==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, TRANSFERASE 28-OCT-94 1HAR . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE (FINGERS AND PALM . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.UNGE,S.KNIGHT,B.STRANDBERG . 196 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 14.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 92 0, 0.0 2,-0.5 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0-159.7 78.3 57.4 4.1 2 2 A I - 0 0 64 194,-0.1 98,-0.2 128,-0.0 97,-0.1 -0.983 360.0-118.4-123.4 119.8 75.4 55.4 5.5 3 3 A S - 0 0 4 96,-3.5 2,-0.9 -2,-0.5 192,-0.2 -0.246 12.8-131.5 -57.0 135.3 75.8 51.6 5.8 4 4 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.161 66.2 126.8 -78.9 39.0 73.5 49.4 3.7 5 5 A I - 0 0 27 -2,-0.9 140,-0.0 189,-0.1 2,-0.0 -0.771 66.9-103.3-101.6 149.7 72.7 47.3 6.8 6 6 A E - 0 0 188 -2,-0.3 2,-0.1 1,-0.1 97,-0.1 -0.338 39.8-113.9 -68.5 147.5 69.2 46.6 8.1 7 7 A T - 0 0 53 95,-0.1 95,-0.1 93,-0.0 -1,-0.1 -0.443 18.9-121.1 -80.9 155.0 68.0 48.5 11.1 8 8 A V - 0 0 48 93,-0.4 95,-0.5 -2,-0.1 2,-0.2 -0.865 33.5-117.2 -93.5 127.6 67.3 47.0 14.6 9 9 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 93,-0.0 -0.489 37.3-172.0 -69.8 134.6 63.7 47.7 15.7 10 10 A V - 0 0 6 -2,-0.2 2,-0.3 68,-0.0 95,-0.0 -0.939 7.5-174.5-133.1 147.2 63.4 49.8 18.8 11 11 A K - 0 0 130 -2,-0.3 68,-2.2 95,-0.0 2,-0.1 -0.933 26.7-111.6-140.0 159.3 60.6 50.8 21.0 12 12 A L B -A 78 0A 24 -2,-0.3 66,-0.3 66,-0.2 3,-0.1 -0.435 53.7 -84.2 -80.2 163.1 59.9 53.0 24.0 13 13 A K > - 0 0 68 64,-3.4 3,-1.6 1,-0.1 -1,-0.2 -0.318 67.6 -74.9 -59.2 155.4 59.1 51.4 27.3 14 14 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.303 118.0 11.9 -57.7 134.4 55.3 50.5 27.5 15 15 A G T 3 S+ 0 0 93 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.578 101.2 127.2 77.0 11.9 53.0 53.4 28.1 16 16 A M < - 0 0 74 -3,-1.6 -1,-0.3 61,-0.1 2,-0.2 -0.789 42.9-160.7-106.4 142.7 55.7 55.9 27.4 17 17 A D - 0 0 72 -2,-0.4 -4,-0.1 1,-0.2 3,-0.1 -0.636 36.5 -83.5-107.5 170.7 55.7 58.7 25.0 18 18 A G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.181 55.6 -84.7 -67.5 169.7 58.7 60.5 23.5 19 19 A P - 0 0 0 0, 0.0 38,-1.9 0, 0.0 -1,-0.1 -0.409 30.3-170.1 -76.3 151.0 60.5 63.3 25.4 20 20 A K B +b 57 0B 130 36,-0.3 2,-0.4 -2,-0.1 38,-0.2 -0.496 24.1 163.2-136.7 60.8 59.4 66.9 25.2 21 21 A V - 0 0 44 36,-2.7 2,-0.1 1,-0.1 0, 0.0 -0.730 38.8-118.0 -90.5 129.4 62.2 68.7 26.8 22 22 A A - 0 0 82 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.355 28.5-119.4 -64.3 141.3 62.6 72.4 26.4 23 23 A Q - 0 0 37 35,-0.1 -1,-0.1 36,-0.1 3,-0.1 -0.680 22.0-125.8 -84.8 