==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUL-01 1JLQ . COMPND 2 MOLECULE: HIV-1 RT, A-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR J.REN,D.I.STUART,D.K.STAMMERS . 939 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 63.4 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 . 132 14.1 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 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 . 53 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 25.8 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 3 2 4 1 1 0 1 0 2 3 2 0 3 0 1 1 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 . 7 3 6 1 3 2 3 2 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 . 4 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 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 0 111 0, 0.0 209,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 119.7 3.6 -50.7 47.9 2 2 A I - 0 0 73 42,-0.2 111,-0.1 1,-0.1 110,-0.1 0.125 360.0-126.4 -72.6-167.5 7.4 -50.8 47.2 3 3 A S - 0 0 24 109,-0.4 205,-0.2 2,-0.1 -1,-0.1 -0.897 11.9-127.3-143.5 171.2 9.0 -52.2 44.0 4 4 A P + 0 0 92 0, 0.0 2,-0.4 0, 0.0 204,-0.1 -0.394 60.1 127.4-116.8 52.5 11.7 -54.6 42.5 5 5 A I - 0 0 13 202,-0.1 -2,-0.1 -2,-0.1 153,-0.0 -0.920 68.5-100.6-113.6 135.0 13.7 -52.2 40.3 6 6 A E - 0 0 127 -2,-0.4 2,-0.1 1,-0.1 110,-0.1 -0.264 44.8-121.0 -50.8 129.9 17.5 -51.9 40.4 7 7 A T - 0 0 37 108,-0.1 108,-0.1 1,-0.1 -1,-0.1 -0.381 20.6-113.3 -75.8 155.1 18.4 -48.8 42.4 8 8 A V - 0 0 13 106,-0.4 108,-0.4 -2,-0.1 2,-0.3 -0.782 31.8-115.0 -90.8 125.7 20.4 -46.0 40.9 9 9 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.431 41.1-178.4 -62.7 120.2 23.9 -45.5 42.5 10 10 A V + 0 0 8 -2,-0.3 2,-0.3 69,-0.0 109,-0.1 -0.984 6.6 175.5-128.4 130.5 24.0 -42.1 44.2 11 11 A K - 0 0 137 -2,-0.4 69,-1.6 574,-0.1 2,-0.1 -0.911 33.1 -97.5-131.5 159.4 26.8 -40.4 46.1 12 12 A L B -A 79 0A 22 -2,-0.3 67,-0.3 67,-0.2 3,-0.3 -0.382 56.4 -77.5 -74.2 152.2 27.5 -37.0 47.7 13 13 A K S > S- 0 0 62 65,-3.5 3,-1.7 1,-0.2 -1,-0.1 0.076 76.6 -61.2 -41.4 156.7 29.4 -34.3 45.9 14 14 A P T 3 S- 0 0 126 0, 0.0 -1,-0.2 0, 0.0 65,-0.0 -0.243 117.8 -12.9 -50.9 111.9 33.2 -34.7 45.8 15 15 A G T 3 S+ 0 0 88 -3,-0.3 2,-0.2 1,-0.2 -2,-0.1 0.745 101.1 122.0 69.1 29.6 34.5 -34.7 49.3 16 16 A M < - 0 0 91 -3,-1.7 2,-0.3 62,-0.2 -1,-0.2 -0.706 48.4-135.0-114.5 170.9 31.5 -33.5 51.3 17 17 A D - 0 0 64 -2,-0.2 3,-0.1 1,-0.1 61,-0.1 -0.945 31.6 -77.5-130.3 153.8 