==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-00 1HQE . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.DING,Y.HSIOU,E.ARNOLD . 969 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 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 . 88 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 4 2 2 1 3 0 0 0 1 1 2 2 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 1 0 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 PARALLEL BRIDGES PER LADDER . 6 3 9 1 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A P 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.6 181.4 -27.9 72.2 2 2 A I - 0 0 145 117,-0.0 43,-0.0 0, 0.0 0, 0.0 -0.978 360.0-112.5-139.3 149.0 178.4 -26.3 70.5 3 3 A S - 0 0 29 -2,-0.3 209,-0.1 1,-0.1 210,-0.1 -0.667 21.6-131.1 -84.8 135.1 175.4 -27.4 68.4 4 4 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 209,-0.1 0.711 75.9 106.7 -52.1 -30.9 175.2 -26.3 64.7 5 5 A I S S- 0 0 13 207,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.294 79.3-114.9 -59.3 133.9 171.6 -25.2 65.0 6 6 A E - 0 0 177 157,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.483 31.0-120.6 -69.3 139.6 171.4 -21.4 65.0 7 7 A T - 0 0 49 -2,-0.2 113,-0.1 113,-0.1 -1,-0.1 -0.725 14.5-126.1 -92.3 128.9 170.1 -19.9 68.3 8 8 A V - 0 0 18 -2,-0.6 113,-0.6 111,-0.3 2,-0.2 -0.361 34.4-118.3 -63.3 124.8 167.0 -17.9 68.4 9 9 A P - 0 0 78 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.479 30.9-162.7 -70.5 140.9 167.9 -14.6 70.1 10 10 A V + 0 0 8 -2,-0.2 2,-0.3 -3,-0.0 598,-0.0 -0.984 12.6 176.6-131.4 127.4 166.1 -13.9 73.3 11 11 A K - 0 0 124 -2,-0.5 74,-1.2 1,-0.2 113,-0.1 -0.718 30.7-111.7-116.1 165.6 165.7 -10.6 75.2 12 12 A L B -A 84 0A 20 -2,-0.3 72,-0.2 72,-0.2 -1,-0.2 -0.092 50.8 -67.5 -84.1-169.0 163.7 -10.0 78.3 13 13 A K S > S- 0 0 52 70,-2.5 3,-1.7 72,-0.2 -1,-0.2 -0.655 72.9 -90.2 -77.3 138.1 160.6 -7.9 78.7 14 14 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.259 108.6 9.9 -55.2 139.7 161.6 -4.3 78.0 15 15 A G T 3 S+ 0 0 98 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.610 107.0 111.5 67.2 15.8 162.6 -2.3 81.1 16 16 A M < - 0 0 78 -3,-1.7 -1,-0.2 67,-0.1 -4,-0.1 -0.965 53.2-151.2-126.7 132.4 162.7 -5.4 83.2 17 17 A D - 0 0 67 -2,-0.4 -4,-0.1 1,-0.2 0, 0.0 -0.324 29.6 -81.0 -91.4-179.7 165.7 -7.2 84.7 18 18 A G - 0 0 5 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 -0.211 52.8 -70.7 -81.5 173.0 166.3 -10.9 85.5 19 19 A P + 0 0 0 0, 0.0 38,-3.3 0, 0.0 2,-0.3 -0.374 38.9 175.4 -68.4 127.1 165.3 -13.2 88.4 20 20 A K + 0 0 134 36,-0.3 2,-0.4 -2,-0.2 38,-0.1 -0.715 