==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JAN-11 3QIP . COMPND 2 MOLECULE: REVERSE HIV-1 REVERSE TRANSCRIPTASE P66; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR E.B.LANSDON,T.A.KIRSCHBERG . 956 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 13.4 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 0.6 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 . 45 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 1 2 4 0 1 0 2 1 1 1 4 0 2 2 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 2 6 1 3 4 4 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 1 4 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 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 78 0, 0.0 2,-0.4 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 170.2 32.5 2.8 29.8 2 2 A I - 0 0 57 211,-0.1 115,-0.2 145,-0.0 114,-0.1 -0.997 360.0-114.4-122.5 122.1 34.2 6.2 29.8 3 3 A S - 0 0 4 113,-2.9 209,-0.2 -2,-0.4 208,-0.1 -0.218 9.1-140.7 -58.3 139.4 34.2 7.9 26.4 4 4 A P + 0 0 91 0, 0.0 -1,-0.2 0, 0.0 208,-0.1 0.296 61.1 129.7 -83.0 14.1 37.5 8.4 24.7 5 5 A I S S- 0 0 15 206,-0.3 157,-0.1 1,-0.1 161,-0.0 -0.387 71.4 -96.7 -63.5 141.8 36.3 11.8 23.5 6 6 A E - 0 0 158 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.229 45.4-112.0 -53.0 148.0 38.7 14.7 24.2 7 7 A T - 0 0 44 112,-0.1 112,-0.1 -3,-0.1 -1,-0.1 -0.486 20.4-114.8 -84.2 158.5 37.9 16.6 27.3 8 8 A V - 0 0 8 110,-0.4 112,-0.5 -2,-0.1 2,-0.1 -0.808 35.2-119.1 -87.8 126.2 36.6 20.2 27.5 9 9 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 593,-0.0 -0.444 37.1-169.2 -68.1 140.8 39.2 22.4 29.2 10 10 A V - 0 0 10 -2,-0.1 2,-0.3 73,-0.0 594,-0.0 -0.968 10.0-175.3-135.0 146.5 37.8 23.9 32.4 11 11 A K - 0 0 146 -2,-0.3 73,-2.0 593,-0.1 2,-0.1 -0.953 25.5-115.9-138.2 159.1 38.9 26.6 34.8 12 12 A L B -A 83 0A 21 -2,-0.3 71,-0.3 71,-0.2 70,-0.1 -0.368 58.5 -70.1 -79.4 170.0 37.8 28.2 38.0 13 13 A K > - 0 0 66 69,-2.6 3,-0.9 4,-0.1 -1,-0.2 -0.386 59.3 -95.0 -67.6 147.0 36.8 31.9 38.1 14 14 A P T 3 S+ 0 0 143 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 0.700 117.3 29.2 -34.7 -59.7 39.7 34.4 37.6 15 15 A G T 3 S+ 0 0 74 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.475 103.9 96.0-106.5 64.7 40.6 35.2 41.2 16 16 A M < - 0 0 98 -3,-0.9 2,-0.2 -2,-0.7 -4,-0.2 -1.000 52.3-148.2-154.2 145.2 39.6 32.0 43.0 17 17 A D - 0 0 68 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.567 43.2 -76.7-104.4 173.4 41.0 28.7 44.3 18 18 A