29.6 -35.2 54.1 18 18 A G - 0 0 2 -2,-0.3 -1,-0.1 1,-0.1 105,-0.1 0.152 62.6 -78.0 -40.7 154.1 26.0 -35.8 55.0 19 19 A P - 0 0 0 0, 0.0 38,-1.1 0, 0.0 2,-0.1 -0.131 39.2-172.9 -57.5 149.0 23.8 -33.0 56.6 20 20 A K B +b 57 0B 121 36,-0.3 2,-0.3 -3,-0.1 38,-0.1 -0.602 28.2 136.1-148.5 79.3 24.1 -32.1 60.3 21 21 A V - 0 0 49 36,-1.7 2,-0.1 -2,-0.1 0, 0.0 -0.866 49.4-103.6-124.6 157.9 21.5 -29.6 61.4 22 22 A K - 0 0 156 -2,-0.3 2,-0.3 1,-0.1 35,-0.0 -0.425 26.1-116.8 -85.0 158.2 19.3 -29.5 64.5 23 23 A Q - 0 0 11 -2,-0.1 -1,-0.1 36,-0.1 104,-0.1 -0.709 20.2-132.0 -91.3 138.7 15.6 -30.3 65.0 24 24 A W - 0 0 168 -2,-0.3 -1,-0.0 36,-0.3 -2,-0.0 -0.574 27.1-131.8 -90.5 76.4 13.2 -27.6 66.1 25 25 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 105,-0.1 0.172 33.2-153.6 -26.9 137.5 11.2 -29.1 69.0 26 26 A L - 0 0 30 1,-0.2 35,-0.0 2,-0.0 5,-0.0 -0.419 16.8 -70.9-114.2-175.2 7.5 -28.5 68.4 27 27 A T > - 0 0 84 -2,-0.1 4,-0.9 1,-0.1 -1,-0.2 0.039 53.1-100.6 -63.9 177.8 4.0 -28.1 70.1 28 28 A E H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.824 126.6 48.1 -71.9 -30.9 2.2 -31.1 71.6 29 29 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.878 107.3 50.9 -76.0 -44.0 0.2 -31.1 68.4 30 30 A K H > S+ 0 0 74 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.710 116.6 42.1 -71.1 -18.8 3.0 -30.9 65.8 31 31 A I H X S+ 0 0 15 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.849 109.8 54.8 -91.3 -45.1 4.9 -33.8 67.5 32 32 A K H >X S+ 0 0 104 -4,-1.7 4,-1.9 2,-0.2 3,-0.5 0.944 111.0 49.4 -51.0 -50.5 1.8 -36.1 68.1 33 33 A A H >X S+ 0 0 30 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.954 109.8 46.3 -53.9 -62.8 1.1 -35.8 64.4 34 34 A L H 3X S+ 0 0 13 -4,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.661 109.4 58.5 -58.5 -17.0 4.6 -36.6 63.0 35 35 A V H X S+ 0 0 76 -4,-2.3 4,-1.6 1,-0.3 3,-0.7 0.848 114.8 46.3 -35.2 -55.6 2.3 -40.1 60.3 38 38 A C H 3X S+ 0 0 5 -4,-1.3 4,-1.4 1,-0.3 -1,-0.3 0.770 106.2 57.5 -65.0 -28.7 5.8 -41.6 60.6 39 39 A T H S+ 0 0 34 -4,-1.6 5,-1.0 1,-0.3 6,-0.8 0.812 113.6 66.1 -52.9 -26.4 5.1 -45.0 56.4 42 42 A E H ><5S+ 0 0 49 -4,-1.4 3,-1.8 -5,-0.3 -1,-0.3 0.975 103.7 41.6 -56.2 -56.5 7.1 -46.9 59.1 43 43 A K H <<5S+ 0 0 136 -4,-1.9 -1,-0.2 -3,-0.7 -2,-0.2 0.767 109.2 61.4 -63.1 -27.3 4.8 -49.9 58.8 44 44 A E T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.433 111.4-121.1 -81.6 2.0 4.7 -49.5 55.1 45 45 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.297 