23.7 150.9-131.6 74.7 167.0 -12.7 91.7 21 21 A V - 0 0 46 36,-0.4 2,-0.1 -2,-0.3 37,-0.1 -0.893 45.3-112.7-112.7 141.7 165.3 -15.2 94.1 22 22 A K - 0 0 123 -2,-0.4 2,-0.6 35,-0.1 35,-0.0 -0.431 27.9-120.0 -74.1 142.7 166.8 -17.0 97.1 23 23 A Q - 0 0 58 -2,-0.1 -1,-0.1 36,-0.1 109,-0.0 -0.731 24.6-140.5 -86.0 119.3 167.4 -20.7 97.0 24 24 A W - 0 0 133 -2,-0.6 36,-0.1 1,-0.1 -1,-0.0 -0.751 22.7-112.8 -86.9 121.7 165.5 -22.6 99.7 25 25 A P - 0 0 95 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.193 33.5-169.2 -54.5 124.5 167.4 -25.4 101.5 26 26 A L - 0 0 28 1,-0.2 35,-0.0 34,-0.1 5,-0.0 -0.273 39.0 -57.3 -99.6-167.4 166.0 -29.0 100.9 27 27 A T > - 0 0 81 -2,-0.1 4,-2.7 1,-0.1 -1,-0.2 -0.250 49.1-106.8 -76.0 162.8 167.0 -32.2 102.7 28 28 A E H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.891 121.2 38.0 -52.0 -49.7 170.5 -33.6 103.0 29 29 A E H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.665 113.3 57.3 -79.0 -18.8 169.9 -36.5 100.6 30 30 A K H > S+ 0 0 25 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.876 110.5 45.4 -74.8 -38.9 167.8 -34.3 98.3 31 31 A I H >X S+ 0 0 12 -4,-2.7 4,-1.6 2,-0.2 3,-0.6 0.904 112.6 48.6 -68.5 -46.9 170.8 -31.9 98.1 32 32 A K H 3X S+ 0 0 61 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.814 109.5 54.4 -64.5 -31.2 173.3 -34.7 97.5 33 33 A A H 3X S+ 0 0 7 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.696 103.7 56.5 -75.1 -22.8 170.9 -36.1 94.8 34 34 A L H S+ 0 0 95 -4,-0.5 4,-2.4 -5,-0.2 3,-0.3 0.939 106.3 50.1 -76.0 -49.3 176.0 -35.3 84.9 41 41 A M H <>S+ 0 0 6 -4,-1.4 5,-2.1 1,-0.2 6,-1.6 0.671 104.4 58.3 -63.7 -24.8 174.7 -32.2 83.0 42 42 A E H <5S+ 0 0 74 -4,-1.4 3,-0.3 4,-0.2 -1,-0.2 0.910 111.9 40.4 -73.1 -42.2 178.0 -30.4 83.2 43 43 A K H <5S+ 0 0 164 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.1 0.889 111.7 56.6 -71.5 -40.6 179.8 -33.2 81.4 44 44 A E T <5S- 0 0 99 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.653 114.3-122.1 -64.7 -15.9 176.9 -33.7 79.0 45 45 A G T 5S+ 0 0 41 -4,-0.4 -3,-0.2 -3,-0.3 -2,-0.1 0.591 80.6 118.2 83.3 13.4 177.4 -30.0 78.2 46 46 A K S - 0 0 23 -2,-0.3 3,-1.4 91,-0.1 -1,-0.0 -0.412 35.5 -92.3-101.1 176.4 180.8 -18.3 89.7 52 52 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.311 105.3 88.6 -69.6 11.9 179.6 -15.6 92.1 53 53 A E T 3 S+ 0 0 148 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.615 70.1 89.0 -84.7 -10.3 180.1 -12.9 89.5 54 54 A N < - 0 0 24 -3,-1.4 73,-0.0 1,-0.1 -4,-0.0 -0.751 61.7-163.9 -89.0 126.5 176.5 -13.6 88.3 55 55 A P + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.733 