G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 109,-0.1 -0.111 60.0 -83.6 -65.0 165.1 39.3 25.3 44.6 19 19 A P - 0 0 0 0, 0.0 38,-0.9 0, 0.0 -1,-0.1 -0.307 34.0-171.8 -74.0 159.1 36.8 24.6 47.4 20 20 A K B +b 57 0B 126 36,-0.3 2,-0.4 -3,-0.1 38,-0.2 -0.445 21.4 158.8-146.9 59.5 37.9 23.5 50.9 21 21 A V - 0 0 48 36,-2.1 2,-0.2 1,-0.0 0, 0.0 -0.764 41.1-119.7 -93.0 133.9 34.8 22.5 52.7 22 22 A K - 0 0 160 -2,-0.4 2,-0.3 1,-0.1 -2,-0.0 -0.512 28.0-112.8 -76.3 136.3 35.2 20.2 55.7 23 23 A Q - 0 0 12 -2,-0.2 -1,-0.1 35,-0.1 3,-0.0 -0.509 27.8-128.0 -70.5 128.5 33.5 16.8 55.6 24 24 A W - 0 0 177 -2,-0.3 36,-0.2 36,-0.2 2,-0.1 -0.535 31.9-101.9 -70.4 141.6 30.7 16.4 58.1 25 25 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.465 43.8-152.4 -65.8 138.4 30.9 13.3 60.3 26 26 A L - 0 0 19 107,-0.3 109,-0.5 -2,-0.1 110,-0.2 -0.832 16.4-101.8-117.7 151.9 28.6 10.5 59.1 27 27 A T > - 0 0 75 -2,-0.3 4,-1.9 107,-0.1 5,-0.2 -0.200 40.3-108.1 -61.0 159.7 26.7 7.6 60.7 28 28 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 115.2 53.2 -61.9 -47.5 28.2 4.1 60.2 29 29 A E H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 111.5 47.7 -57.3 -38.0 25.6 2.7 57.8 30 30 A K H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 109.7 52.4 -73.5 -32.7 26.1 5.8 55.5 31 31 A I H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.924 110.6 49.1 -64.1 -41.7 29.8 5.3 55.7 32 32 A K H X S+ 0 0 140 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.977 109.4 50.5 -59.6 -59.1 29.3 1.7 54.6 33 33 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.868 113.1 47.7 -42.1 -46.4 27.1 2.6 51.7 34 34 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.901 109.0 51.4 -69.6 -42.7 29.6 5.1 50.5 35 35 A V H X S+ 0 0 50 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.919 114.3 45.9 -58.7 -40.7 32.6 2.8 50.8 36 36 A E H X S+ 0 0 106 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.919 114.8 45.4 -71.1 -44.2 30.7 0.3 48.8 37 37 A I H X S+ 0 0 28 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.930 115.6 46.4 -62.2 -46.8 29.5 2.7 46.1 38 38 A C H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.892 105.9 59.7 -68.2 -37.8 32.9 4.3 45.7 39 39 A T H X S+ 0 0 65 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.926 111.1 41.6 -53.5 -46.5 34.6 0.9 45.6 40 40 A E H X S+ 0 0 125 -4,-1.6 4,-1.8 2,-0.2 5,-0.2 0.961 114.6 49.8 -65.5 -51.0 32.5 0.1 42.5 41 41 A M H X>S+ 0 0 14 -4,-2.6 5,-1.8 1,-0.2 6,-0.8 0.895 110.5 53.1 -54.9 -39.4 32.9 