132.1 65.8 73.6 24.6 24 24 A W - 0 0 99 -2,-0.4 36,-0.2 36,-0.2 -1,-0.0 -0.526 33.4-102.7 -73.4 143.5 68.1 75.9 26.5 25 25 A P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.386 45.4-139.9 -63.5 143.4 69.0 79.2 24.7 26 26 A L - 0 0 24 90,-0.1 2,-0.1 -3,-0.1 35,-0.0 -0.750 17.3 -94.1-110.8 159.2 72.4 78.9 23.3 27 27 A T >> - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.463 39.3-119.0 -63.3 137.1 75.4 81.2 23.0 28 28 A A H 3> S+ 0 0 78 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.797 118.0 52.4 -51.0 -32.6 75.3 82.9 19.6 29 29 A A H 3> S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.932 109.0 51.0 -67.3 -41.4 78.7 81.3 18.8 30 30 A K H <> S+ 0 0 61 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.842 109.8 48.6 -64.4 -38.8 77.1 77.9 19.7 31 31 A I H X S+ 0 0 16 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.930 111.5 47.2 -69.1 -47.9 74.1 78.4 17.5 32 32 A A H X S+ 0 0 66 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.909 113.4 52.7 -59.1 -37.9 76.1 79.4 14.4 33 33 A A H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.930 110.1 45.1 -61.9 -50.9 78.4 76.4 15.2 34 34 A L H X S+ 0 0 1 -4,-2.4 4,-3.5 1,-0.2 5,-0.4 0.930 106.7 60.1 -60.9 -45.2 75.6 73.9 15.3 35 35 A V H X S+ 0 0 55 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.836 108.1 44.9 -53.5 -36.7 74.0 75.4 12.2 36 36 A A H X S+ 0 0 53 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.917 114.8 48.5 -74.1 -41.1 77.2 74.5 10.3 37 37 A I H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.963 114.4 44.2 -61.0 -52.4 77.5 71.1 11.8 38 38 A C H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.841 106.8 61.7 -64.6 -33.8 73.8 70.2 11.1 39 39 A T H X S+ 0 0 60 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.934 109.5 40.2 -58.9 -45.1 74.0 71.6 7.6 40 40 A E H X S+ 0 0 90 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.905 113.9 54.6 -71.5 -37.1 76.7 69.1 6.7 41 41 A M H <>S+ 0 0 16 -4,-2.3 5,-2.6 2,-0.2 6,-0.9 0.879 111.5 44.9 -62.1 -38.6 74.9 66.3 8.6 42 42 A E H ><5S+ 0 0 63 -4,-2.9 3,-2.0 4,-0.2 -1,-0.2 0.929 109.8 53.6 -70.5 -44.8 71.8 67.0 6.7 43 43 A K H 3<5S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.886 110.6 49.5 -56.0 -36.2 73.7 67.2 3.4 44 44 A E T 3<5S- 0 0 95 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.457 116.6-115.2 -83.7 -1.7 75.1 63.8 4.3 45 45 A G T < 5S+ 0 0 28 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.627 82.7 120.7 80.1 12.4 71.6 62.3 5.2 46 46 A K S - 0 0 26 -2,-0.3 3,-2.0 1,-0.0 -1,-0.0 -0.356 39.7 -85.6 -99.7-176.3 57.5 69.1 10.3 52 52 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.627 