==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-NOV-09 3KK2 . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE P66 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR E.B.LANSDON . 969 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 0 4 2 2 0 1 1 1 0 4 0 2 2 0 2 2 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 . 9 2 5 0 5 3 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 . 5 1 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 76 0, 0.0 2,-0.5 0, 0.0 214,-0.2 0.000 360.0 360.0 360.0-179.9 40.5 95.5 36.1 2 2 A I - 0 0 55 212,-0.1 116,-0.2 42,-0.1 211,-0.1 -0.966 360.0-106.1-110.6 128.8 43.9 93.9 36.5 3 3 A S - 0 0 4 114,-4.0 210,-0.2 -2,-0.5 209,-0.1 -0.232 17.0-141.8 -52.7 130.3 44.4 91.1 39.0 4 4 A P + 0 0 81 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.355 64.2 123.8 -76.1 5.5 46.3 92.2 42.1 5 5 A I S S- 0 0 24 207,-0.3 2,-0.1 1,-0.1 158,-0.0 -0.284 71.5-100.7 -62.5 153.3 48.0 88.8 42.1 6 6 A E - 0 0 167 1,-0.1 -1,-0.1 157,-0.0 115,-0.1 -0.487 41.2-106.4 -78.2 151.2 51.8 88.8 41.9 7 7 A T - 0 0 57 -2,-0.1 113,-0.1 113,-0.1 -1,-0.1 -0.282 23.1-116.1 -75.9 158.7 53.5 88.1 38.6 8 8 A V - 0 0 22 111,-0.4 113,-0.4 -2,-0.0 2,-0.3 -0.858 32.8-122.9 -96.5 115.6 55.3 84.9 37.5 9 9 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 111,-0.0 -0.356 36.7-178.6 -64.4 118.8 59.0 85.6 36.9 10 10 A V - 0 0 10 -2,-0.3 2,-0.3 74,-0.0 113,-0.0 -0.840 9.8-162.4-116.2 153.6 60.0 84.6 33.3 11 11 A K - 0 0 140 -2,-0.3 74,-2.3 75,-0.1 2,-0.2 -0.925 22.5-117.6-125.5 155.5 63.3 84.6 31.5 12 12 A L B -A 84 0A 23 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.537 53.3 -86.2 -72.5 157.8 64.5 84.5 27.9 13 13 A K > - 0 0 60 70,-3.3 3,-2.0 -2,-0.2 -1,-0.1 -0.466 65.4 -77.0 -67.3 143.1 66.6 81.4 27.0 14 14 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.058 114.7 7.2 -52.0 128.6 70.3 82.1 27.8 15 15 A G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.444 103.9 119.6 84.8 0.2 72.2 84.2 25.3 16 16 A M < - 0 0 78 -3,-2.0 2,-0.3 67,-0.1 -1,-0.3 -0.697 48.0-152.2-102.9 150.4 69.0 85.0 23.4 17 17 A D - 0 0 64 -2,-0.3 -4,-0.1 -3,-0.1 66,-0.0 -0.896 28.6 -90.5-121.8 154.9 67.4 88.4 22.7 18 18 A G - 0 0 3 -2,-0.3 -1,-0.1 1,-0.1 110,-0.1 -0.067 58.2 -76.8 -60.4 162.6 63.8 89.5 22.2 19 19 A P - 0 0 0 0, 0.0 38,-1.9 0, 0.0 2,-0.4 -0.137 27.8-166.7 -70.8 147.8 62.3 89.6 18.6 20 20 A K B +b 57 0B 124 36,-0.3 2,-0.4 2,-0.0 38,-0.2 -0.824 33.9 149.7-125.1 