60.5 82.4 -82.3 -22.9 173.8 -11.6 90.1 56 56 A Y + 0 0 29 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.316 51.0 171.4 -86.6 167.2 170.7 -13.7 89.0 57 57 A N - 0 0 11 -38,-3.3 -36,-0.4 70,-0.1 73,-0.2 -0.978 17.5-158.6-162.5 171.8 169.2 -16.9 90.4 58 58 A T - 0 0 0 -2,-0.3 73,-0.5 -38,-0.1 2,-0.1 -0.969 34.7 -95.2-160.1 141.7 166.3 -19.4 90.4 59 59 A P - 0 0 9 0, 0.0 17,-2.9 0, 0.0 2,-0.5 -0.382 29.2-154.9 -65.5 137.1 164.9 -22.0 92.9 60 60 A V E +D 75 0C 2 71,-0.3 15,-0.2 15,-0.2 2,-0.2 -0.943 20.8 165.0-117.5 118.4 166.0 -25.7 92.7 61 61 A F E -D 74 0C 17 13,-2.7 13,-1.4 -2,-0.5 2,-0.4 -0.643 24.4-134.5-120.1 177.2 163.7 -28.4 94.1 62 62 A A - 0 0 5 -2,-0.2 2,-0.2 11,-0.2 11,-0.2 -0.943 7.1-161.6-144.7 122.1 163.5 -32.2 93.7 63 63 A I - 0 0 56 9,-0.5 9,-0.9 -2,-0.4 3,-0.1 -0.546 21.7-132.1 -88.5 164.2 160.5 -34.5 93.1 64 64 A K - 0 0 101 1,-0.2 2,-0.3 -2,-0.2 6,-0.2 0.978 61.9 -14.5 -87.1 -62.8 160.9 -38.2 93.8 65 65 A K + 0 0 129 4,-0.1 -1,-0.2 6,-0.1 6,-0.1 -0.999 55.7 125.0-153.0 149.4 159.7 -40.5 91.0 66 66 A K S S+ 0 0 171 -2,-0.3 -1,-0.1 4,-0.3 -2,-0.0 0.377 77.7 39.6-164.8 -31.6 157.7 -40.8 87.7 67 67 A D S S- 0 0 100 3,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.902 131.5 -10.0-100.1 -59.7 159.7 -42.3 84.7 68 68 A S S S- 0 0 110 2,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.109 101.8 -97.0-131.6 22.2 162.0 -45.2 85.6 69 69 A T S S+ 0 0 105 1,-0.2 2,-0.2 0, 0.0 -4,-0.1 0.954 87.6 86.5 56.9 69.8 161.8 -44.9 89.4 70 70 A K S S- 0 0 66 -6,-0.2 -4,-0.3 0, 0.0 -3,-0.2 -0.905 81.4 -38.5-167.7-178.4 164.9 -42.9 90.6 71 71 A W + 0 0 72 -2,-0.2 2,-0.3 -6,-0.1 -7,-0.1 -0.232 49.4 179.6 -64.6 143.4 165.9 -39.2 91.2 72 72 A R - 0 0 111 -9,-0.9 -9,-0.5 -8,-0.1 2,-0.2 -0.965 20.2-125.0-139.3 152.5 164.9 -36.2 88.9 73 73 A K - 0 0 16 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.629 18.5-171.7-100.7 157.1 165.6 -32.4 88.9 74 74 A L E -D 61 0C 43 -13,-1.4 -13,-2.7 -2,-0.2 2,-0.4 -0.946 5.3-162.4-151.6 126.9 163.2 -29.4 88.8 75 75 A V E -D 60 0C 10 -2,-0.3 2,-1.2 -15,-0.2 -15,-0.2 -0.906 20.4-132.5-112.8 134.7 163.8 -25.7 88.5 76 76 A D + 0 0 18 -17,-2.9 3,-0.4 -2,-0.4 4,-0.3 -0.701 33.1 165.8 -88.5 93.4 161.3 -23.0 89.4 77 77 A F > + 0 0 5 -2,-1.2 4,-3.1 1,-0.2 5,-0.3 0.375 38.6 114.3 -89.4 8.5 161.3 -20.6 86.4 78 78 A R H > S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.784 80.2 41.7 -47.6 -41.8 158.1 -18.8 87.4 79 79 A E H >> S+ 0 0 56 -3,-0.4 4,-1.7 2,-0.2 3,-0.8 0.941 114.2 50.3 -73.8 -49.7 159.8 -15.5 88.0 80 80 A L H 3> S+ 0 0 0 -4,-0.3 4,-1.6 1,-0.3 3,-0.4 0.919 106.8 