==== 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/DNA COMPLEX 10-SEP-09 3JSM . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR K.DAS,E.ARNOLD . 967 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 13.1 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 . 5 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 58 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 23.3 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 5 1 1 3 0 2 1 0 1 2 1 1 1 2 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 3 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 . 8 3 6 2 3 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 . 5 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 90 0, 0.0 2,-0.4 0, 0.0 214,-0.2 0.000 360.0 360.0 360.0-123.9 74.9 50.2 -76.1 2 2 A I - 0 0 73 42,-0.1 116,-0.2 212,-0.1 115,-0.1 -0.911 360.0-121.3-113.2 132.4 71.5 49.7 -77.7 3 3 A S - 0 0 10 114,-3.2 210,-0.1 -2,-0.4 209,-0.1 -0.507 7.5-148.0 -87.3 139.0 69.4 46.5 -76.9 4 4 A P + 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.473 59.4 127.2 -72.6 -2.1 68.0 43.8 -79.2 5 5 A I S S- 0 0 9 207,-0.3 2,-0.2 1,-0.1 158,-0.0 -0.217 76.9 -85.7 -55.0 152.5 65.0 43.3 -76.9 6 6 A E - 0 0 146 1,-0.1 -1,-0.1 157,-0.1 115,-0.1 -0.431 45.4-120.3 -65.1 127.6 61.6 43.6 -78.8 7 7 A T - 0 0 61 -2,-0.2 113,-0.1 -3,-0.1 -1,-0.1 -0.373 26.9-116.0 -67.8 144.2 60.5 47.2 -79.1 8 8 A V - 0 0 19 111,-0.4 113,-0.6 -2,-0.1 2,-0.2 -0.751 28.2-118.2 -88.1 132.9 57.1 47.9 -77.4 9 9 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.464 33.3-171.7 -69.8 127.6 54.2 49.0 -79.8 10 10 A V - 0 0 14 -2,-0.2 2,-0.2 74,-0.0 113,-0.0 -0.984 7.9-176.5-133.6 130.6 52.9 52.5 -79.2 11 11 A K - 0 0 169 -2,-0.4 74,-1.6 595,-0.1 2,-0.3 -0.592 23.9-117.0-109.6 172.5 49.8 54.3 -80.7 12 12 A L B -A 84 0A 29 72,-0.2 72,-0.2 -2,-0.2 3,-0.2 -0.769 44.7 -80.6-110.0 156.9 48.4 57.8 -80.3 13 13 A K S > S- 0 0 75 70,-2.7 3,-1.2 -2,-0.3 -1,-0.1 -0.351 74.4 -76.5 -54.8 127.6 45.1 58.9 -78.8 14 14 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.132 112.9 1.1 -30.1 129.0 42.5 58.4 -81.6 15 15 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.730 98.0 128.7 59.5 30.4 42.7 61.1 -84.2 16 16 A M < - 0 0 96 -3,-1.2 -1,-0.2 67,-0.1 2,-0.2 -0.823 44.2-144.0-116.1 157.9 45.5 63.1 -82.8 17 17 A D - 0 0 75 -2,-0.3 -4,-0.1 1,-0.2 66,-0.0 -0.531 30.9 -83.9-108.5 176.9 48.7 64.4 -84.4 18 18 A G - 0 0 0 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.196 54.1 -81.8 -77.0 172.1 52.2 64.8 -83.1 19 19 A P + 0 0 0 0, 0.0 38,-1.5 0, 0.0 -1,-0.1 -0.408 37.4 178.0 -75.7 150.4 53.6 67.8 -81.1 20 20 A K B +b 57 0B 121 36,-0.3 2,-0.2 -2,-0.1 38,-0.2 -0.005 26.5 138.1-144.7 36.4 54.7 71.0 -82.8 21 21 A V - 0 0 58 36,-1.0 2,-0.1 1,-0.1 58,-0.0 -0.538 49.4-115.0 -84.7 152.0 55.8 73.5 -80.1 22 22 A K - 0 0 182 -2,-0.2 2,-1.2 1,-0.1 -1,-0.1 -0.471 29.7 -97.3 -87.9 158.9 58.9 75.6 -80.5 23 23 A Q - 0 0 14 -2,-0.1 3,-0.1 35,-0.1 -1,-0.1 -0.590 34.8-143.8 -76.7 91.7 62.1 75.6 -78.4 24 24 A W - 0 0 102 -2,-1.2 36,-0.2 1,-0.1 -1,-0.0 -0.345 43.5 -81.3 -57.0 132.5 61.8 78.3 -75.8 25 25 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.160 47.1-161.5 -38.1 145.6 65.4 79.8 -75.4 26 26 A L - 0 0 25 1,-0.1 35,-0.0 -3,-0.1 -3,-0.0 -0.920 26.6 -89.2-131.7 155.1 68.0 78.2 -73.2 27 27 A T > - 0 0 67 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 0.050 33.5-114.4 -57.3 170.6 71.3 79.5 -71.7 28 28 A E H > S+ 0 0 107 2,-0.2 4,-1.0 1,-0.1 -1,-0.1 0.604 116.4 58.3 -81.6 -14.2 74.6 79.4 -73.5 29 29 A E H > S+ 0 0 123 2,-0.2 4,-1.2 3,-0.1 5,-0.2 0.943 105.0 43.8 -78.2 -56.1 75.6 76.9 -70.8 30 30 A K H >> S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 3,-1.3 0.954 112.1 54.4 -56.0 -50.7 73.0 74.3 -71.3 31 31 A I H 3X S+ 0 0 12 -4,-1.4 4,-2.5 1,-0.3 5,-0.4 0.904 102.0 58.3 -50.5 -45.6 73.5 74.5 -75.1 32 32 A K H 3< S+ 0 0 143 -4,-1.0 -1,-0.3 1,-0.2 4,-0.2 0.828 114.6 37.8 -53.5 -34.9 77.2 73.8 -74.6 33 33 A A H S+ 0 0 136 -5,-0.4 4,-0.8 -4,-0.2 -1,-0.2 0.836 114.6 38.5 -77.8 -32.5 78.1 67.8 -76.2 37 37 A I H X S+ 0 0 37 -4,-1.9 4,-3.1 -3,-0.2 3,-0.3 0.913 113.1 53.3 -80.7 -52.5 75.6 65.0 -75.4 38 38 A C H X S+ 0 0 0 -4,-3.7 4,-3.9 1,-0.2 5,-0.4 0.902 103.6 57.4 -53.5 -43.6 73.8 64.9 -78.6 39 39 A T H X S+ 0 0 77 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.930 112.3 42.1 -54.5 -44.0 77.0 64.4 -80.5 40 40 A E H X S+ 0 0 99 -4,-0.8 4,-1.8 -3,-0.3 -1,-0.2 0.908 116.7 48.3 -69.1 -40.6 77.7 61.4 -78.4 41 41 A M H X>S+ 0 0 7 -4,-3.1 5,-2.1 2,-0.2 4,-1.0 0.894 114.4 44.6 -65.7 -42.1 74.1 60.2 -78.7 42 42 A E H ><5S+ 0 0 69 -4,-3.9 3,-0.9 2,-0.2 -2,-0.2 0.953 111.7 52.2 -67.6 -47.7 74.0 60.6 -82.4 43 43 A K H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.865 114.2 45.7 -55.8 -36.3 77.4 59.0 -83.0 44 44 A E H 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.633 116.2-114.8 -83.3 -17.4 76.1 56.1 -80.9 45 45 A G T <<5S+ 0 0 33 -4,-1.0 -3,-0.2 -3,-0.9 -4,-0.1 0.525 80.9 121.1 98.2 4.6 72.7 55.8 -82.6 46 46 A K S - 0 0 26 -2,-0.3 3,-1.4 1,-0.0 93,-0.0 -0.037 47.4 -65.2 -97.4-158.0 65.2 67.1 -92.3 52 52 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.828 