94.8 62.8 92.2 15.9 21 21 A V - 0 0 52 36,-2.1 3,-0.1 -2,-0.4 2,-0.1 -0.987 43.4-119.3-135.6 131.2 60.0 91.5 13.4 22 22 A K - 0 0 184 -2,-0.4 2,-0.2 1,-0.1 35,-0.0 -0.335 31.5-111.0 -69.0 140.3 58.1 93.8 11.0 23 23 A Q - 0 0 27 35,-0.1 -1,-0.1 36,-0.1 3,-0.1 -0.517 32.8-135.8 -64.0 132.8 54.4 94.1 11.3 24 24 A W - 0 0 88 -2,-0.2 36,-0.2 1,-0.1 2,-0.1 -0.523 37.9 -77.2 -85.4 162.1 52.7 92.5 8.3 25 25 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.388 48.3-154.5 -66.0 130.7 49.9 94.3 6.5 26 26 A L - 0 0 25 -2,-0.1 5,-0.1 1,-0.1 35,-0.1 -0.800 22.1-104.1-101.7 145.9 46.5 94.2 8.3 27 27 A T > - 0 0 73 -2,-0.3 4,-1.1 1,-0.1 -1,-0.1 -0.079 31.4-119.6 -43.8 160.2 43.0 94.6 6.8 28 28 A E H >> S+ 0 0 110 2,-0.2 4,-2.4 1,-0.1 3,-0.6 0.937 115.2 55.2 -71.0 -49.7 41.4 97.9 7.5 29 29 A E H 3> S+ 0 0 113 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.903 109.8 47.6 -47.4 -47.0 38.5 96.2 9.3 30 30 A K H 3> S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.803 107.6 54.2 -71.1 -31.1 41.1 94.6 11.6 31 31 A I H <>S+ 0 0 8 -4,-2.2 5,-2.4 1,-0.2 3,-0.7 0.923 112.0 50.3 -60.3 -44.2 43.3 98.5 27.0 42 42 A E H ><5S+ 0 0 54 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.885 104.9 56.8 -64.5 -38.2 45.8 101.3 27.2 43 43 A K H 3<5S+ 0 0 153 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.788 109.3 47.2 -59.3 -29.2 43.4 103.4 29.2 44 44 A E T <<5S- 0 0 86 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.422 117.3-114.1 -97.8 -0.1 43.3 100.6 31.8 45 45 A G T < 5S+ 0 0 35 -3,-1.2 -3,-0.2 -4,-0.4 3,-0.1 0.715 82.4 122.8 79.5 20.8 47.0 100.2 31.8 46 46 A K S - 0 0 18 -2,-0.3 3,-2.0 93,-0.0 -1,-0.0 -0.391 51.6 -52.4-121.8-156.4 59.4 104.6 22.4 52 52 A P T 3 S+ 0 0 134 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.399 118.5 79.6 -69.1 4.0 62.8 104.1 20.7 53 53 A E T 3 S+ 0 0 135 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.846 82.9 72.5 -67.6 -36.8 64.1 102.5 23.9 54 54 A N < + 0 0 12 -3,-2.0 -1,-0.1 1,-0.2 -4,-0.1 -0.694 57.1 174.8 -87.9 102.9 62.2 99.4 22.7 55 55 A P + 0 0 64 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.592 54.0 93.3 -75.1 -12.6 64.1 97.9 19.7 56 56 A Y + 0 0 22 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.340 44.7 167.0 -91.2 161.0 61.8 94.9 19.6 57 57 A N B -b 20 0B 18 -38,-1.9 -36,-2.1 70,-0.1 73,-0.2 -0.912 11.5-172.7-168.4 147.9 58.6 94.1 17.7 58 58 A T - 0 0 0 71,-1.0 73,-0.4 -2,-0.3 19,-0.1 -0.990 36.4-100.5-144.1 