56.8 -53.9 -46.3 162.1 -15.7 85.0 81 81 A N H 3< S+ 0 0 42 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.786 105.4 50.1 -56.6 -35.2 159.1 -16.5 82.7 82 82 A K H << S+ 0 0 114 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.872 115.0 44.0 -72.7 -34.5 157.3 -13.3 83.8 83 83 A R H < S+ 0 0 65 -4,-1.7 -70,-2.5 -3,-0.4 2,-0.3 0.620 97.3 95.6 -83.4 -15.0 160.4 -11.3 83.0 84 84 A T B < S-A 12 0A 0 -4,-1.6 -72,-0.2 -72,-0.2 -74,-0.0 -0.614 84.6-104.7 -82.4 138.7 161.0 -13.2 79.7 85 85 A Q - 0 0 8 -74,-1.2 -72,-0.2 -2,-0.3 2,-0.1 0.081 40.3 -99.8 -51.6 164.7 159.7 -11.6 76.5 86 86 A D - 0 0 58 -74,-0.1 2,-0.2 522,-0.1 -1,-0.1 -0.467 36.5-161.6 -85.7 161.6 156.6 -13.0 74.9 87 87 A F - 0 0 16 523,-0.1 2,-0.8 -2,-0.1 521,-0.2 -0.774 37.0 -96.4-132.3 178.4 156.7 -15.4 71.9 88 88 A W + 0 0 32 519,-0.8 520,-0.1 -2,-0.2 523,-0.0 -0.376 60.2 151.8 -98.0 56.0 154.2 -16.5 69.3 89 89 A E + 0 0 65 -2,-0.8 2,-0.5 518,-0.1 -1,-0.2 0.476 39.9 105.1 -61.0 -8.5 153.3 -19.6 71.3 90 90 A V + 0 0 46 -3,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.700 36.5 166.3 -82.5 124.2 149.9 -19.5 69.7 91 91 A Q - 0 0 53 -2,-0.5 -1,-0.1 2,-0.1 601,-0.1 0.377 64.0-100.1-117.5 3.8 149.6 -22.1 67.0 92 92 A L S S- 0 0 60 596,-0.1 2,-0.3 599,-0.0 -2,-0.1 0.707 79.6 -59.4 79.5 27.7 145.8 -21.8 66.7 93 93 A G S S- 0 0 18 599,-0.0 -2,-0.1 598,-0.0 176,-0.0 -0.794 76.4 -52.8 111.7-152.9 145.3 -24.8 68.9 94 94 A I - 0 0 36 -2,-0.3 598,-0.1 175,-0.1 597,-0.0 -0.972 59.0-100.2-130.9 142.1 146.3 -28.5 68.8 95 95 A P - 0 0 12 0, 0.0 597,-0.1 0, 0.0 596,-0.1 -0.159 28.7-138.9 -63.0 160.4 145.7 -30.8 65.8 96 96 A H > - 0 0 15 595,-0.3 3,-1.7 3,-0.1 174,-0.0 -0.984 9.9-136.1-126.9 128.8 142.8 -33.3 65.7 97 97 A P G > S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 222,-0.4 0.650 102.2 67.8 -50.7 -33.5 143.0 -36.9 64.3 98 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.2 219,-0.1 0.367 95.7 63.3 -69.9 3.2 139.7 -36.7 62.4 99 99 A G G < S+ 0 0 11 -3,-1.7 -1,-0.3 592,-0.1 2,-0.3 -0.329 90.9 91.7-117.5 41.0 141.8 -34.3 60.4 100 100 A L < - 0 0 5 -3,-1.0 219,-2.2 3,-0.0 2,-0.2 -0.909 65.0-136.1-130.4 157.9 144.2 -37.0 59.4 101 101 A K - 0 0 90 -2,-0.3 2,-1.1 217,-0.2 219,-0.1 -0.601 32.2 -84.7-115.2 175.0 144.3 -39.3 56.3 102 102 A K - 0 0 108 217,-0.4 2,-0.9 -2,-0.2 3,-0.1 -0.690 43.2-168.8 -79.2 99.0 144.9 -43.0 55.6 103 103 A N - 0 0 40 -2,-1.1 89,-0.2 1,-0.2 88,-0.0 -0.832 23.7-138.5 -99.8 108.7 148.7 -43.4 55.4 104 104 A K S S+ 0 0 131 -2,-0.9 2,-0.3 86,-0.1 88,-0.2 0.756 91.6 11.6 -23.1 -49.2 149.5 -46.8 54.0 105 105 A S E S-E 191 0D 9 86,-1.6 