117.1 77.4 -59.6 -35.8 62.2 69.2 -93.4 53 53 A E T 3 S+ 0 0 135 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.586 77.7 81.4 -53.7 -16.4 60.0 66.1 -93.9 54 54 A N < - 0 0 14 -3,-1.4 -1,-0.1 1,-0.1 -4,-0.0 -0.858 61.1-171.2 -98.4 106.5 59.5 65.9 -90.2 55 55 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.114 55.5 81.6 -82.5 19.1 56.7 68.4 -89.2 56 56 A Y + 0 0 34 70,-0.2 2,-0.3 74,-0.1 -36,-0.3 -0.845 44.7 166.0-126.9 162.9 57.0 68.1 -85.4 57 57 A N B -b 20 0B 19 -38,-1.5 -36,-1.0 -2,-0.3 73,-0.3 -0.898 12.2-163.7-172.9 144.8 59.2 69.4 -82.6 58 58 A T B -d 130 0C 0 71,-1.2 73,-0.8 -2,-0.3 2,-0.1 -0.945 30.1-107.0-131.8 149.0 59.3 69.6 -78.8 59 59 A P - 0 0 1 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.479 38.2-173.3 -76.7 147.4 61.3 71.8 -76.4 60 60 A V E +F 75 0D 0 71,-0.3 15,-0.2 15,-0.2 2,-0.2 -0.889 10.7 164.2-136.9 168.2 64.2 70.3 -74.4 61 61 A F E -F 74 0D 52 13,-2.0 13,-2.1 -2,-0.3 2,-0.3 -0.814 22.9-112.1-159.7-162.6 66.6 71.2 -71.7 62 62 A A E -F 73 0D 1 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.996 11.5-159.6-153.1 157.6 69.1 69.9 -69.1 63 63 A I E -F 72 0D 75 9,-1.3 9,-1.8 -2,-0.3 2,-0.3 -0.855 21.0-122.0-132.2 163.8 69.8 69.4 -65.4 64 64 A K E -F 71 0D 101 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.799 28.5-136.2-104.1 150.0 72.9 68.8 -63.2 65 65 A R > - 0 0 70 5,-1.5 3,-1.4 3,-0.4 5,-0.0 -0.665 38.8 -70.6-105.2 165.4 73.1 65.7 -61.0 66 66 A K T 3 S- 0 0 201 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 -0.310 116.0 -18.5 -53.0 120.6 74.2 65.3 -57.4 67 67 A D T 3 S+ 0 0 168 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.897 106.5 140.6 41.6 60.0 78.0 65.8 -57.5 68 68 A S < - 0 0 37 -3,-1.4 -3,-0.4 2,-0.2 -1,-0.2 -0.976 59.9-158.4-141.1 131.3 78.2 65.2 -61.3 69 69 A T S S+ 0 0 141 -2,-0.4 2,-0.2 -5,-0.1 -1,-0.1 0.635 83.2 104.3 -67.5 -10.7 80.1 66.6 -64.1 70 70 A K - 0 0 97 -4,-0.1 -5,-1.5 -3,-0.1 2,-0.2 -0.455 59.2-160.5 -82.1 142.3 77.1 64.9 -65.7 71 71 A W E -F 64 0D 41 -7,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.654 15.5-133.0-110.0 168.5 74.0 66.5 -67.1 72 72 A R E -F 63 0D 90 -9,-1.8 -9,-1.3 -2,-0.2 2,-0.6 -0.976 16.9-142.3-127.0 113.5 70.6 64.9 -67.7 73 73 A K E -F 62 0D 5 -2,-0.5 78,-0.3 -11,-0.2 2,-0.3 -0.685 28.3-177.7 -82.2 121.7 69.1 65.6 -71.1 74 74 A L E -F 61 0D 31 -13,-2.1 -13,-2.0 -2,-0.6 2,-0.4 -0.777 18.3-147.2-116.2 162.5 65.3 66.1 -70.6 75 75 A V E -F 60 0D 5 76,-1.6 2,-2.0 -2,-0.3 -15,-0.2 -0.999 17.2-134.3-133.4 132.4 62.5 66.7 -73.0 76 76 A D > + 0 0 27 -17,-2.5 3,-0.7 -2,-0.4 2,-0.3 -0.425 40.1 160.2 -82.2 63.1 59.4 68.7 -72.2 77 77 A F T 3> + 0 0 1 -2,-2.0 4,-2.6 1,-0.2 77,-0.2 0.098 28.2 125.6 -73.9 26.0 57.0 66.2 -73.8 78 78 A R H 3> S+ 0 0 174 -2,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.891 76.5 43.9 -52.1 -40.2 54.2 67.7 -71.8 79 79 A E H X> S+ 0 0 57 -3,-0.7 4,-1.5 2,-0.2 3,-0.9 0.968 111.6 49.0 -70.4 -56.2 52.2 68.1 -75.0 80 80 A L H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.906 102.9 64.8 -49.1 -47.5 53.0 64.7 -76.6 81 81 A N H 3< S+ 0 0 31 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.831 100.8 49.3 -43.4 -47.7 52.0 63.0 -73.4 82 82 A K H << S+ 0 0 159 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.931 114.4 45.6 -59.7 -47.5 48.4 64.2 -73.7 83 83 A R H < S+ 0 0 57 -4,-1.5 -70,-2.7 -3,-0.2 -1,-0.2 0.602 98.9 91.3 -73.5 -12.0 48.2 63.0 -77.3 84 84 A T B < S-A 12 0A 0 -4,-1.3 -72,-0.2 -3,-0.4 -74,-0.0 -0.517 86.3-104.1 -84.7 153.1 49.9 59.6 -76.4 85 85 A Q - 0 0 29 -74,-1.6 2,-0.3 -2,-0.2 -1,-0.1 -0.117 41.5-110.9 -62.5 170.6 47.8 56.6 -75.5 86 86 A D - 0 0 47 520,-0.1 2,-0.2 -74,-0.1 -1,-0.1 -0.852 29.8-153.8-109.6 152.5 47.8 55.7 -71.8 87 87 A F - 0 0 14 -2,-0.3 2,-0.8 520,-0.1 519,-0.2 -0.515 25.2-104.2-110.3 178.7 49.5 52.6 -70.3 88 88 A W - 0 0 26 517,-2.0 519,-0.1 -2,-0.2 521,-0.1 -0.915 39.7-126.9-109.5 103.8 49.0 50.5 -67.3 89 89 A E - 0 0 89 -2,-0.8 66,-0.0 1,-0.2 69,-0.0 -0.306 21.2-165.9 -51.7 120.9 51.7 51.5 -64.8 90 90 A V + 0 0 6 603,-0.0 604,-3.1 -2,-0.0 2,-0.8 0.619 62.1 94.2 -88.8 -16.7 53.5 48.3 -63.8 91 91 A Q - 0 0 41 602,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.687 54.7-173.6 -77.8 111.8 55.3 49.7 -60.8 92 92 A L - 0 0 61 -2,-0.8 2,-0.3 600,-0.2 -1,-0.1 0.338 53.9 -58.3 -90.8 6.9 53.0 48.9 -57.9 93 93 A G S S- 0 0 28 597,-0.1 -1,-0.1 596,-0.0 597,-0.0 -0.991 70.5 -55.9 151.2-154.2 54.8 50.7 -55.1 94 94 A I - 0 0 101 -2,-0.3 597,-0.1 -3,-0.1 2,-0.1 -0.929 39.0-116.4-129.7 149.6 58.2 50.7 -53.4 95 95 A P - 0 0 6 0, 0.0 595,-0.2 0, 0.0 594,-0.1 -0.458 27.7-142.5 -76.3 153.8 60.4 48.1 -51.7 96 96 A H >> - 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0 0 1 74,-2.1 3,-0.6 -2,-0.4 2,-0.3 -0.366 25.9-123.9 -65.3 140.4 72.5 50.2 -65.3 112 112 A G T 3 S- 0 0 10 103,-2.3 103,-0.5 1,-0.3 -1,-0.1 -0.646 82.9 -3.5 -92.2 142.9 74.0 53.0 -67.4 113 113 A D T 3 S- 0 0 85 -2,-0.3 -1,-0.3 101,-0.1 102,-0.1 0.955 86.3-179.5 44.1 52.7 72.2 55.3 -69.8 114 114 A A X + 0 0 10 -3,-0.6 3,-1.8 1,-0.2 4,-0.5 0.952 69.2 37.0 -48.6 -68.3 69.3 53.1 -68.8 115 115 A Y G > S+ 0 0 37 1,-0.3 