142.1 56.4 91.1 16.9 59 59 A P - 0 0 6 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.290 35.8-162.2 -70.7 149.1 53.5 91.0 14.5 60 60 A V E +D 75 0D 0 71,-0.2 2,-0.2 15,-0.2 15,-0.2 -0.972 14.5 160.5-134.0 147.2 49.9 91.2 15.7 61 61 A F E -D 74 0D 55 13,-0.7 13,-3.2 -2,-0.3 2,-0.3 -0.851 22.5-128.2-148.0-176.6 46.5 90.4 14.2 62 62 A A E -D 73 0D 0 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.983 13.0-175.6-142.7 155.3 42.9 89.6 15.1 63 63 A I E -D 72 0D 76 9,-1.6 9,-4.2 -2,-0.3 2,-0.1 -0.957 37.2 -94.5-141.6 159.5 40.1 87.1 14.5 64 64 A K E -D 71 0D 82 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.430 38.9-127.4 -76.7 153.5 36.5 86.9 15.5 65 65 A K > - 0 0 46 5,-2.2 3,-1.7 -2,-0.1 -1,-0.1 -0.157 38.8 -81.5 -87.1-173.7 35.5 85.1 18.6 66 66 A K T 3 S+ 0 0 199 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.849 133.3 53.4 -59.1 -38.5 32.8 82.4 19.0 67 67 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 3,-0.0 2,-0.3 0.462 100.4-145.1 -76.3 -2.6 30.0 85.0 19.2 68 68 A S S < S+ 0 0 73 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.352 82.9 83.9 59.9 -10.0 31.5 86.2 15.9 69 69 A T S S+ 0 0 106 -2,-0.3 -1,-0.2 -5,-0.1 2,-0.1 0.914 81.9 61.7 -81.2 -50.0 30.7 89.8 16.9 70 70 A K S S- 0 0 109 1,-0.1 -5,-2.2 -6,-0.0 2,-0.4 -0.310 78.2-128.6 -82.6 158.5 33.8 90.4 19.1 71 71 A W E -D 64 0D 46 -7,-0.2 2,-0.6 -38,-0.1 -7,-0.2 -0.859 8.2-143.3-108.9 141.0 37.4 90.4 17.9 72 72 A R E -D 63 0D 85 -9,-4.2 -9,-1.6 -2,-0.4 2,-0.7 -0.905 12.6-143.1-103.1 122.7 40.3 88.6 19.5 73 73 A K E +D 62 0D 2 -2,-0.6 78,-0.5 -11,-0.2 -11,-0.2 -0.736 28.9 177.8 -81.5 112.3 43.7 90.4 19.5 74 74 A L E -D 61 0D 22 -13,-3.2 -13,-0.7 -2,-0.7 2,-0.3 -0.487 19.2-148.7-103.6 178.3 46.4 87.8 18.9 75 75 A V E -D 60 0D 4 76,-1.2 2,-1.8 -15,-0.2 -15,-0.2 -0.934 16.6-134.5-148.0 129.5 50.1 88.1 18.5 76 76 A D > + 0 0 21 -17,-2.1 3,-0.6 -2,-0.3 4,-0.2 -0.549 37.9 162.5 -80.8 77.3 52.4 85.9 16.4 77 77 A F T 3> + 0 0 2 -2,-1.8 4,-3.9 75,-0.4 5,-0.4 0.096 28.1 125.3 -86.0 25.4 55.0 85.4 19.0 78 78 A R H 3> S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 77.0 47.1 -54.2 -36.7 56.5 82.3 17.2 79 79 A E H <> S+ 0 0 58 -3,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.951 116.6 41.8 -70.5 -47.0 59.8 84.0 17.2 80 80 A L H >> S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 4,-0.6 0.907 110.6 55.7 -66.6 -45.8 59.7 85.0 20.9 81 81 A N H >< S+ 0 0 32 -4,-3.9 3,-1.6 