82.2 116.3 78.7 -11.1 8.4 -50.1 54.9 46 46 A K S - 0 0 28 -2,-0.3 3,-0.6 86,-0.1 -1,-0.1 -0.001 47.9 -66.1 -98.7-153.7 20.0 -45.5 66.1 52 52 A P T 3 S+ 0 0 124 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.594 109.9 87.1 -75.9 -13.6 22.9 -43.4 67.2 53 53 A E T 3 S+ 0 0 167 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.294 76.3 79.9 -73.1 14.4 25.3 -44.8 64.5 54 54 A N < - 0 0 15 -3,-0.6 -1,-0.1 1,-0.1 -4,-0.0 -0.955 57.9-174.9-124.9 109.8 24.0 -42.1 62.2 55 55 A P + 0 0 79 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.430 55.9 90.8 -80.8 -3.5 25.5 -38.6 62.7 56 56 A Y + 0 0 19 65,-0.3 2,-0.3 -36,-0.1 -36,-0.3 -0.419 48.7 178.8 -93.6 169.5 23.3 -36.8 60.2 57 57 A N B -b 20 0B 16 -38,-1.1 -36,-1.7 65,-0.1 68,-0.3 -0.846 14.1-161.5-172.7 133.8 20.0 -35.1 60.6 58 58 A T B -d 125 0C 1 66,-1.1 68,-0.9 -2,-0.3 2,-0.4 -0.926 37.0-101.1-119.9 142.9 17.5 -33.1 58.6 59 59 A P - 0 0 6 0, 0.0 12,-2.7 0, 0.0 2,-0.4 -0.496 32.8-153.9 -68.1 119.5 14.8 -30.8 60.0 60 60 A V B -F 70 0D 4 66,-0.5 -36,-0.3 -2,-0.4 2,-0.2 -0.796 13.6-171.6 -96.9 132.6 11.3 -32.4 60.1 61 61 A F - 0 0 57 8,-3.3 2,-0.4 -2,-0.4 -35,-0.0 -0.710 15.6-144.9-117.9 170.3 8.3 -30.1 60.0 62 62 A A + 0 0 32 -2,-0.2 2,-0.4 2,-0.0 -29,-0.0 -0.870 21.0 169.9-142.6 104.8 4.6 -30.5 60.4 63 63 A I - 0 0 119 -2,-0.4 2,-1.0 -33,-0.0 -2,-0.0 -0.967 34.8-126.3-117.6 128.7 2.1 -28.5 58.4 64 64 A K - 0 0 142 -2,-0.4 2,-0.4 1,-0.1 -2,-0.0 -0.644 23.8-138.2 -77.2 103.3 -1.7 -29.3 58.4 65 65 A K - 0 0 186 -2,-1.0 2,-0.1 1,-0.1 -1,-0.1 -0.485 29.8-153.6 -61.9 114.6 -2.6 -29.7 54.7 66 66 A K 0 0 133 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 -0.397 360.0 360.0 -94.6 171.9 -5.9 -27.9 54.5 67 67 A D 0 0 211 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.789 360.0 360.0 68.3 360.0 -9.0 -28.1 52.2 68 ! 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 69 74 A L 0 0 134 0, 0.0 -8,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.5 7.4 -32.3 55.4 70 75 A V B -F 60 0D 21 76,-0.4 2,-1.0 -10,-0.2 -10,-0.2 -0.807 360.0-137.6-104.4 140.5 11.2 -32.7 55.6 71 76 A D + 0 0 29 -12,-2.7 3,-0.5 -2,-0.4 4,-0.2 -0.710 30.8 163.0-101.5 89.3 13.8 -30.0 54.9 72 77 A F > + 0 0 4 -2,-1.0 4,-2.7 1,-0.2 5,-0.4 0.350 33.8 122.5 -83.5 3.4 16.5 -31.5 52.7 73 78 A R H > S+ 0 0 172 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.821 81.8 40.4 -32.4 -50.2 17.9 -28.1 51.6 74 79 A E H > S+ 0 0 63 -3,-0.5 4,-1.8 2,-0.2 3,-0.3 0.972 