3.5 40.9 42 42 A E H ><5S+ 0 0 47 -4,-3.4 3,-1.1 1,-0.2 -1,-0.2 0.921 106.3 51.0 -63.3 -43.1 36.6 3.2 41.5 43 43 A K H 3<5S+ 0 0 152 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 110.0 50.4 -65.8 -30.0 36.9 -0.1 39.7 44 44 A E H 3<5S- 0 0 101 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.525 117.3-114.9 -85.0 -6.6 35.0 1.3 36.7 45 45 A G T <<5S+ 0 0 25 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.471 81.1 124.3 88.5 3.2 37.4 4.3 36.6 46 46 A K S + 0 0 5 -2,-1.3 4,-3.0 1,-0.2 77,-0.2 0.050 37.6 115.2 -92.1 27.5 29.0 20.8 44.9 77 78 A R H > S+ 0 0 175 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.934 78.6 46.0 -62.3 -44.1 27.8 24.4 45.9 78 79 A E H > S+ 0 0 62 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.973 116.9 44.1 -66.4 -48.1 31.2 25.6 46.8 79 80 A L H > S+ 0 0 0 -4,-0.2 4,-1.0 2,-0.2 3,-0.3 0.923 113.6 51.4 -56.6 -49.3 32.8 24.2 43.7 80 81 A N H >< S+ 0 0 42 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.908 107.0 53.5 -57.2 -44.7 29.9 25.5 41.5 81 82 A K H 3< S+ 0 0 146 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.865 114.9 42.4 -54.7 -36.2 30.3 28.9 43.0 82 83 A R H 3< S+ 0 0 66 -4,-1.5 -69,-2.6 -3,-0.3 -1,-0.2 0.542 95.3 97.4 -94.3 -6.6 34.0 28.8 42.0 83 84 A T B << S-A 12 0A 0 -4,-1.0 -71,-0.2 -3,-0.7 -73,-0.0 -0.575 78.6-104.6 -87.8 146.1 33.6 27.3 38.5 84 85 A Q - 0 0 27 -73,-2.0 2,-0.1 -2,-0.2 -1,-0.1 -0.107 39.6 -99.0 -57.9 160.5 33.5 29.3 35.3 85 86 A D - 0 0 59 519,-0.1 2,-0.3 -73,-0.1 -1,-0.1 -0.477 41.4-150.1 -73.9 157.2 30.3 30.0 33.5 86 87 A F - 0 0 23 -2,-0.1 518,-0.2 520,-0.1 2,-0.2 -0.848 31.2 -75.0-126.9 162.6 29.6 27.8 30.5 87 88 A W - 0 0 45 516,-3.1 520,-0.1 -2,-0.3 521,-0.0 -0.402 64.1-104.0 -56.5 123.0 27.7 28.1 27.2 88 89 A E - 0 0 76 518,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.206 35.7-176.1 -58.8 134.7 24.1 27.9 28.1 89 90 A V S S+ 0 0 52 1,-0.1 2,-2.3 -3,-0.1 3,-0.3 0.717 71.7 75.8 -97.3 -30.6 22.4 24.6 27.3 90 91 A Q + 0 0 157 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.380 57.3 129.3 -82.8 63.8 18.9 25.7 28.3 91 92 A L S S- 0 0 88 -2,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.509 72.3 -57.0-103.8 -0.5 18.3 27.7 25.2 92 93 A G - 0 0 43 -3,-0.3 -1,-0.4 595,-0.1 0, 0.0 -0.528 43.6-118.6 136.4 150.1 14.9 26.4 24.0 93 94 A I - 0 0 58 -2,-0.2 595,-0.1 -3,-0.1 2,-0.1 -0.837 34.4 -99.6-117.8 156.2 13.1 23.2 23.0 94 95 A P - 0 0 5 0, 0.0 593,-0.1 0, 0.0 287,-0.1 -0.437 30.1-128.7 -68.6 146.9 11.5 22.3 