1,-0.3 -1,-0.2 0.921 102.9 58.4 -50.0 -44.2 58.2 81.7 22.0 82 82 A K H 3< S+ 0 0 130 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.770 113.3 39.0 -57.5 -26.0 61.2 80.1 20.4 83 83 A R H << S+ 0 0 69 -3,-1.5 -70,-3.3 -4,-0.6 2,-0.3 0.315 94.2 103.3-111.5 5.5 63.4 82.1 22.6 84 84 A T B << S-A 12 0A 0 -3,-1.6 -72,-0.2 -4,-0.6 -3,-0.0 -0.677 78.6 -99.3 -90.4 145.2 61.4 81.9 25.9 85 85 A Q - 0 0 16 -74,-2.3 -1,-0.1 -2,-0.3 2,-0.1 -0.047 48.0 -93.6 -48.9 159.8 62.4 79.7 28.8 86 86 A D - 0 0 60 520,-0.1 2,-0.4 69,-0.0 -1,-0.1 -0.433 36.0-155.0 -76.1 153.5 60.6 76.4 29.2 87 87 A F - 0 0 19 521,-0.1 2,-0.8 -2,-0.1 519,-0.2 -0.949 20.0-126.4-120.0 149.9 57.6 75.9 31.3 88 88 A W - 0 0 30 517,-1.7 519,-0.1 519,-0.8 521,-0.1 -0.885 37.3-134.3 -83.3 115.7 56.2 72.8 33.0 89 89 A E - 0 0 90 -2,-0.8 66,-0.0 1,-0.1 69,-0.0 -0.400 18.2-165.4 -68.9 152.3 52.6 72.8 31.7 90 90 A V + 0 0 1 -2,-0.1 604,-3.3 603,-0.0 2,-1.1 0.382 59.7 98.9-126.0 -4.2 50.0 72.2 34.4 91 91 A Q - 0 0 35 602,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.798 53.0-174.7 -82.2 103.8 46.8 71.5 32.4 92 92 A L - 0 0 66 -2,-1.1 2,-0.3 600,-0.3 -1,-0.2 0.517 52.8 -52.4 -82.8 -4.2 47.1 67.7 32.7 93 93 A G S S- 0 0 21 597,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.989 70.5 -51.9 154.8-166.6 44.2 66.9 30.5 94 94 A I - 0 0 91 -2,-0.3 597,-0.1 -3,-0.1 596,-0.1 -0.888 41.1-127.2-121.9 117.2 40.6 67.5 29.7 95 95 A P - 0 0 3 0, 0.0 595,-0.1 0, 0.0 594,-0.1 -0.210 27.7-145.9 -57.3 142.6 37.6 67.3 32.1 96 96 A H >> - 0 0 19 593,-0.2 3,-2.8 286,-0.1 4,-0.6 -0.927 17.2-132.8-119.2 140.2 34.8 65.0 30.8 97 97 A P G >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 222,-0.3 0.825 107.4 63.6 -54.3 -32.4 31.0 65.3 31.3 98 98 A A G 34 S+ 0 0 0 1,-0.3 221,-0.1 220,-0.1 252,-0.1 0.616 96.9 60.1 -68.8 -10.3 30.9 61.7 32.2 99 99 A G G <4 S+ 0 0 5 -3,-2.8 -1,-0.3 590,-0.1 2,-0.1 0.690 83.6 95.9 -90.0 -20.5 33.0 62.6 35.2 100 100 A L << - 0 0 2 -3,-1.1 219,-2.9 -4,-0.6 2,-0.3 -0.456 65.3-148.5 -64.9 137.2 30.5 65.0 36.6 101 101 A K B -e 319 0E 75 217,-0.2 219,-0.1 -2,-0.1 -2,-0.1 -0.744 38.5 -78.3-100.3 161.8 28.2 63.6 39.3 102 102 A K - 0 0 96 217,-0.5 2,-0.3 -2,-0.3 -1,-0.1 -0.301 50.6-169.2 -63.1 135.2 24.7 64.9 39.7 103 103 A K - 0 0 62 133,-0.2 89,-0.2 1,-0.1 3,-0.1 -0.930 27.0-131.5-124.3 152.7 24.5 68.2 41.5 104 104 A K S S+ 0 0 110 87,-1.7 2,-0.3 -2,-0.3 88,-0.2 0.827 93.3 19.6 -74.2 -32.6 21.4 70.0 42.9 105 