116.5 75.1 -63.5 -14.0 54.8 70.3 12.8 53 53 A E T 3 S+ 0 0 152 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.515 79.7 78.7 -81.2 -4.8 53.6 66.7 13.2 54 54 A N < + 0 0 11 -3,-2.0 -1,-0.1 1,-0.1 -4,-0.1 -0.910 54.9 173.9-102.2 109.0 56.7 65.9 15.3 55 55 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.370 42.8 105.4 -92.6 1.7 56.0 67.2 18.9 56 56 A Y - 0 0 26 52,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.367 43.0-179.2 -86.0 164.4 59.1 65.8 20.5 57 57 A N B -b 20 0B 17 -38,-1.9 -36,-2.7 52,-0.1 55,-0.2 -0.935 14.9-176.3-163.8 140.8 62.3 67.6 21.6 58 58 A T - 0 0 0 53,-1.0 55,-0.5 -2,-0.3 2,-0.1 -0.995 36.3-110.9-134.5 131.8 65.6 66.9 23.3 59 59 A P - 0 0 1 0, 0.0 11,-3.2 0, 0.0 2,-0.3 -0.379 32.1-168.2 -68.2 135.7 68.2 69.7 24.2 60 60 A V E -E 69 0D 0 53,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.762 5.0-176.9-113.1 167.6 71.4 69.9 22.3 61 61 A F E -E 68 0D 46 7,-2.5 7,-3.4 -2,-0.3 2,-0.3 -0.980 22.1-122.7-158.9 158.2 74.5 71.9 23.0 62 62 A A E E 67 0D 2 -2,-0.3 5,-0.2 5,-0.2 -35,-0.1 -0.823 360.0 360.0-105.6 151.4 77.8 72.7 21.5 63 63 A I 0 0 113 3,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.851 360.0 360.0-138.2 360.0 81.1 72.1 23.3 64 ! 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 65 71 A W 0 0 169 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 134.9 82.9 72.7 17.9 66 72 A A - 0 0 45 -3,-2.1 -3,-2.1 2,-0.0 2,-0.4 -0.981 360.0-133.8-126.1 135.1 81.1 69.5 18.8 67 73 A K E -E 62 0D 35 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.731 24.6-170.0 -85.0 136.1 77.4 69.0 18.9 68 74 A L E -E 61 0D 61 -7,-3.4 -7,-2.5 -2,-0.4 2,-0.5 -0.994 8.7-155.2-130.9 132.7 76.1 67.2 22.0 69 75 A V E -E 60 0D 9 -2,-0.4 2,-1.2 64,-0.4 -9,-0.2 -0.918 11.7-142.5-109.4 136.4 72.7 65.9 22.6 70 76 A D > + 0 0 29 -11,-3.2 3,-0.5 -2,-0.5 4,-0.3 -0.695 25.9 170.9 -96.5 85.7 71.3 65.4 26.0 71 77 A F T 3> + 0 0 3 -2,-1.2 4,-3.5 1,-0.2 5,-0.3 0.140 36.1 121.2 -83.4 24.7 69.3 62.2 25.7 72 78 A R H 3> S+ 0 0 167 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.943 79.7 39.2 -51.7 -53.4 68.7 61.9 29.4 73 79 A E H <> S+ 0 0 53 -3,-0.5 4,-1.0 2,-0.2 3,-0.3 0.939 116.7 48.4 -68.1 -47.2 64.9 61.9 29.1 74 80 A L H >> S+ 0 0 0 -4,-0.3 3,-1.3 1,-0.2 4,-0.9 0.948 108.4 57.1 -57.5 -44.2 64.7 59.8 25.9 75 81 A N H 3< S+ 0 0 42 -4,-3.5 3,-0.5 1,-0.3 -1,-0.2 0.832 103.3 53.6 -57.1 -33.9 67.1 57.3 27.5 76 82 A K H 3< S+ 0 0 119 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.795 111.9 44.6 -69.9 -27.4 64.7 56.9 30.4 77 83 A R H << S+ 0 0 59 -3,-1.3 -64,-3.4 -4,-1.0 2,-0.2 0.492 94.5 99.1 -95.9 -5.1 