19.7 95 96 A H > - 0 0 23 1,-0.1 3,-2.3 -2,-0.1 4,-0.5 -0.830 18.1-128.8 -89.6 135.7 7.7 22.6 19.4 96 97 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.850 105.2 66.9 -51.3 -33.1 6.2 19.4 18.1 97 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.0 0.655 96.7 55.9 -65.4 -16.1 4.3 21.3 15.4 98 99 A G G < S+ 0 0 2 -3,-2.3 -1,-0.3 219,-0.1 219,-0.1 0.560 87.0 100.8 -90.5 -9.8 7.6 22.2 13.8 99 100 A L S < S- 0 0 46 -3,-1.8 219,-2.8 -4,-0.5 2,-0.4 -0.377 73.0-122.1 -73.0 153.3 8.8 18.5 13.4 100 101 A K - 0 0 84 217,-0.2 219,-0.1 1,-0.1 -2,-0.1 -0.804 34.9-100.1 -95.6 139.8 8.5 16.7 10.1 101 102 A K - 0 0 132 217,-0.4 2,-0.3 -2,-0.4 135,-0.2 -0.219 41.9-164.4 -56.9 142.1 6.5 13.4 9.9 102 103 A K - 0 0 37 133,-2.6 89,-0.2 1,-0.1 3,-0.1 -0.949 29.7-137.8-128.9 151.8 8.5 10.1 10.1 103 104 A K S S+ 0 0 147 87,-1.0 2,-0.3 -2,-0.3 88,-0.2 0.926 94.1 12.1 -65.5 -46.2 7.7 6.5 9.4 104 105 A S E -G 190 0E 26 86,-2.0 86,-2.2 131,-0.1 2,-0.4 -0.989 59.3-173.5-135.7 142.5 9.6 5.4 12.5 105 106 A V E -G 189 0E 31 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.984 9.7-169.4-134.5 130.2 11.0 7.1 15.6 106 107 A T E -G 188 0E 17 82,-2.6 82,-2.4 -2,-0.4 2,-0.5 -0.909 11.5-145.9-118.3 136.2 13.1 5.3 18.2 107 108 A V E -G 187 0E 2 115,-0.5 2,-0.4 -2,-0.4 115,-0.3 -0.898 15.2-176.6-102.9 134.5 14.2 6.5 21.7 108 109 A L E -G 186 0E 0 78,-2.2 78,-1.4 -2,-0.5 2,-0.5 -0.992 10.3-156.2-125.8 121.0 17.6 5.5 23.1 109 110 A D E -G 185 0E 68 -2,-0.4 2,-0.4 76,-0.2 76,-0.2 -0.859 18.8-127.1 -98.7 134.4 18.6 6.5 26.6 110 111 A V > - 0 0 1 74,-2.9 3,-0.8 -2,-0.5 2,-0.2 -0.663 26.0-125.6 -76.9 127.1 22.4 6.7 27.3 111 112 A G T 3 S- 0 0 19 103,-1.9 103,-0.4 -2,-0.4 -1,-0.0 -0.541 85.0 -7.2 -77.9 138.6 23.2 4.7 30.4 112 113 A D T 3> S- 0 0 114 -2,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.884 83.9-176.8 41.8 53.3 25.1 6.5 33.2 113 114 A A T X4 S+ 0 0 7 -3,-0.8 3,-1.7 1,-0.2 35,-0.1 0.897 71.7 38.8 -48.1 -63.2 25.4 9.5 30.9 114 115 A Y G >4 S+ 0 0 56 1,-0.3 3,-1.9 2,-0.2 34,-1.0 0.913 114.7 54.6 -59.5 -43.6 27.5 11.9 33.0 115 116 A F G 34 S+ 0 0 28 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.554 100.3 63.5 -68.2 -6.0 29.7 9.1 34.4 116 117 A S G << S+ 0 0 2 -3,-1.7 -113,-2.9 -4,-0.7 -1,-0.3 0.306 91.7 76.6-100.0 9.2 30.5 8.0 30.8 117 118 A V S < S- 0 0 2 -3,-1.9 31,-2.2 -115,-0.2 42,-0.1 -0.978 80.6-122.7-126.8 128.9 32.2 11.3 29.9 118 119 A P B -I 147 0F 11 0, 0.0 2,-0.4 0, 0.0 -110,-0.4 -0.294 20.1-133.7 -71.0 148.3 35.7 