105 A S E S-F 191 0F 12 86,-1.7 86,-1.9 89,-0.1 2,-0.4 -0.994 71.0-165.8-139.2 145.7 22.2 73.3 41.3 106 106 A V E -F 190 0F 29 -2,-0.3 2,-0.3 84,-0.2 118,-0.3 -0.992 7.2-180.0-139.2 139.4 24.6 74.3 38.5 107 107 A T E -F 189 0F 0 82,-2.4 82,-3.0 -2,-0.4 2,-0.4 -0.974 11.6-157.6-132.5 145.7 26.2 77.4 37.1 108 108 A V E -FG 188 221F 3 113,-1.0 113,-1.7 -2,-0.3 2,-0.3 -0.996 17.8-179.0-124.3 127.7 28.6 78.1 34.3 109 109 A L E -F 187 0F 0 78,-2.4 78,-2.5 -2,-0.4 2,-0.3 -0.907 12.2-165.0-121.9 148.5 30.7 81.3 34.3 110 110 A D - 0 0 28 109,-0.5 2,-0.3 107,-0.4 76,-0.2 -0.964 22.6-123.9-129.9 149.2 33.2 82.7 31.9 111 111 A V > - 0 0 3 74,-0.4 3,-0.9 -2,-0.3 2,-0.3 -0.702 25.9-106.4 -97.4 144.2 35.7 85.5 32.7 112 112 A G T 3 S- 0 0 13 103,-2.7 103,-0.3 -2,-0.3 5,-0.1 -0.483 90.5 -27.0 -69.6 128.5 36.1 88.8 30.9 113 113 A D T > S- 0 0 86 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 0.759 82.9-169.1 43.2 35.2 39.2 89.1 28.7 114 114 A A G X S+ 0 0 9 -3,-0.9 3,-2.9 1,-0.3 4,-0.3 0.674 74.6 45.2 -27.6 -67.8 40.8 86.6 31.1 115 115 A Y G > S+ 0 0 35 1,-0.3 3,-2.0 2,-0.2 34,-1.0 0.874 109.0 59.4 -47.6 -41.0 44.5 86.8 30.0 116 116 A F G < S+ 0 0 6 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.511 98.3 59.1 -74.7 0.1 44.2 90.5 29.9 117 117 A S G < S+ 0 0 2 -3,-2.9 -114,-4.0 -4,-0.4 -1,-0.3 0.402 92.1 80.6-103.7 2.4 43.3 90.6 33.6 118 118 A V S < S- 0 0 3 -3,-2.0 31,-1.9 -4,-0.3 42,-0.1 -0.930 82.2-122.9-113.2 127.3 46.5 88.8 34.7 119 119 A P B -I 148 0G 14 0, 0.0 -111,-0.4 0, 0.0 2,-0.3 -0.340 18.0-136.0 -71.8 148.5 49.7 90.9 35.0 120 120 A L - 0 0 3 27,-2.0 -113,-0.1 -113,-0.1 5,-0.1 -0.776 38.1 -83.4 -97.9 146.4 52.9 90.0 33.1 121 121 A D >> - 0 0 14 -113,-0.4 4,-1.1 -2,-0.3 3,-0.9 -0.207 36.2-135.9 -45.5 126.7 56.4 90.0 34.6 122 122 A E G >4 S+ 0 0 140 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.924 101.3 52.6 -52.3 -50.7 57.7 93.6 34.6 123 123 A D G 34 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.683 111.5 46.4 -65.9 -19.1 61.2 92.6 33.4 124 124 A F G X4 S+ 0 0 2 -3,-0.9 3,-1.9 1,-0.2 4,-0.4 0.624 84.3 92.9 -96.0 -17.0 59.8 90.7 30.4 125 125 A R G X< S+ 0 0 45 -4,-1.1 3,-1.9 -3,-0.9 21,-0.4 0.827 75.7 65.9 -48.6 -36.5 57.3 93.3 29.3 126 126 A K G > S+ 0 0 86 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.778 93.8 57.3 -61.7 -30.9 59.9 94.8 26.9 127 127 A Y G < S+ 0 0 42 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.590 92.5 69.7 -77.3 -10.5 