113.5 52.4 -67.9 -54.9 21.3 -29.0 53.1 75 80 A L H >> S+ 0 0 0 1,-0.3 4,-1.1 -4,-0.2 3,-0.8 0.932 107.4 52.8 -44.6 -58.3 21.3 -32.6 51.9 76 81 A N H >< S+ 0 0 38 -4,-2.7 3,-1.2 1,-0.3 -1,-0.3 0.883 104.2 56.1 -47.3 -46.1 20.5 -31.6 48.4 77 82 A K H 3< S+ 0 0 127 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.912 109.9 47.2 -53.6 -42.6 23.5 -29.1 48.4 78 83 A R H << S+ 0 0 46 -4,-1.8 -65,-3.5 -3,-0.8 -1,-0.3 0.598 95.0 96.1 -75.8 -14.4 25.7 -32.1 49.3 79 84 A T B << S-A 12 0A 0 -3,-1.2 -67,-0.2 -4,-1.1 -69,-0.0 -0.522 80.1-105.2 -84.0 147.8 24.3 -34.4 46.7 80 85 A Q - 0 0 27 -69,-1.6 2,-0.3 -2,-0.2 -1,-0.1 0.091 38.9-102.6 -55.7 176.4 25.9 -35.0 43.2 81 86 A D - 0 0 75 504,-0.1 2,-0.2 -69,-0.1 -1,-0.1 -0.749 32.4-157.2-103.4 153.4 24.4 -33.5 40.1 82 87 A F - 0 0 19 1,-0.3 503,-0.2 -2,-0.3 3,-0.1 -0.580 26.8 -89.9-118.8-175.6 22.3 -35.5 37.6 83 88 A W S S- 0 0 50 501,-0.8 2,-0.8 -2,-0.2 -1,-0.3 0.466 76.0 -35.6 -73.3-135.4 21.5 -35.0 34.0 84 89 A E > - 0 0 65 1,-0.1 2,-1.4 69,-0.0 3,-0.6 -0.759 38.4-173.9-102.9 105.2 18.5 -33.0 32.7 85 90 A V T 3 S+ 0 0 66 -2,-0.8 -1,-0.1 1,-0.3 68,-0.0 -0.221 91.7 16.1 -80.6 43.7 15.2 -33.2 34.6 86 91 A Q T 3 + 0 0 108 -2,-1.4 -1,-0.3 2,-0.0 3,-0.2 0.343 61.1 176.2 149.0 66.9 13.6 -31.1 31.8 87 92 A L S < S- 0 0 86 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.971 77.0 -38.3 -45.8 -70.1 15.4 -30.8 28.5 88 93 A G - 0 0 25 577,-0.1 -1,-0.2 576,-0.0 -2,-0.0 -0.978 61.9-107.8-158.6 148.0 12.6 -28.9 27.0 89 94 A I - 0 0 51 -2,-0.3 2,-0.2 -3,-0.2 577,-0.1 -0.563 39.6-110.4 -79.6 141.5 8.8 -29.0 27.2 90 95 A P - 0 0 5 0, 0.0 575,-0.1 0, 0.0 -1,-0.1 -0.534 34.7-133.4 -68.8 138.5 7.0 -30.3 24.2 91 96 A H > - 0 0 42 -2,-0.2 3,-3.2 1,-0.1 4,-0.3 -0.800 12.9-121.5 -96.6 138.2 5.1 -27.4 22.6 92 97 A P G > S+ 0 0 5 0, 0.0 3,-2.3 0, 0.0 222,-0.3 0.847 111.1 60.4 -39.2 -50.6 1.4 -27.9 21.6 93 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 284,-0.0 0.607 100.8 58.0 -58.1 -12.7 2.2 -27.0 17.9 94 99 A G G < S+ 0 0 3 -3,-3.2 -1,-0.3 219,-0.1 2,-0.2 0.472 88.8 90.5 -97.8 -5.0 4.5 -29.9 17.8 95 100 A L < - 0 0 49 -3,-2.3 219,-3.4 -4,-0.3 2,-0.4 -0.592 69.6-134.5 -90.5 153.4 2.0 -32.6 18.8 96 101 A K - 0 0 80 217,-0.2 219,-0.1 -2,-0.2 -2,-0.1 -0.854 34.8 -95.1-107.0 142.7 -0.1 -34.5 16.3 97 102 A K - 0 0 133 -2,-0.4 2,-0.3 135,-0.1 135,-0.2 0.020 40.2-158.6 -54.9 162.5 -3.9 -35.0 16.9 98 103 A K - 0 0 42 133,-2.9 89,-0.2 1,-0.1 3,-0.1 -0.951 25.0-133.8-140.7 160.5 -5.3 -38.1 18.6 99 104 A K S S+ 0 0 140 87,-2.0 2,-0.3 1,-0.3 88,-0.2 0.941 93.2 9.0 -79.3 -50.3 -8.6 -40.0 18.9 100 105 A S E -G 186 0E 13 86,-1.7 86,-1.6 88,-0.1 2,-0.3 -0.969 68.4-169.4-133.0 148.9 -8.6 -40.4 22.6 101 106 A V E +G 185 0E 30 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.984 5.7 175.7-138.3 149.4 -6.3 -39.0 25.4 102 107 A T E -G 184 0E 17 82,-3.1 82,-2.9 -2,-0.3 2,-0.5 -0.951 16.4-156.6-157.6 135.4 -5.7 -39.6 29.0 103 108 A V E -G 183 0E 3 115,-0.8 2,-0.4 -2,-0.3 80,-0.2 -0.921 15.5-155.7-111.9 133.9 -3.5 -38.5 31.8 104 109 A L E -G 182 0E 1 78,-1.7 2,-1.7 -2,-0.5 78,-0.8 -0.903 18.9-129.9-108.0 136.5 -2.9 -40.7 34.8 105 110 A D + 0 0 82 -2,-0.4 76,-0.2 1,-0.2 3,-0.2 -0.640 27.6 176.8 -85.7 87.3 -1.9 -39.4 38.1 106 111 A V + 0 0 5 -2,-1.7 3,-0.4 74,-0.2 -1,-0.2 0.511 30.8 154.7 -67.1 -1.6 1.0 -41.7 38.7 107 112 A G > + 0 0 12 73,-0.9 2,-2.3 1,-0.2 3,-0.8 0.375 52.5 28.3 14.7-112.0 1.3 -39.5 41.8 108 113 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.2 -3,-0.2 102,-0.2 -0.213 79.3 114.3 -71.4 49.1 3.0 -41.1 44.8 109 114 A A T >> + 0 0 3 -2,-2.3 3,-2.6 -3,-0.4 4,-1.4 0.612 60.1 81.5 -89.3 -16.8 5.2 -43.5 42.8 110 115 A Y G X4 S+ 0 0 22 -3,-0.8 3,-0.6 1,-0.3 34,-0.4 0.932 93.4 47.0 -50.5 -46.0 8.0 -41.4 44.2 111 116 A F G 34 S+ 0 0 31 1,-0.2 -1,-0.3 32,-0.1 -2,-0.2 0.348 102.7 63.7 -80.6 6.3 7.7 -43.5 47.3 112 117 A S G <4 S+ 0 0 6 -3,-2.6 -109,-0.4 -110,-0.1 -1,-0.2 0.740 84.5 87.5 -97.1 -27.0 7.5 -46.7 45.3 113 118 A V S << S- 0 0 6 -4,-1.4 31,-2.6 -3,-0.6 2,-0.2 -0.608 82.0-121.8 -79.4 122.7 11.1 -46.4 43.9 114 119 A P B -I 143 0F 16 0, 0.0 -106,-0.4 0, 0.0 29,-0.3 -0.417 21.0-136.5 -68.0 125.9 13.9 -47.8 46.2 115 120 A L - 0 0 2 27,-1.0 5,-0.1 -2,-0.2 -108,-0.1 -0.600 39.8 -83.5 -82.3 140.7 16.6 -45.4 47.2 116 121 A D > - 0 0 14 -108,-0.4 4,-2.0 -2,-0.3 -1,-0.1 -0.168 39.0-138.1 -44.5 124.7 20.2 -46.5 47.0 117 122 A E H > S+ 0 0 96 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.933 100.3 54.0 -53.1 -53.3 20.8 -48.4 50.3 118 123 A D H >4 S+ 0 0 120 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.882 110.8 47.2 -49.6 -45.6 24.3 -46.9 50.9 119 124 A F H >> S+ 0 0 3 1,-0.2 3,-3.8 2,-0.1 4,-0.5 0.866 86.7 87.0 -66.3 -42.3 22.9 -43.4 50.5 120 125 A R H >< S+ 0 0 49 -4,-2.0 3,-1.4 1,-0.3 21,-0.5 0.711 76.6 70.5 -31.5 -36.6 19.9 -43.9 52.9 121 126 A K G X< S+ 0 0 88 -3,-0.7 3,-0.9 -4,-0.5 -1,-0.3 0.753 90.8 57.9 -59.7 -25.1 22.0 -43.0 55.8 122 127 A Y G <4 S+ 