61.8 56.1 28.0 78 84 A T B < S-A 12 0A 0 -4,-0.9 -66,-0.2 -3,-0.5 -68,-0.0 -0.583 77.9-107.2 -89.1 144.9 63.7 53.7 25.8 79 85 A Q - 0 0 56 -68,-2.2 2,-0.2 -2,-0.2 -1,-0.1 -0.058 41.2 -97.5 -58.2 167.3 63.5 50.0 26.0 80 86 A D - 0 0 117 -68,-0.1 2,-0.3 57,-0.0 -1,-0.1 -0.624 36.1-149.0 -87.9 153.9 66.4 48.0 27.4 81 87 A F - 0 0 31 -2,-0.2 2,-1.1 55,-0.1 60,-0.0 -0.794 27.4 -98.5-119.2 160.6 69.0 46.4 25.2 82 88 A W - 0 0 214 -2,-0.3 2,-0.4 58,-0.0 -2,-0.0 -0.705 41.2-155.2 -77.0 105.4 71.0 43.3 25.5 83 89 A E 0 0 108 -2,-1.1 57,-0.0 1,-0.0 -3,-0.0 -0.731 360.0 360.0 -83.2 129.5 74.3 44.7 26.7 84 90 A V 0 0 149 -2,-0.4 59,-0.0 0, 0.0 -2,-0.0 -0.804 360.0 360.0-100.0 360.0 77.3 42.4 25.8 85 ! 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 86 104 A K 0 0 150 0, 0.0 2,-0.4 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 121.9 102.3 40.5 18.7 87 105 A S E -F 173 0E 22 86,-3.1 86,-2.1 89,-0.1 2,-0.4 -0.976 360.0-171.5-124.4 137.2 101.1 43.6 17.0 88 106 A V E -F 172 0E 91 -2,-0.4 2,-0.4 84,-0.2 84,-0.2 -0.963 5.3-174.3-139.6 120.1 98.0 45.5 18.1 89 107 A T E -F 171 0E 45 82,-3.0 82,-3.6 -2,-0.4 2,-0.6 -0.874 13.3-150.7-108.2 141.2 96.3 48.3 16.3 90 108 A V E -F 170 0E 72 -2,-0.4 2,-0.5 80,-0.2 80,-0.2 -0.945 12.1-161.9-115.5 108.3 93.4 50.2 17.9 91 109 A L E -F 169 0E 14 78,-3.1 78,-3.3 -2,-0.6 2,-0.8 -0.795 15.1-136.0 -90.3 125.0 91.0 51.6 15.3 92 110 A D E +F 168 0E 103 -2,-0.5 76,-0.2 76,-0.2 3,-0.2 -0.744 31.7 166.2 -83.4 110.8 88.8 54.4 16.4 93 111 A V > + 0 0 1 74,-2.2 3,-1.1 -2,-0.8 4,-0.3 0.099 38.4 117.4-108.0 20.6 85.2 53.6 15.1 94 112 A G G > S+ 0 0 2 73,-0.9 3,-1.1 1,-0.3 4,-0.2 0.887 76.4 46.1 -55.1 -44.7 83.5 56.2 17.3 95 113 A D G > S+ 0 0 112 1,-0.2 3,-1.2 -3,-0.2 -1,-0.3 0.616 90.5 82.7 -78.6 -8.0 82.3 58.3 14.4 96 114 A A G X + 0 0 2 -3,-1.1 3,-1.9 1,-0.2 4,-0.3 0.600 69.0 83.5 -71.8 -9.1 81.0 55.3 12.5 97 115 A Y G X S+ 0 0 8 -3,-1.1 3,-1.9 -4,-0.3 34,-0.8 0.921 84.0 61.8 -54.2 -40.0 77.8 55.4 14.7 98 116 A F G < S+ 0 0 21 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.307 97.3 57.1 -72.1 8.1 76.7 58.0 12.2 99 117 A S G < S+ 0 0 5 -3,-1.9 -96,-3.5 -97,-0.1 -1,-0.3 0.343 86.8 88.3-115.4 -2.0 76.8 55.5 9.4 100 118 A V S < S- 0 0 2 -3,-1.9 31,-1.8 -4,-0.3 42,-0.1 -0.881 82.3-120.6 -99.2 126.3 74.5 53.0 10.9 101 119 A P B -H 130 0F 18 0, 0.0 2,-0.4 0, 0.0 -93,-0.4 -0.334 19.1-136.1 -63.9 142.8 70.8 53.6 10.1 102 120 A L - 0 0 1 27,-2.5 5,-0.2 -95,-0.1 -95,-0.1 -0.839 38.5 -87.1 -98.0 138.6 68.3 54.2 12.9 103 121 A D >> - 0 0 23 -95,-0.5 3,-1.7 -2,-0.4 4,-1.1 -0.184 38.1-132.4 -43.3 126.2 64.9 52.4 12.9 104 122 A E T 34 S+ 