12.3 31.0 119 120 A L - 0 0 0 27,-2.4 5,-0.2 -112,-0.1 -112,-0.1 -0.814 40.4 -80.3-102.8 141.6 36.5 15.4 33.0 120 121 A D >> - 0 0 14 -112,-0.5 3,-2.3 -2,-0.4 4,-1.2 -0.127 39.1-137.5 -39.6 115.7 39.3 17.8 32.2 121 122 A E H >> S+ 0 0 105 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.878 103.1 51.6 -41.9 -51.7 42.5 16.2 33.7 122 123 A D H 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.554 112.2 47.7 -71.1 -8.4 43.8 19.5 35.0 123 124 A F H X4 S+ 0 0 1 -3,-2.3 3,-1.5 2,-0.1 4,-0.3 0.584 85.1 87.8-105.9 -17.6 40.4 20.1 36.8 124 125 A R H X< S+ 0 0 40 -4,-1.2 3,-2.8 -3,-0.8 21,-0.5 0.890 78.5 65.2 -51.0 -46.2 39.9 16.7 38.4 125 126 A K G >< S+ 0 0 77 -4,-0.5 3,-1.3 1,-0.3 -1,-0.3 0.786 93.9 61.1 -48.0 -34.0 41.9 17.7 41.6 126 127 A Y G < S+ 0 0 45 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.604 95.7 61.5 -74.5 -11.2 39.2 20.3 42.4 127 128 A T G < S+ 0 0 0 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.216 74.3 142.2 -97.9 12.5 36.5 17.7 42.7 128 129 A A < + 0 0 0 -3,-1.3 -70,-0.6 16,-0.2 2,-0.3 -0.249 24.4 177.4 -54.1 136.9 38.2 15.8 45.6 129 130 A F E -dE 58 143C 0 14,-2.9 14,-1.8 -72,-0.2 2,-0.4 -0.864 17.8-135.8-134.1 176.1 35.9 14.4 48.3 130 131 A T E - E 0 142C 19 -72,-0.6 -70,-0.4 -2,-0.3 12,-0.2 -0.981 6.8-147.2-142.2 122.4 36.4 12.4 51.4 131 132 A I E - E 0 141C 2 10,-2.7 10,-1.8 -2,-0.4 2,-0.1 -0.814 38.9-130.0 -82.5 115.4 34.6 9.4 52.9 132 133 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 8,-0.1 -0.365 13.2-117.9 -73.1 146.3 35.0 10.1 56.6 133 134 A S > - 0 0 16 5,-0.6 3,-1.9 1,-0.1 -107,-0.3 -0.217 53.3 -69.3 -67.5 169.6 36.2 7.4 59.0 134 135 A I G > S- 0 0 87 1,-0.3 3,-1.4 2,-0.1 4,-0.2 -0.485 120.3 -9.7 -68.4 126.1 33.9 6.3 61.8 135 136 A N G 3 S- 0 0 128 -109,-0.5 -1,-0.3 -2,-0.3 -2,-0.1 0.701 116.5 -86.1 52.3 20.8 33.5 9.1 64.3 136 137 A N G < S+ 0 0 63 -3,-1.9 -1,-0.2 -110,-0.2 -2,-0.1 0.818 90.3 136.7 53.9 37.6 36.3 10.8 62.4 137 138 A E < + 0 0 162 -3,-1.4 -2,-0.1 2,-0.1 -1,-0.1 0.941 65.4 33.3 -75.8 -49.3 39.1 9.1 64.3 138 139 A T S S- 0 0 92 -4,-0.2 -5,-0.6 1,-0.1 -2,-0.0 -0.577 103.0 -77.6-103.1 166.0 41.3 8.2 61.4 139 140 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.311 54.8-116.9 -56.6 145.9 42.0 10.0 58.1 140 141 A G - 0 0 25 -7,-0.1 2,-0.5 1,-0.1 -6,-0.0 -0.334 28.3 -94.2 -82.3 165.7 39.2 9.5 55.5 141 142 A I E - E 0 131C 68 -10,-1.8 -10,-2.7 -2,-0.1 2,-0.5 -0.715 45.3-146.9 -78.3 127.9 39.4 7.7 52.2 142 143 A R E + E 0 130C 39 -2,-0.5 -92,-2.1 -92,-0.3 2,-0.3 -0.857 23.7 165.6-107.0 129.9 40.1 10.4 49.5 143 144 A Y E -CE 49 129C 6 -14,-1.8 -14,-2.9 -2,-0.5 2,-0.3 -0.929 16.7-160.8-127.8 157.5 38.8 10.3 45.9 144 145 A Q E -C 48 0C 32 -96,-2.3 -96,-2.5 -2,-0.3 2,-0.2 -0.935 31.9-101.9-126.8 162.4 38.6 12.7 43.0 145 146 A Y E -C 47 0C 4 -21,-0.5 -98,-0.2 -2,-0.3 -18,-0.2 -0.545 24.4-177.5 -82.4 142.9 36.4 12.4 39.9 146 147 A N S S+ 0 0 16 -100,-2.7 -27,-2.4 -2,-0.2 2,-0.2 0.423 76.1 47.3-107.3 -8.0 37.7 11.4 36.5 147 148 A V B S-I 118 0F 0 -101,-1.0 -32,-0.2 -29,-0.3 -33,-0.1 -0.765 107.0 -67.6-127.9 171.3 34.2 11.9 34.9 148 149 A L - 0 0 0 -31,-2.2 -31,-0.1 -34,-1.0 2,-0.1 -0.437 56.9-136.4 -60.9 117.9 31.4 14.5 34.9 149 150 A P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 2,-0.4 -0.485 17.2-106.7 -78.8 152.5 30.0 14.6 38.4 150 151 A Q T 3 S+ 0 0 90 1,-0.2 -76,-0.3 -2,-0.1 -74,-0.1 -0.620 104.8 18.2 -73.9 125.1 26.3 14.7 39.1 151 152 A G T 3 S+ 0 0 54 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.473 91.1 130.9 90.9 3.5 25.2 18.1 40.4 152 153 A W X - 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0 0 69 -3,-2.8 2,-0.4 113,-0.0 113,-0.0 -0.853 53.0-171.7 -86.7 118.4 21.8 69.3 4.0 775 240 B T - 0 0 110 -2,-0.7 -2,-0.0 1,-0.1 -3,-0.0 -0.920 29.9 -98.1-117.4 139.0 19.5 72.0 5.1 776 241 B V - 0 0 54 -2,-0.4 111,-0.2 1,-0.1 -1,-0.1 -0.153 32.6-130.5 -41.7 141.4 17.7 72.5 8.4 777 242 B Q - 0 0 45 109,-1.1 -1,-0.1 3,-0.0 110,-0.1 -0.807 33.0-145.0 -99.8 90.7 14.1 71.3 8.2 778 243 B P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 68,-0.1 -0.032 17.2-106.6 -55.1 153.0 12.3 74.3 9.6 779 244 B I - 0 0 9 66,-0.5 2,-0.4 63,-0.1 179,-0.1 -0.723 47.3-132.2 -69.2 128.9 9.2 74.2 11.7 780 245 B V - 0 0 34 179,-0.6 179,-0.1 -2,-0.5 62,-0.0 -0.754 15.3-154.8-100.8 133.1 6.6 75.4 9.3 781 246 B L - 0 0 12 -2,-0.4 14,-0.0 57,-0.0 180,-0.0 -0.874 31.8-107.3-102.0 133.8 3.9 78.1 10.0 782 247 B P - 0 0 47 0, 0.0 2,-0.8 0, 0.0 179,-0.0 -0.319 20.3-144.5 -64.0 139.7 0.7 77.9 7.9 783 248 B E - 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.887 32.0-165.4-102.8 101.8 0.3 80.6 5.3 784 249 B K - 0 0 63 -2,-0.8 3,-0.1 1,-0.2 0, 0.0 -0.713 38.0-153.3-107.6 141.9 -3.4 81.3 5.4 785 250 B D S S- 0 0 147 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.988 94.1 -10.9 -52.9 -69.1 -6.0 83.0 3.2 786 251 B S S S- 0 0 57 43,-0.1 2,-0.4 41,-0.0 -1,-0.3 -0.923 76.8-126.5-133.0 162.9 -8.1 83.7 6.3 787 252 B W - 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