60.0 91.8 24.6 128 128 A T G < S+ 0 0 0 -3,-1.9 18,-0.3 -4,-0.4 -1,-0.3 0.208 70.9 146.8 -92.2 14.9 56.3 91.9 24.0 129 129 A A < + 0 0 0 -3,-1.0 -71,-1.0 16,-0.2 2,-0.2 -0.267 17.4 162.0 -54.7 128.0 56.7 95.1 21.9 130 130 A F - 0 0 0 14,-2.3 14,-0.5 -73,-0.2 2,-0.3 -0.760 27.1-137.6-134.9-172.7 54.3 95.4 19.1 131 131 A T - 0 0 24 -73,-0.4 -71,-0.2 -2,-0.2 12,-0.2 -0.892 4.3-146.8-157.4 118.1 53.0 98.1 16.9 132 132 A I B -J 142 0H 4 10,-2.5 10,-0.8 -2,-0.3 9,-0.2 -0.779 22.1-147.8 -87.7 109.0 49.5 98.9 15.6 133 133 A P - 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0 0 3 -3,-0.8 2,-0.4 -6,-0.1 -1,-0.2 -0.530 18.8-168.2 -67.9 139.4 32.4 54.4 15.1 275 275 A K + 0 0 24 -2,-0.2 31,-0.2 27,-0.2 4,-0.1 -0.995 25.4 169.0-136.2 139.4 35.3 53.1 12.9 276 276 A V > + 0 0 4 -2,-0.4 4,-3.1 3,-0.1 5,-0.2 0.185 47.4 107.1-134.9 18.0 38.1 54.8 11.1 277 277 A R H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.975 85.9 40.3 -62.6 -57.2 40.5 52.1 10.0 278 278 A Q H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 21,-0.3 0.881 120.0 46.5 -64.6 -39.6 39.7 52.1 6.3 279 279 A L H >> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.963 111.8 50.5 -62.3 -53.8 39.6 55.9 6.3 280 280 A S H >< S+ 0 0 43 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.836 102.1 63.7 -54.6 -35.3 42.8 56.2 8.3 281 281 A K H >< S+ 0 0 96 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.936 92.0 62.0 -56.1 -48.7 44.5 53.8 5.8 282 282 A L H << S+ 0 0 16 -4,-1.3 4,-0.4 -3,-0.5 -1,-0.3 0.805 91.9 69.6 -42.3 -33.0 44.0 56.3 3.0 283 283 A L T << S+ 0 0 50 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.426 79.2 108.0 -69.1 4.4 46.2 58.6 5.0 284 284 A R S < S- 0 0 192 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.943 84.0 -1.8 -66.6 -87.9 49.2 56.4 4.4 285 285 A G S S+ 0 0 67 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.809 89.1 128.3 -77.9 -27.6 52.0 57.4 2.1 286 286 A T - 0 0 34 -4,-0.4 3,-0.1 1,-0.1 7,-0.0 0.178 44.1-158.8 -35.1 141.7 50.7 60.7 0.9 287 287 A K + 0 0 196 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.466 63.3 55.1-109.4 -5.1 53.1 63.6 1.3 288 288 A A > - 0 0 40 1,-0.1 3,-1.4 3,-0.0 -34,-0.3 -0.986 68.6-133.8-142.5 133.8 50.9 66.7 1.4 289 289 A L T 3 S+ 0 0 102 -2,-0.4 -34,-2.1 1,-0.3 -33,-0.3 0.803 115.0 47.4 -43.7 -32.2 48.0 68.0 3.4 290 290 A T T 3 S+ 0 0 110 -36,-0.2 -1,-0.3 -35,-0.1 -34,-0.1 0.751 76.5 123.9 -87.7 -27.2 46.5 68.9 -0.0 291 291 