0 0 33 -3,-3.8 -1,-0.3 1,-0.2 -2,-0.2 0.733 93.4 69.8 -77.4 -19.8 22.2 -39.3 54.7 123 128 A T G << + 0 0 0 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.384 69.5 138.0 -78.4 2.6 18.4 -39.1 54.9 124 129 A A < + 0 0 0 -3,-0.9 -66,-1.1 16,-0.1 2,-0.3 -0.238 25.4 172.7 -56.0 131.6 18.3 -39.4 58.7 125 130 A F E -dE 58 139C 2 14,-2.1 14,-1.9 -68,-0.3 2,-0.4 -0.917 20.7-126.5-136.3 162.7 15.8 -37.0 60.5 126 131 A T E - 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0 0 60 -2,-0.2 36,-0.2 36,-0.2 -1,-0.0 -0.690 36.5 -95.5 -89.9 146.1 22.0 -28.8 19.8 557 25 B P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -181,-0.1 -0.382 45.7-151.6 -58.9 133.1 18.6 -29.6 18.4 558 26 B L - 0 0 9 -183,-0.1 -179,-0.1 1,-0.1 35,-0.0 -0.754 16.2-106.5-106.1 156.6 19.1 -31.9 15.5 559 27 B T > - 0 0 15 -2,-0.3 4,-1.1 1,-0.1 -179,-0.2 -0.251 32.9-103.7 -76.8 171.0 16.7 -32.2 12.5 560 28 B E H >> S+ 0 0 78 -181,-3.6 3,-2.2 2,-0.2 4,-1.3 0.988 114.5 52.2 -57.1 -69.5 14.4 -35.2 11.9 561 29 B E H 3> S+ 0 0 108 1,-0.3 4,-1.8 -182,-0.2 -1,-0.2 0.833 113.1 45.5 -37.2 -50.2 16.3 -37.0 9.2 562 30 B K H 3> S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.704 102.9 64.1 -75.1 -16.1 19.5 -37.0 11.2 563 31 B I H S+ 0 0 16 -4,-1.6 5,-2.1 1,-0.2 6,-0.8 0.786 107.9 58.6 -60.9 -25.7 26.9 -50.0 17.9 574 42 B E H ><5S+ 0 0 65 -4,-1.8 3,-1.7 3,-0.2 -1,-0.2 0.954 104.7 47.8 -67.1 -50.6 25.2 -51.0 21.2 575 43 B K H 3<5S+ 0 0 179 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.1 0.981 110.2 52.0 -50.1 -63.2 24.7 -54.6 19.9 576 44 B E T 3<5S- 0 0 111 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.558 117.2-120.2 -53.3 -7.8 28.3 -54.7 18.8 577 45 B G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 2,-0.2 -1,-0.2 0.528 78.0 123.9 80.4 6.2 29.2 -53.5 22.3 578 46 B K S + 0 0 4 -2,-1.3 4,-4.0 71,-0.2 5,-0.4 0.241 36.1 115.1 -92.5 13.1 34.9 -33.8 21.7 610 78 B R H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 79.8 44.9 -48.3 -53.4 36.6 -30.4 21.5 611 79 B E H > S+ 0 0 56 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.918 116.7 46.0 -57.5 -45.8 35.9 -29.7 25.1 612 80 B L H >> S+ 0 0 0 2,-0.2 4,-1.7 -4,-0.2 3,-0.9 0.920 109.1 53.0 -63.8 -47.2 37.0 -33.1 26.2 613 81 B N H 3< S+ 0 0 29 -4,-4.0 3,-0.3 1,-0.3 -1,-0.2 0.900 108.5 54.3 -55.5 -37.2 40.1 -33.1 24.1 614 82 B K H 3< S+ 0 0 80 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.790 113.9 39.3 -67.7 -26.6 40.8 -29.8 25.9 615 83 B R H << S+ 0 0 