86,-2.4 -3,-0.1 2,-0.3 -0.922 70.8-174.9-134.4 163.1 152.2 -46.7 56.6 106 106 A V E -E 190 0D 19 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.989 4.1-172.9-157.6 147.2 153.0 -44.6 59.6 107 107 A T E -E 189 0D 0 82,-1.8 82,-3.0 -2,-0.3 2,-0.5 -0.994 10.8-151.7-143.8 143.3 155.8 -44.3 62.1 108 108 A V E -E 188 0D 4 -2,-0.3 113,-1.7 80,-0.2 2,-0.4 -0.969 8.7-162.1-121.9 122.4 156.1 -42.2 65.3 109 109 A L E -E 187 0D 0 78,-2.6 78,-1.1 -2,-0.5 2,-0.7 -0.788 13.3-140.0-100.1 141.3 159.5 -41.1 66.6 110 110 A D E -E 186 0D 78 -2,-0.4 2,-1.2 76,-0.2 76,-0.2 -0.901 13.2-140.2-101.8 118.7 159.9 -39.9 70.2 111 111 A V > - 0 0 2 74,-3.3 3,-0.9 -2,-0.7 2,-0.5 -0.685 24.1-151.6 -77.1 99.7 162.2 -36.9 70.3 112 112 A G T 3 S- 0 0 23 103,-1.4 103,-0.5 -2,-1.2 -1,-0.0 -0.663 71.6 -8.0 -81.7 126.1 164.1 -37.8 73.5 113 113 A D T 3 S+ 0 0 100 -2,-0.5 -1,-0.3 101,-0.1 -2,-0.0 0.877 82.6 161.3 55.0 41.1 165.5 -34.9 75.5 114 114 A A S X S+ 0 0 0 -3,-0.9 3,-1.1 1,-0.2 4,-0.5 0.868 71.0 47.8 -55.0 -45.9 164.5 -32.7 72.6 115 115 A Y G > S+ 0 0 22 1,-0.3 3,-1.4 2,-0.2 34,-0.9 0.939 109.0 54.6 -65.0 -46.8 164.6 -29.6 74.8 116 116 A F G 3 S+ 0 0 9 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.211 107.1 52.1 -75.5 19.3 168.0 -30.6 76.2 117 117 A S G < S+ 0 0 19 -3,-1.1 -1,-0.3 32,-0.1 -2,-0.2 0.437 90.2 80.9-128.2 -13.2 169.4 -30.8 72.7 118 118 A V S < S- 0 0 2 -3,-1.4 31,-2.5 -4,-0.5 2,-0.1 -0.899 81.8-121.2 -98.5 130.2 168.5 -27.5 71.3 119 119 A P B -G 148 0E 14 0, 0.0 2,-0.4 0, 0.0 -111,-0.3 -0.361 14.6-130.2 -77.8 154.6 170.8 -24.6 72.3 120 120 A L - 0 0 2 27,-2.4 4,-0.1 -2,-0.1 5,-0.1 -0.790 31.9 -95.6-108.2 138.0 170.2 -21.3 74.1 121 121 A D >> - 0 0 11 -113,-0.6 3,-2.2 -2,-0.4 4,-1.7 -0.213 27.7-139.7 -48.5 116.4 171.3 -17.8 73.2 122 122 A E T 34 S+ 0 0 125 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.838 101.8 67.3 -48.6 -33.5 174.6 -17.1 75.0 123 123 A D T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.254 110.4 32.1 -76.0 17.6 173.1 -13.6 75.6 124 124 A F T X4 S+ 0 0 0 -3,-2.2 3,-3.4 -4,-0.1 4,-0.5 0.536 88.5 93.3-137.1 -36.5 170.4 -15.1 77.8 125 125 A R G >< S+ 0 0 25 -4,-1.7 3,-0.7 1,-0.3 21,-0.3 0.634 76.9 68.5 -35.1 -32.2 172.0 -18.1 79.6 126 126 A K G > S+ 0 0 68 -4,-0.5 3,-0.6 1,-0.2 -1,-0.3 0.684 94.6 57.0 -67.7 -18.4 173.0 -15.9 82.6 127 127 A Y G < S+ 0 0 30 -3,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.710 95.0 63.3 -84.8 -23.4 169.3 -15.5 83.6 128 128 A T G < S+ 0 0 0 -3,-0.7 18,-0.5 -4,-0.5 -1,-0.2 0.177 80.5 141.6 -86.5 17.8 168.7 -19.3 83.8 129 129 A A E < -C 145 0B 0 -3,-0.6 2,-0.4 