A E < - 0 0 77 -3,-1.4 -37,-2.0 -38,-0.2 2,-0.1 -0.102 60.4-138.2 -42.0 101.4 47.2 65.6 -1.8 292 292 A V B -N 253 0J 83 -39,-0.3 -39,-0.3 -38,-0.1 -40,-0.1 -0.414 21.9-162.2 -68.7 141.1 43.7 64.6 -2.9 293 293 A I - 0 0 20 -41,-2.0 2,-0.2 -2,-0.1 -41,-0.1 -0.988 16.0-128.9-135.0 130.5 42.9 61.0 -2.4 294 294 A P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 -43,-0.0 -0.539 35.5-110.9 -71.6 137.2 40.2 58.6 -3.9 295 295 A L - 0 0 53 -2,-0.2 2,-0.2 4,-0.1 -16,-0.1 -0.410 24.3-125.6 -68.7 141.4 38.2 56.6 -1.4 296 296 A T > - 0 0 52 -18,-0.2 4,-3.5 -2,-0.1 5,-0.2 -0.553 29.8-109.4 -79.3 155.0 38.7 52.8 -1.2 297 297 A E H > S+ 0 0 143 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.792 121.1 43.6 -57.1 -28.2 35.5 50.8 -1.6 298 298 A E H > S+ 0 0 101 2,-0.2 4,-3.7 3,-0.2 -1,-0.2 0.824 112.5 48.2 -91.2 -36.8 35.8 49.9 2.1 299 299 A A H > S+ 0 0 0 -21,-0.3 4,-2.7 2,-0.2 5,-0.2 0.896 112.1 54.1 -62.3 -39.5 36.7 53.3 3.4 300 300 A E H X S+ 0 0 96 -4,-3.5 4,-1.6 2,-0.2 -2,-0.2 0.919 113.7 40.7 -56.2 -45.3 33.8 54.4 1.2 301 301 A L H X S+ 0 0 89 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.924 111.7 55.1 -70.8 -48.5 31.6 51.8 3.1 302 302 A E H X S+ 0 0 2 -4,-3.7 4,-2.5 1,-0.2 5,-0.2 0.929 108.3 49.5 -50.5 -50.4 33.1 52.6 6.5 303 303 A L H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.910 109.0 51.5 -59.2 -44.8 32.2 56.2 6.1 304 304 A A H X S+ 0 0 47 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.906 109.1 52.7 -56.3 -40.9 28.7 55.4 5.0 305 305 A E H X S+ 0 0 92 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.924 110.7 45.3 -64.5 -45.9 28.4 53.3 8.2 306 306 A N H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.898 108.4 59.2 -62.7 -40.3 29.6 56.0 10.4 307 307 A R H X S+ 0 0 60 -4,-2.8 4,-1.0 1,-0.2 3,-0.2 0.917 107.1 45.3 -55.5 -45.0 27.2 58.5 8.7 308 308 A E H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 109.9 54.6 -69.9 -31.0 24.2 56.4 9.5 309 309 A I H >< S+ 0 0 48 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.771 104.5 53.7 -78.1 -23.5 25.2 55.9 13.1 310 310 A L H 3< S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 92.5 73.5 -76.7 -26.0 25.5 59.6 13.7 311 311 A K T 3< S+ 0 0 144 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.635 83.9 94.7 -58.5 -13.9 22.0 60.1 12.4 312 312 A E S < S- 0 0 110 -3,-0.7 2,-0.6 -4,-0.2 -3,-0.0 -0.621 81.9-117.8 -91.9 142.7 20.9 58.6 15.7 313 313 A P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.643 