61 -4,-1.0 -70,-3.1 -3,-0.9 2,-0.3 0.539 93.8 102.4-101.4 -6.5 40.5 -31.4 29.2 616 84 B T B < S-X 544 0M 0 -4,-1.7 -72,-0.2 -3,-0.3 -74,-0.0 -0.618 79.8-109.6 -81.2 131.3 42.2 -34.7 28.3 617 85 B Q - 0 0 43 -74,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.044 41.3-100.3 -50.2 167.5 45.8 -35.0 29.6 618 86 B D 0 0 112 -74,-0.1 -1,-0.1 1,-0.0 65,-0.0 -0.608 360.0 360.0-101.7 159.0 48.6 -34.9 27.0 619 87 B F 0 0 111 -2,-0.2 64,-0.0 2,-0.1 -1,-0.0 -0.707 360.0 360.0-139.4 360.0 50.8 -37.5 25.3 620 ! 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 0.0 621 93 B G 0 0 95 0, 0.0 -2,-0.1 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 62.8 53.7 -39.6 20.6 622 94 B I - 0 0 77 64,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.856 360.0-148.1 71.0 109.5 53.1 -38.9 16.9 623 95 B P - 0 0 104 0, 0.0 87,-0.2 0, 0.0 -1,-0.1 -0.806 8.7-124.3-109.3 151.1 55.5 -36.5 15.0 624 96 B H - 0 0 67 -2,-0.3 2,-0.3 273,-0.1 85,-0.1 -0.818 19.3-156.9 -99.5 124.3 55.1 -34.1 12.1 625 97 B P - 0 0 43 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.681 17.5-141.4 -94.1 147.1 57.3 -34.3 8.9 626 98 B A S S+ 0 0 57 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.146 81.7 95.4 -93.1 20.5 57.8 -31.3 6.7 627 99 B G S >> S+ 0 0 23 1,-0.2 3,-3.0 2,-0.2 4,-1.1 0.986 73.7 48.9 -75.2 -63.2 57.6 -33.8 3.8 628 100 B L T 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.670 96.2 77.9 -54.4 -15.5 54.1 -33.8 2.5 629 101 B K T 34 S+ 0 0 62 266,-0.2 122,-0.5 1,-0.2 -1,-0.3 0.888 107.3 29.8 -59.8 -35.5 54.4 -30.0 2.5 630 102 B K T <4 S+ 0 0 148 -3,-3.0 -2,-0.2 -4,-0.4 -1,-0.2 0.656 92.7 121.8 -98.6 -20.5 56.4 -30.5 -0.7 631 103 B K < - 0 0 41 -4,-1.1 89,-0.2 1,-0.1 3,-0.1 0.115 65.1-128.9 -43.9 158.6 54.9 -33.6 -2.2 632 104 B K S S+ 0 0 134 1,-0.3 2,-0.3 87,-0.2 88,-0.2 0.695 89.1 5.7 -84.1 -22.4 53.4 -33.6 -5.7 633 105 B S E -D 719 0R 8 86,-0.8 86,-1.4 116,-0.1 2,-0.3 -0.986 61.0-165.1-159.2 152.3 50.1 -35.1 -4.4 634 106 B V E -DE 718 748R 0 114,-0.9 114,-3.5 -2,-0.3 2,-0.4 -0.985 4.1-161.1-142.0 149.0 48.5 -36.2 -1.1 635 107 B T E -D 717 0R 28 82,-1.6 82,-3.9 -2,-0.3 2,-0.4 -0.993 13.0-141.4-131.9 136.4 45.5 -38.4 -0.4 636 108 B V E -D 716 0R 54 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.828 15.7-163.6-102.0 139.1 43.5 -38.4 2.9 637 109 B L E -D 715 0R 6 78,-2.6 78,-1.3 -2,-0.4 2,-0.9 -0.969 19.1-130.1-126.4 137.9 42.2 -41.6 4.4 638 110 B D E +D 714 0R 29 -2,-0.4 76,-0.2 76,-0.2 3,-0.2 -0.731 