0 0 140 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.806 102.9 52.4 -55.8 -39.2 62.5 54.6 10.8 105 123 A D T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.637 110.1 49.2 -74.0 -14.0 59.7 54.4 13.3 106 124 A F T X4 S+ 0 0 1 -3,-1.7 3,-2.1 1,-0.1 4,-0.3 0.718 86.7 87.0 -95.7 -18.0 62.0 55.5 16.2 107 125 A R G >< S+ 0 0 44 -4,-1.1 3,-1.7 1,-0.3 21,-0.5 0.753 78.2 65.2 -54.0 -35.6 63.6 58.5 14.4 108 126 A K G > S+ 0 0 76 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.742 92.1 62.4 -62.4 -26.6 60.8 60.9 15.4 109 127 A Y G < S+ 0 0 38 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.591 93.7 64.6 -73.9 -11.1 61.8 60.5 19.2 110 128 A T G < S+ 0 0 0 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.187 72.8 144.0 -97.1 14.4 65.2 62.0 18.5 111 129 A A < + 0 0 0 -3,-1.0 -53,-1.0 16,-0.1 2,-0.3 -0.239 21.1 171.4 -58.1 140.4 63.8 65.4 17.4 112 130 A F E -D 126 0C 0 14,-2.2 14,-2.4 -55,-0.2 2,-0.4 -0.962 22.8-135.0-147.8 159.3 65.9 68.4 18.5 113 131 A T E -D 125 0C 22 -55,-0.5 -53,-0.4 -2,-0.3 12,-0.2 -0.962 5.7-146.0-121.9 129.8 65.9 72.1 17.7 114 132 A I E -D 124 0C 1 10,-2.6 10,-1.0 -2,-0.4 -83,-0.0 -0.890 39.9-120.5 -87.0 121.7 68.7 74.4 16.9 115 133 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 8,-0.2 -0.156 21.8-112.0 -59.8 156.4 67.6 77.7 18.6 116 134 A S > - 0 0 20 5,-0.3 3,-1.8 6,-0.2 2,-0.2 -0.710 36.4 -97.0 -92.4 145.0 67.1 80.9 16.6 117 135 A I G > S- 0 0 68 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 -0.413 105.5 -5.5 -63.3 122.9 69.4 83.9 17.0 118 136 A N G 3 S- 0 0 97 1,-0.3 -1,-0.3 -2,-0.2 -90,-0.0 0.712 117.2 -76.9 66.7 26.3 67.9 86.4 19.5 119 137 A N G < S+ 0 0 92 -3,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.646 106.5 124.2 59.0 14.2 64.6 84.4 19.8 120 138 A E < + 0 0 83 -3,-1.6 -2,-0.1 -4,-0.1 -4,-0.1 0.974 61.0 35.8 -65.2 -87.4 63.9 85.9 16.4 121 139 A T S S- 0 0 60 -4,-0.4 -5,-0.3 1,-0.1 3,-0.0 -0.046 89.9-109.8 -63.2 166.1 63.2 83.0 14.0 122 140 A P - 0 0 135 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 0.805 57.7-114.7 -68.6 -32.1 61.4 79.8 15.1 123 141 A G - 0 0 22 -8,-0.2 2,-0.4 -10,-0.0 -7,-0.1 0.054 26.5 -82.8 104.5 142.9 64.4 77.5 14.9 124 142 A I E - D 0 114C 49 -10,-1.0 -10,-2.6 -9,-0.2 2,-0.4 -0.686 38.2-153.2 -87.6 131.0 65.3 74.5 12.8 125 143 A R E + D 0 113C 54 -2,-0.4 -75,-1.3 -75,-0.3 2,-0.3 -0.818 20.0 167.2-103.9 137.1 64.0 71.1 13.7 126 144 A Y E -CD 49 112C 5 -14,-2.4 -14,-2.2 -2,-0.4 2,-0.3 -0.912 18.8-155.5-136.9 166.6 65.7 67.9 12.8 127 145 A Q E -C 48 0C 36 -79,-1.7 -79,-2.2 -2,-0.3 2,-0.3 -0.942 30.0-101.7-136.6 160.7 65.6 64.3 13.7 128 146 A Y E -C 