3 -61.4 -49.3 -32.0 60.8 45.6 426 429 A F H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.835 114.0 51.5 -74.7 -33.1 -34.5 59.8 42.9 427 430 A F H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.4 -1,-0.2 0.908 110.0 50.1 -70.8 -36.3 -37.4 59.0 45.2 428 431 A S H X S+ 0 0 46 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.931 111.6 49.7 -64.8 -41.6 -37.1 62.3 47.0 429 432 A I H X S+ 0 0 18 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.911 109.5 49.9 -62.2 -46.0 -37.0 64.1 43.6 430 433 A L H X>S+ 0 0 11 -4,-2.2 5,-1.5 2,-0.2 4,-0.8 0.943 108.7 52.9 -58.3 -49.9 -40.1 62.3 42.2 431 434 A L H ><5S+ 0 0 23 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.922 111.3 47.4 -50.5 -50.8 -42.1 63.1 45.4 432 435 A A H 3<5S+ 0 0 80 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.965 115.9 41.0 -57.3 -57.2 -41.3 66.8 45.0 433 436 A Q H 3<5S- 0 0 100 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.509 110.6-127.0 -71.6 -1.2 -42.1 67.1 41.3 434 437 A E T <<5S+ 0 0 172 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.979 70.6 124.6 52.0 66.9 -45.1 64.9 42.0 435 438 A Q < + 0 0 66 -5,-1.5 -4,-0.1 2,-0.1 -1,-0.1 -0.035 12.5 126.7-145.5 34.0 -44.4 62.3 39.4 436 439 A L S S+ 0 0 6 -6,-0.2 18,-0.8 1,-0.2 -5,-0.1 0.719 80.6 51.9 -65.7 -20.5 -44.2 59.0 41.2 437 440 A E S S+ 0 0 117 16,-0.1 -1,-0.2 -7,-0.1 17,-0.2 0.915 83.4 106.5 -80.0 -46.4 -46.8 57.7 38.7 438 441 A K - 0 0 106 14,-0.1 2,-0.1 1,-0.1 -3,-0.1 -0.044 68.1-132.9 -43.5 117.1 -44.9 58.8 35.5 439 442 A A - 0 0 43 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.407 22.2-158.9 -70.7 146.1 -43.4 55.8 33.6 440 443 A L E -R 451 0J 23 11,-2.6 11,-2.8 -2,-0.1 2,-0.2 -0.968 13.9-121.6-130.9 145.5 -39.8 56.2 32.5 441 444 A D E +R 450 0J 41 -2,-0.4 -38,-2.2 -40,-0.3 2,-0.3 -0.593 37.3 159.4 -86.3 147.1 -37.8 54.5 29.9 442 445 A C E -R 449 0J 0 7,-2.1 7,-2.3 -2,-0.2 2,-0.3 -0.969 32.2-115.0-157.6 160.5 -34.6 52.6 30.7 443 446 A Q E -R 448 0J 94 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.817 17.1-172.1-110.1 148.1 -32.5 49.9 29.1 444 447 A I E > S-R 447 0J 4 3,-2.1 3,-1.6 -2,-0.3 108,-0.0 -0.964 83.5 -19.8-136.3 113.8 -31.7 46.3 30.2 445 448 A Y T 3 S- 0 0 46 -2,-0.4 107,-2.7 1,-0.3 108,-0.5 0.816 128.9 -55.0 55.3 32.7 -29.1 44.4 28.2 446 449 A G T 3 S+ 0 0 11 1,-0.3 111,-0.3 106,-0.2 -1,-0.3 -0.066 111.4 117.9 96.6 -34.1 -29.8 47.0 25.4 447 450 A A E < -R 444 0J 0 -3,-1.6 -3,-2.1 103,-0.2 2,-0.3 -0.414 64.1-122.9 -70.6 143.0 -33.5 46.5 25.1 448 451 A C E -Rs 443 558J 1 109,-2.3 111,-2.8 -5,-0.2 2,-0.3 -0.661 32.0-179.0 -88.6 141.3 -35.7 49.5 25.9 449 452 A Y E -R 442 0J 13 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.6 -0.994 25.0-138.1-140.6 144.9 -38.4 49.2 28.6 450 453 A S E -R 441 0J 61 109,-0.4 2,-0.4 -2,-0.3 -9,-0.2 -0.925 32.0-177.0-105.3 117.1 -41.0 51.5 30.0 451 454 A I E -R 440 0J 8 -11,-2.8 -11,-2.6 -2,-0.6 3,-0.1 -0.936 26.4-134.9-124.0 137.7 -41.2 51.2 33.8 452 455 A E > - 0 0 80 -2,-0.4 3,-2.7 -13,-0.2 4,-0.3 -0.766 16.1-142.5 -88.0 121.3 -43.4 52.7 36.5 453 456 A P G > S+ 0 0 2 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.855 99.5 65.3 -47.7 -40.2 -41.2 53.9 39.5 454 457 A L G 3 S+ 0 0 6 -18,-0.8 4,-0.2 1,-0.3 64,-0.1 0.614 95.1 59.8 -62.5 -11.5 -44.0 52.7 41.9 455 458 A D G <> S+ 0 0 38 -3,-2.7 4,-2.6 1,-0.2 -1,-0.3 0.512 70.6 102.3 -95.9 -3.8 -43.4 49.2 40.8 456 459 A L H <> S+ 0 0 2 -3,-2.0 4,-3.5 -4,-0.3 5,-0.3 0.875 77.6 56.2 -46.9 -45.6 -39.8 49.0 41.9 457 460 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.960 111.3 41.3 -54.2 -54.1 -40.7 47.0 45.0 458 461 A Q H > S+ 0 0 14 -4,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.951 116.8 50.9 -56.1 -50.9 -42.4 44.2 43.1 459 462 A I H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.930 110.8 47.7 -51.5 -52.4 -39.7 44.2 40.5 460 463 A I H X>S+ 0 0 2 -4,-3.5 4,-3.4 -5,-0.2 5,-0.9 0.885 111.5 49.0 -59.7 -44.6 -36.9 44.0 43.0 461 464 A E H X5S+ 0 0 29 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.900 112.1 48.4 -64.9 -41.5 -38.5 41.1 45.0 462 465 A R H <5S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.905 121.8 35.6 -65.5 -39.6 -39.1 39.1 41.9 463 466 A L H <5S+ 0 0 13 -4,-2.2 -268,-0.3 -5,-0.2 -2,-0.2 0.891 136.3 13.8 -83.5 -41.7 -35.6 39.6 40.6 464 467 A H H <5S- 0 0 11 -4,-3.4 -3,-0.2 -5,-0.2 3,-0.2 0.611 101.7-117.4-111.3 -16.4 -33.4 39.6 43.7 465 468 A G ><< - 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