3,-2.0 2,-0.2 34,-0.8 0.912 111.7 62.4 -52.7 -46.9 66.5 54.5 -70.9 116 116 A F G 3 S+ 0 0 21 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.246 96.2 60.8 -67.3 15.1 68.8 55.2 -73.7 117 117 A S G < S+ 0 0 1 -3,-1.8 -114,-3.2 -115,-0.1 -1,-0.3 0.547 89.5 77.7-113.1 -17.2 69.5 51.4 -74.1 118 118 A V S < S- 0 0 5 -3,-2.0 31,-2.5 -4,-0.5 -1,-0.1 -0.864 83.4-125.3-100.8 120.3 66.0 50.5 -74.8 119 119 A P B -K 148 0G 17 0, 0.0 -111,-0.4 0, 0.0 2,-0.4 -0.133 13.1-132.6 -59.7 152.2 64.8 51.1 -78.4 120 120 A L - 0 0 2 27,-1.6 5,-0.1 -113,-0.1 -113,-0.1 -0.888 42.0 -89.1-105.4 138.6 61.7 53.2 -79.1 121 121 A D >> - 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0 0 18 -3,-1.9 -83,-0.3 1,-0.2 -3,-0.1 0.768 39.9-171.1 60.1 28.0 29.7 56.7 -27.5 510 510 A P + 0 0 2 0, 0.0 -147,-0.2 0, 0.0 -1,-0.2 -0.202 21.9 179.6 -55.1 135.7 31.7 59.4 -29.3 511 511 A D + 0 0 19 -149,-0.5 2,-0.3 1,-0.2 -148,-0.2 0.262 67.8 49.4-119.2 7.9 34.3 61.2 -27.2 512 512 A K E +T 362 0K 49 -150,-1.0 -150,-1.4 10,-0.0 2,-0.3 -0.943 62.5 165.0-151.3 125.5 35.6 63.5 -29.9 513 513 A S E -T 361 0K 18 -2,-0.3 -152,-0.2 -152,-0.2 6,-0.0 -0.916 41.4-130.1-137.3 163.3 33.7 65.7 -32.3 514 514 A E S S+ 0 0 142 -154,-1.5 2,-0.5 -2,-0.3 -153,-0.1 0.816 90.8 76.9 -82.0 -31.1 34.4 68.6 -34.7 515 515 A S S > S- 0 0 48 -155,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.698 73.9-144.5 -87.6 128.2 31.5 70.6 -33.2 516 516 A E H > S+ 0 0 143 -2,-0.5 4,-1.5 1,-0.2 5,-0.1 0.833 99.3 60.1 -54.7 -37.9 32.0 72.3 -29.9 517 517 A L H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.942 102.9 50.5 -57.5 -51.4 28.4 71.7 -28.9 518 518 A V H >> S+ 0 0 5 -3,-0.3 4,-1.4 1,-0.2 3,-0.9 0.948 105.6 55.7 -52.1 -55.1 28.8 67.9 -29.2 519 519 A N H 3X S+ 0 0 60 -4,-1.6 4,-2.7 1,-0.3 3,-0.3 0.836 106.0 51.8 -48.2 -37.7 31.9 67.9 -27.0 520 520 A Q H 3X S+ 0 0 51 -4,-1.5 4,-2.0 -3,-0.5 -1,-0.3 0.874 105.7 55.1 -69.5 -34.1 30.0 69.6 -24.3 521 521 A I H X S+ 0 0 94 -4,-2.7 4,-1.1 1,-0.3 3,-0.6 0.856 112.3 45.3 -33.5 -54.3 31.8 66.0 -21.2 524 524 A Q H >X S+ 0 0 21 -4,-2.0 4,-1.5 1,-0.2 3,-0.8 0.919 107.1 57.9 -59.1 -48.2 28.6 66.1 -19.3 525 525 A L H 3< S+ 0 0 11 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.766 102.3 56.0 -55.9 -27.1 27.7 62.5 -20.2 526 526 A I H << S+ 0 0 68 -4,-1.9 -1,-0.3 -3,-0.6 -2,-0.2 0.866 104.2 53.1 -74.8 -34.1 31.0 61.5 -18.5 527 527 A K H << S+ 0 0 121 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.836 93.6 84.0 -68.8 -35.9 30.0 63.2 -15.2 528 528 A K < - 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