44.3 166.9 -76.8 113.3 19.9 60.5 18.9 314 314 A V + 0 0 31 -2,-0.6 -73,-0.3 -4,-0.1 2,-0.3 -0.958 12.8 177.1-131.7 146.0 22.3 59.7 21.8 315 315 A H - 0 0 83 -2,-0.3 2,-0.3 -75,-0.1 -75,-0.2 -0.821 17.9-134.1-131.7 178.8 23.1 61.1 25.2 316 316 A G B -M 239 0I 0 -77,-3.2 -77,-1.7 -2,-0.3 2,-0.3 -0.762 17.3-130.0-122.0 174.9 25.3 60.3 28.2 317 317 A V - 0 0 19 31,-1.1 2,-0.2 -2,-0.3 -79,-0.2 -0.834 21.4-104.2-123.2 166.7 24.6 60.2 31.9 318 318 A Y - 0 0 13 -81,-0.5 2,-0.3 -2,-0.3 -217,-0.2 -0.528 45.2 -94.4 -88.9 160.5 26.3 61.6 35.0 319 319 A Y B -e 101 0E 11 -219,-2.9 -217,-0.5 -222,-0.3 -1,-0.1 -0.528 25.6-159.9 -88.5 134.8 28.4 59.5 37.4 320 320 A D - 0 0 62 -2,-0.3 3,-0.1 -219,-0.1 -219,-0.0 -0.893 3.6-161.9-113.5 101.7 27.1 57.9 40.5 321 321 A P S S+ 0 0 62 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.737 85.6 68.8 -56.2 -26.0 30.0 57.0 42.9 322 322 A S S S+ 0 0 95 -3,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.464 97.8 58.0 -92.7 61.8 27.7 54.5 44.8 323 323 A K S S- 0 0 88 -2,-1.2 21,-0.1 -3,-0.1 2,-0.1 -0.897 90.7 -86.7 177.8 148.9 27.6 52.1 41.8 324 324 A D - 0 0 73 -2,-0.3 2,-0.6 19,-0.2 -4,-0.1 -0.351 28.5-127.1 -71.1 148.2 30.1 50.1 39.7 325 325 A L - 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0 0 134 -2,-0.4 -552,-0.1 -26,-0.1 -2,-0.0 -0.838 39.7-142.1 -92.0 98.4 59.9 40.4 24.8 960 419 B T - 0 0 6 -2,-1.0 -554,-0.1 1,-0.1 5,-0.0 -0.320 17.4-103.9 -68.1 136.8 62.0 37.4 25.8 961 420 B P >> - 0 0 54 0, 0.0 4,-0.8 0, 0.0 3,-0.7 -0.379 26.3-126.7 -57.1 129.7 62.8 34.6 23.3 962 421 B P H 3> S+ 0 0 15 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.595 107.8 63.2 -55.4 -8.4 60.6 31.6 24.0 963 422 B L H >> S+ 0 0 15 2,-0.2 3,-1.1 1,-0.1 4,-0.7 0.933 89.5 59.3 -82.9 -52.8 63.9 29.7 24.1 964 423 B V H <> S+ 0 0 23 -3,-0.7 4,-1.0 1,-0.3 3,-0.3 0.732 103.3 55.5 -54.2 -27.0 65.7 31.4 27.0 965 424 B K H 3X S+ 0 0 39 -4,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.905 99.4 59.8 -70.3 -39.5 62.9 30.3 29.3 966 425 B L H << S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.656 102.0 56.2 -65.1 -16.0 63.3 26.6 28.3 967 426 B W H < S+ 0 0 12 -4,-0.7 -181,-0.4 -3,-0.3 -1,-0.2 0.917 111.9 36.0 -83.2 -47.5 66.9 26.7 29.5 968 427 B Y H < S+ 0 0 23 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.1 0.625 89.6 127.5 -83.2 -12.3 66.4 27.8 33.1 969 428 B Q < - 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