47 0C 7 -21,-0.5 -81,-0.3 -2,-0.3 -18,-0.2 -0.621 22.5-176.1 -85.1 144.0 68.3 61.6 13.4 129 147 A N S S+ 0 0 17 -83,-2.7 -27,-2.5 -2,-0.3 2,-0.3 0.367 77.3 42.9-108.1 -6.4 68.4 59.0 10.6 130 148 A V B S-H 101 0F 0 -84,-0.8 -32,-0.2 -29,-0.3 -33,-0.1 -0.814 110.1 -63.1-133.3 171.0 71.3 57.3 12.2 131 149 A L - 0 0 0 -31,-1.8 2,-0.2 -34,-0.8 -31,-0.1 -0.414 54.4-142.7 -60.9 121.5 72.4 56.2 15.7 132 150 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 2,-0.4 -0.530 20.8-108.3 -81.2 154.3 72.9 59.4 17.7 133 151 A Q T 3 S+ 0 0 70 1,-0.2 -64,-0.4 -2,-0.2 -62,-0.2 -0.689 101.4 25.0 -86.9 135.2 75.7 59.5 20.2 134 152 A G T 3 S+ 0 0 55 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.423 88.3 129.3 95.5 -3.2 74.7 59.4 23.8 135 153 A W X - 0 0 4 -3,-1.0 3,-1.2 1,-0.1 -1,-0.4 -0.692 67.1-119.6 -85.0 142.6 71.5 57.6 23.1 136 154 A K T 3 S+ 0 0 42 -2,-0.3 4,-0.4 1,-0.2 -55,-0.1 0.807 106.5 42.5 -50.4 -43.2 70.8 54.4 25.2 137 155 A G T 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.573 89.2 87.9 -88.0 -6.5 70.6 51.9 22.3 138 156 A S H <> S+ 0 0 0 -3,-1.2 4,-3.0 2,-0.2 5,-0.3 0.921 87.4 48.4 -60.2 -48.8 73.5 53.1 20.1 139 157 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.942 116.5 43.6 -56.5 -46.6 76.4 51.0 21.7 140 158 A A H > S+ 0 0 18 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.867 117.8 43.2 -70.2 -38.9 74.4 47.8 21.6 141 159 A I H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 115.8 49.9 -74.7 -36.4 73.0 48.3 18.0 142 160 A F H X S+ 0 0 0 -4,-3.0 4,-3.5 -5,-0.3 5,-0.3 0.966 110.7 47.6 -63.2 -55.1 76.5 49.5 16.8 143 161 A Q H X S+ 0 0 53 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.919 113.6 49.9 -51.7 -45.2 78.4 46.5 18.3 144 162 A S H X S+ 0 0 46 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.915 114.2 43.2 -61.0 -46.9 75.8 44.2 16.8 145 163 A S H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 3,-0.2 0.928 112.7 52.9 -65.4 -45.6 76.0 45.7 13.3 146 164 A M H X S+ 0 0 1 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.944 106.2 54.8 -55.3 -48.0 79.8 45.9 13.5 147 165 A T H X S+ 0 0 60 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.865 109.5 45.9 -53.9 -41.0 79.9 42.2 14.3 148 166 A K H < S+ 0 0 153 -4,-1.5 -1,-0.2 -3,-0.2 3,-0.2 0.888 111.7 51.4 -73.1 -38.6 77.8 41.3 11.2 149 167 A I H < S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.887 114.3 44.3 -60.7 -39.7 79.9 43.5 9.0 150 168 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.2 3,-0.3 0.627 87.7 90.5 -84.0 -14.4 83.1 41.9 10.3 151 169 A A H X S+ 0 0 53 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.912 89.8 44.8 -48.5 -54.0 81.9 38.3 10.2 152 170 A P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.847 114.4 50.0 -60.8 -35.1 83.2 37.7 6.5 153 171 A F H > S+ 0 0 14 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.930 109.3 49.8 -70.9 -43.7 86.5 39.4 7.3 154 172 A K H < S+ 0 0 75 -4,-2.7 6,-0.2 2,-0.2 -1,-0.2 0.881 108.6 54.8 -61.2 -38.6 87.1 37.3 10.4 155 173 A A H < S+ 0 0 74 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.976 111.4 42.7 -56.8 -56.1 86.3 34.2 8.4 156 174 A A H < S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.736 123.8 38.6 -64.4 -25.0 89.0 35.0 5.8 157 175 A N >< + 0 0 20 -4,-1.8 3,-1.3 -5,-0.1 -1,-0.3 -0.510 59.4 154.0-129.5 70.3 91.5 36.1 8.4 158 176 A P T 3 + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.431 68.7 76.3 -73.7 2.1 91.2 33.7 11.4 159 177 A D T 3 S+ 0 0 85 -3,-0.1 15,-0.5 -5,-0.1 2,-0.4 0.293 88.1 70.7 -93.7 7.1 94.9 34.6 12.1 160 178 A I S < S- 0 0 12 -3,-1.3 2,-0.8 -6,-0.2 13,-0.2 -0.979 74.0-141.1-128.4 134.7 93.8 38.0 13.5 161 179 A V E -G 172 0E 99 11,-2.7 11,-2.0 -2,-0.4 2,-0.7 -0.862 19.6-172.9 -97.7 106.6 92.0 38.7 16.7 162 180 A I E +G 171 0E 18 -2,-0.8 2,-0.4 9,-0.2 9,-0.2 -0.905 11.3 171.3-100.7 119.6 89.5 41.5 16.2 163 181 A Y E -G 170 0E 116 7,-2.8 7,-3.5 -2,-0.7 2,-0.6 -0.981 20.3-147.2-129.5 138.9 87.9 42.6 19.4 164 182 A Q E +G 169 0E 21 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.924 16.0 179.1-113.7 120.2 85.6 45.5 20.0 165 183 A Y E > -G 168 0E 150 3,-1.4 3,-2.7 -2,-0.6 -2,-0.0 -0.944 65.7 -77.5 -99.0 135.5 85.5 47.6 23.2 166 184 A M T 3 S+ 0 0 108 -2,-0.5 -72,-0.1 1,-0.3 -1,-0.1 -0.014 117.2 8.7 -49.2 138.9 82.9 50.1 22.2 167 185 A D T 3 S+ 0 0 53 -74,-0.2 -74,-2.2 -28,-0.1 -73,-0.9 0.110 121.1 77.7 81.2 -19.2 84.1 52.9 19.9 168 186 A D E < -FG 92 165E 44 -3,-2.7 -3,-1.4 -76,-0.2 2,-0.5 -0.971 63.9-153.3-126.1 136.8 87.4 51.1 19.4 169 187 A L E -FG 91 164E 0 -78,-3.3 -78,-3.1 -2,-0.4 2,-0.6 -0.936 14.6-154.8-105.8 123.7 88.3 48.2 17.3 170 188 A Y E -FG 90 163E 72 -7,-3.5 -7,-2.8 -2,-0.5 2,-0.5 -0.904 12.0-173.8-102.7 117.8 91.3 46.3 18.7 171 189 A V E +FG 89 162E 2 -82,-3.6 -82,-3.0 -2,-0.6 2,-0.4 -0.949 8.3 170.2-116.5 122.7 93.2 44.3 16.1 172 190 A G E +FG 88 161E 6 -11,-2.0 -11,-2.7 -2,-0.5 2,-0.3 -0.945 6.0 151.1-131.7 149.7 96.0 42.0 17.0 173 191 A S E -F 87 0E 2 -86,-2.1 -86,-3.1 -2,-0.4 -13,-0.1 -0.963 47.4-122.8-163.5 162.3 98.1 39.4 15.3 174 192 A D S S+ 0 0 125 -15,-0.5 3,-0.1 -2,-0.3 -14,-0.1 0.248 71.5 125.1 -96.8 13.2 101.5 37.9 15.5 175 193 A L S S- 0 0 51 -16,-0.2 -2,-0.1 -88,-0.1 5,-0.0 -0.300 74.3 -91.6 -63.6 153.1 102.3 38.9 12.0 176 194 A A > - 0 0 70 