16,-0.2 16,-0.3 -0.338 27.9-176.8 -68.0 139.1 171.2 -19.4 86.7 130 130 A F E -C 144 0B 0 14,-1.8 14,-2.2 -73,-0.2 2,-0.5 -0.993 18.3-146.4-143.6 133.8 170.8 -21.6 89.7 131 131 A T E -C 143 0B 19 -73,-0.5 -71,-0.3 -2,-0.4 12,-0.2 -0.841 21.2-132.0-100.8 129.1 172.7 -22.2 92.9 132 132 A I - 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0 0 19 -21,-1.6 2,-0.2 -2,-1.1 -3,-0.0 -0.963 49.5-123.2-147.6 168.2 111.5 -5.2 92.9 473 473 A T > - 0 0 73 -2,-0.3 4,-2.1 -27,-0.0 5,-0.3 -0.672 36.3-100.8-113.2 165.1 112.9 -2.6 90.5 474 474 A N H > S+ 0 0 96 1,-0.2 4,-0.6 -2,-0.2 -30,-0.1 0.757 123.8 37.7 -53.6 -29.1 111.5 0.1 88.3 475 475 A Q H > S+ 0 0 99 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.813 110.8 55.2 -93.4 -37.9 111.9 -2.2 85.3 476 476 A K H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.773 107.0 55.5 -66.0 -25.0 111.0 -5.6 86.8 477 477 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.883 102.5 54.7 -73.4 -39.2 107.8 -3.9 87.8 478 478 A E H X S+ 0 0 7 -4,-0.6 4,-0.7 -34,-0.3 -1,-0.2 0.736 110.5 47.7 -65.8 -21.1 107.1 -2.9 84.2 479 479 A L H >X S+ 0 0 6 -4,-0.9 4,-1.2 2,-0.2 3,-0.6 0.904 105.0 56.0 -83.4 -46.3 107.5 -6.6 83.3 480 480 A Q H 3X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 3,-0.2 0.832 103.0 60.1 -54.0 -34.9 105.2 -8.0 86.1 481 481 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.875 100.4 51.3 -63.7 -41.7 102.5 -5.7 84.7 482 482 A I H - 0 0 17 1,-0.2 4,-2.1 -21,-0.1 5,-0.1 -0.741 45.9-176.3 -89.5 112.9 108.9 0.6 78.5 500 500 A Q H > S+ 0 0 94 -2,-0.7 4,-2.1 2,-0.2 5,-0.2 0.957 87.7 60.9 -69.1 -46.1 111.2 0.2 75.5 501 501 A Y H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 110.4 38.6 -42.7 -53.3 113.3 -2.2 77.6 502 502 A A H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-0.3 0.884 107.6 61.5 -68.6 -45.3 110.3 -4.5 78.0 503 503 A L H X S+ 0 0 10 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 0.877 107.5 47.1 -50.5 -41.5 108.9 -4.2 74.6 504 504 A G H X S+ 0 0 25 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.945 100.5 61.1 -68.4 -50.6 112.1 -5.7 73.1 505 505 A I H < S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 114.9 37.6 -49.2 -30.4 112.6 -8.6 75.4 506 506 A I H >< S+ 0 0 10 -4,-1.2 3,-2.2 -3,-0.2 -1,-0.3 0.818 110.2 60.4 -88.4 -39.4 109.3 -10.0 74.2 507 507 A Q H 3< S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.850 97.3 62.1 -54.9 -35.0 109.8 -8.8 70.6 508 508 A A T 3< S- 0 0 12 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 0.373 105.1-133.9 -74.7 1.3 112.9 -11.1 70.6 509 509 A Q < - 0 0 25 -3,-2.2 -145,-0.3 -5,-0.2 -83,-0.1 0.845 24.0-153.6 47.5 60.3 110.7 -14.1 71.2 510 510 A P - 0 0 3 0, 0.0 -147,-0.3 0, 0.0 -1,-0.1 -0.251 18.8-160.1 -66.0 144.2 112.5 -16.0 74.0 511 511 A D S S- 0 0 51 -149,-2.0 2,-0.2 1,-0.2 -148,-0.2 0.881 79.2 -16.2 -84.0 -49.5 112.2 -19.8 74.4 512 512 A K E -P 362 0I 42 -150,-1.4 -150,-1.2 10,-0.0 2,-0.3 -0.649 69.0-161.9-138.3-168.1 113.4 -19.8 78.0 513 513 A S E -P 361 0I 22 -2,-0.2 -152,-0.2 -152,-0.2 -153,-0.1 -0.967 29.9-114.8-170.3 173.5 115.1 -17.3 80.2 514 514 A E S S+ 0 0 81 -154,-1.1 2,-0.6 -2,-0.3 -1,-0.1 0.896 96.1 68.2 -87.7 -47.5 117.1 -16.8 83.5 515 515 A S S >> S- 0 0 43 1,-0.1 3,-1.6 -155,-0.1 4,-1.2 -0.652 81.1-136.4 -81.4 117.9 114.6 -14.7 85.4 516 516 A E H 3> S+ 0 0 145 -2,-0.6 4,-2.4 1,-0.3 5,-0.1 0.711 96.2 65.1 -37.7 -43.8 111.5 -16.6 86.3 517 517 A L H 3> S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.879 101.8 47.1 -54.0 -45.7 109.1 -13.8 85.4 518 518 A V H <> S+ 0 0 2 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.958 108.9 55.2 -64.2 -45.7 109.9 -13.8 81.7 519 519 A N H X S+ 0 0 49 -4,-1.2 4,-2.0 1,-0.3 -2,-0.2 0.914 106.6 53.0 -51.3 -43.3 109.6 -17.6 81.8 520 520 A Q H X S+ 0 0 48 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.903 108.6 48.2 -60.0 -43.9 106.1 -17.0 83.2 521 521 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 -3,-0.2 -1,-0.2 0.856 104.8 59.0 -66.4 -36.2 105.1 -14.7 80.4 522 522 A I H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.973 102.2 55.1 -57.5 -49.3 106.4 -17.0 77.7 523 523 A E H X S+ 0 0 111 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.826 108.2 48.2 -49.3 -45.1 104.0 -19.6 79.0 524 524 A Q H >X S+ 0 0 38 -4,-1.3 4,-1.8 2,-0.2 3,-0.6 0.954 110.5 51.2 -62.2 -50.9 101.1 -17.2 78.5 525 525 A L H 3< S+ 0 0 13 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.884 107.3 51.7 -53.8 -47.2 102.2 -16.3 75.0 526 526 A I H 3< S+ 0 0 79 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.820 113.0 48.2 -61.1 -31.2 102.4 -19.9 73.9 527 527 A K H << S+ 0 0 63 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.773 98.1 86.0 -81.3 -27.0 98.9 -20.3 75.3 528 528 A K < - 0 0 25 -4,-1.8 3,-0.1 -3,-0.2 -36,-0.1 -0.262 64.1-147.2 -77.0 160.8 97.4 -17.2 73.6 529 529 A E S S+ 0 0 123 -38,-1.7 2,-0.5 1,-0.2 -101,-0.2 0.941 80.6 3.1 -88.6 -68.5 96.0 -17.0 70.0 530 530 A K E +r 492 0J 88 -39,-0.7 -37,-0.7 -103,-0.1 2,-0.3 -0.917 70.0 179.9-127.9 107.8 96.7 -13.5 68.7 531 531 A V E -r 493 0J 17 -2,-0.5 -101,-3.1 -103,-0.4 2,-0.4 -0.819 8.0-167.0-107.5 145.8 98.7 -11.1 70.8 532 532 A Y E -r 494 0J 9 -39,-1.4 -37,-3.0 -2,-0.3 