1,-0.1 4,-2.5 4,-0.1 5,-0.3 -0.305 46.6 -96.8 -63.5 156.0 105.3 41.0 11.3 177 195 A I H > S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.737 123.4 47.6 -49.6 -28.1 104.7 44.7 11.4 178 196 A G H > S+ 0 0 49 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.922 113.4 42.0 -83.1 -46.1 104.4 44.8 7.6 179 197 A A H > S+ 0 0 52 -3,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.732 117.3 51.0 -72.7 -23.4 102.0 41.9 7.0 180 198 A H H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 3,-0.2 0.912 108.3 50.3 -74.3 -46.5 99.9 43.0 10.0 181 199 A R H X S+ 0 0 132 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.767 108.6 54.1 -60.7 -31.7 99.7 46.7 8.8 182 200 A T H X S+ 0 0 80 -4,-1.3 4,-1.7 2,-0.2 -1,-0.3 0.841 106.9 50.8 -69.3 -38.0 98.6 45.3 5.4 183 201 A K H X S+ 0 0 28 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.891 106.1 54.6 -67.3 -39.4 95.8 43.4 7.2 184 202 A I H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 109.1 49.7 -60.3 -35.0 94.7 46.5 9.0 185 203 A E H X S+ 0 0 54 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.828 107.6 51.1 -76.3 -33.7 94.4 48.2 5.6 186 204 A E H X S+ 0 0 94 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.839 111.1 51.5 -68.0 -35.3 92.4 45.4 4.1 187 205 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.963 107.6 50.5 -62.7 -53.4 90.1 45.7 7.2 188 206 A R H X S+ 0 0 80 -4,-2.5 4,-1.7 1,-0.2 10,-0.2 0.849 111.8 48.5 -54.2 -38.1 89.7 49.5 6.7 189 207 A Q H X S+ 0 0 121 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.862 109.6 51.8 -73.4 -35.8 88.8 48.9 3.0 190 208 A H H X S+ 0 0 28 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.928 110.0 48.8 -62.4 -46.5 86.3 46.3 3.9 191 209 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-0.7 0.892 108.3 55.8 -60.5 -37.4 84.6 48.6 6.4 192 210 A L H ><5S+ 0 0 73 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.845 97.2 61.1 -64.0 -36.5 84.6 51.2 3.7 193 211 A R H 3<5S+ 0 0 213 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.844 107.3 49.6 -55.8 -30.1 82.7 48.9 1.4 194 212 A W T <<5S- 0 0 79 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.142 124.1-100.7 -99.1 16.5 80.1 49.1 4.1 195 213 A G T < 5S+ 0 0 7 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.311 85.0 122.3 87.3 -12.8 79.9 52.8 4.6 196 214 A L < - 0 0 0 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.735 47.0-157.2 -89.6 125.2 82.1 52.9 7.7 197 215 A T 0 0 86 -2,-0.5 -102,-0.1 -196,-0.1 -8,-0.1 -0.908 360.0 360.0-102.7 128.1 85.2 55.1 7.5 198 216 A T 0 0 49 -2,-0.5 -106,-0.2 -10,-0.2 -1,-0.1 0.030 360.0 360.0-133.5 360.0 88.1 54.3 9.9