2,-0.6 -0.900 0.2-169.4-136.9 107.9 99.7 -7.5 69.9 533 533 A L E +r 495 0J 14 -2,-0.4 -37,-0.2 -103,-0.3 2,-0.2 -0.838 14.6 178.8 -97.8 115.7 102.3 -5.6 71.9 534 534 A A E -r 496 0J 0 -39,-2.3 -37,-0.7 -2,-0.6 2,-0.4 -0.472 15.2-135.7-107.6-177.8 102.5 -1.9 71.0 535 535 A W E +r 497 0J 41 -39,-0.2 -37,-0.2 -2,-0.2 271,-0.1 -0.994 22.1 164.7-148.3 140.0 104.6 1.0 72.3 536 536 A V - 0 0 3 -39,-2.2 267,-0.1 -2,-0.4 266,-0.1 -0.981 42.2 -89.6-147.7 146.8 104.1 4.6 73.3 537 537 A P - 0 0 11 0, 0.0 8,-0.1 0, 0.0 3,-0.1 0.054 34.2-125.1 -56.5 168.2 106.3 7.0 75.3 538 538 A A S S+ 0 0 30 -40,-0.2 4,-0.2 1,-0.1 11,-0.1 0.990 81.0 28.9 -83.0 -78.6 106.3 7.6 79.1 539 539 A H S S+ 0 0 179 -41,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.012 103.2 67.3 -87.8 31.7 105.9 10.9 80.9 540 540 A K S S- 0 0 76 -3,-0.1 2,-4.8 284,-0.0 5,-0.0 -0.709 106.2 -41.4-134.3-174.9 103.7 12.9 78.5 541 541 A G S S+ 0 0 20 -2,-0.2 2,-0.3 5,-0.1 286,-0.2 0.060 75.9 149.0 -43.5 37.1 100.1 12.8 77.1 542 542 A I - 0 0 5 -2,-4.8 4,-0.3 -4,-0.2 5,-0.2 -0.599 52.8-118.6 -79.8 135.2 100.0 9.0 76.6 543 543 A G S >> S+ 0 0 1 -2,-0.3 3,-0.6 1,-0.2 4,-0.6 0.827 102.5 14.2 -32.7 -75.7 96.5 7.5 77.0 544 544 A G H >> S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 3,-0.8 0.860 119.1 67.8 -77.7 -35.0 96.8 5.1 79.9 545 545 A N H 34 S+ 0 0 6 1,-0.3 -1,-0.2 2,-0.2 -3,-0.2 0.283 94.7 59.5 -69.2 8.1 100.1 6.4 81.1 546 546 A E H <4 S+ 0 0 53 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.733 115.7 31.9 -98.3 -40.8 98.4 9.6 82.1 547 547 A Q H << S+ 0 0 122 -3,-0.8 3,-0.3 -4,-0.6 -2,-0.2 0.794 132.9 30.1 -85.7 -33.3 96.0 7.8 84.5 548 548 A V S < S+ 0 0 15 -4,-3.0 2,-1.3 1,-0.2 -3,-0.2 0.881 116.0 54.3 -92.7 -51.0 98.3 4.9 85.6 549 549 A D S S+ 0 0 26 -5,-0.4 2,-0.2 -11,-0.1 -1,-0.2 -0.182 83.1 154.0 -77.9 44.0 101.8 6.5 85.4 550 550 A K - 0 0 43 -2,-1.3 3,-0.3 -3,-0.3 -3,-0.1 -0.553 48.7 -87.6 -79.1 141.3 100.5 9.3 87.7 551 551 A L S S+ 0 0 100 -2,-0.2 3,-0.2 1,-0.2 -1,-0.1 0.167 106.7 32.3 -46.7 157.4 103.0 11.3 89.8 552 552 A V S S- 0 0 103 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.723 88.4-162.2 63.3 26.0 104.2 10.3 93.4 553 553 A S 0 0 58 -3,-0.3 -1,-0.2 1,-0.2 -99,-0.1 -0.136 360.0 360.0 -47.4 110.3 103.8 6.7 92.3 554 554 A A 0 0 104 -3,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.411 360.0 360.0-150.3 360.0 103.6 4.2 95.1 555 !* 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 0.0 556 1 B P 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.9 176.0 2.4 52.5 557 2 B I - 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