35.2 160.3 -88.6 107.8 39.5 -42.2 7.1 639 111 B V + 0 0 2 74,-4.0 4,-0.5 -2,-0.9 75,-0.2 -0.096 35.6 114.3-116.0 32.9 41.0 -44.6 9.7 640 112 B G >> + 0 0 0 73,-0.3 3,-1.6 1,-0.2 4,-0.5 0.926 66.0 67.3 -68.8 -43.5 38.6 -43.8 12.5 641 113 B D H >> S+ 0 0 85 1,-0.3 3,-1.7 102,-0.2 4,-0.5 0.891 84.0 72.5 -41.3 -55.4 37.1 -47.3 12.5 642 114 B A H >> S+ 0 0 1 100,-0.6 3,-1.8 1,-0.3 4,-0.5 0.796 91.7 59.5 -28.0 -51.8 40.3 -48.8 13.7 643 115 B Y H X4 S+ 0 0 0 -3,-1.6 3,-1.2 -4,-0.5 34,-1.0 0.831 87.0 69.6 -51.9 -45.9 39.8 -47.3 17.1 644 116 B F H << S+ 0 0 28 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.653 91.6 65.5 -52.0 -15.0 36.4 -49.0 17.9 645 117 B S H << S+ 0 0 99 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.942 91.7 72.4 -71.5 -48.2 38.4 -52.2 18.2 646 118 B V S << S- 0 0 33 -3,-1.2 31,-1.9 -4,-0.5 2,-0.1 -0.442 82.6-124.9 -74.2 136.7 40.4 -51.0 21.2 647 119 B P B -G 676 0S 31 0, 0.0 2,-0.4 0, 0.0 29,-0.3 -0.374 16.9-132.0 -79.3 158.2 38.7 -50.7 24.7 648 120 B L - 0 0 3 27,-3.0 5,-0.1 -109,-0.1 -109,-0.1 -0.890 35.3 -89.5-112.7 140.1 38.7 -47.6 26.8 649 121 B D >> - 0 0 19 -109,-0.5 4,-1.4 -2,-0.4 3,-1.2 -0.138 37.7-126.1 -44.6 133.4 39.6 -47.5 30.5 650 122 B E H 3> S+ 0 0 128 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.882 104.7 47.8 -54.9 -46.2 36.5 -48.1 32.6 651 123 B D H 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.538 110.3 52.3 -77.3 -5.1 36.6 -45.0 34.8 652 124 B F H X> S+ 0 0 1 -3,-1.2 3,-1.1 2,-0.1 4,-0.6 0.706 90.2 79.8 -96.0 -24.7 37.2 -42.6 31.8 653 125 B R H >< S+ 0 0 38 -4,-1.4 3,-2.3 -3,-0.3 21,-0.4 0.865 80.3 65.9 -46.8 -47.4 34.2 -44.0 29.9 654 126 B K G >< S+ 0 0 83 -4,-0.6 3,-2.0 1,-0.3 -1,-0.3 0.880 93.7 60.4 -44.0 -47.2 31.8 -41.9 32.0 655 127 B Y G <4 S+ 0 0 44 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.745 93.5 65.7 -56.7 -24.2 33.3 -38.7 30.5 656 128 B T G << S+ 0 0 0 -3,-2.3 -1,-0.3 -4,-0.6 18,-0.2 0.318 72.4 138.7 -82.8 10.6 32.3 -39.8 27.0 657 129 B A < + 0 0 0 -3,-2.0 -67,-0.6 16,-0.2 2,-0.3 -0.255 24.8 168.3 -57.9 141.9 28.6 -39.6 27.8 658 130 B F E -aB 590 672P 1 14,-1.4 14,-2.0 -69,-0.2 2,-0.4 -0.942 22.9-125.0-148.8 168.1 26.4 -38.1 25.0 659 131 B T E - B 0 671P 6 -69,-0.9 -67,-0.3 -2,-0.3 12,-0.2 -0.965 6.7-152.4-134.7 134.0 22.8 -37.7 24.1 660 132 B I E - B 0 670P 2 10,-1.5 10,-2.4 -2,-0.4 -67,-0.0 -0.862 35.2-146.0 -94.8 110.7 20.4 -38.5 21.2 661 133 B P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 8,-0.0 -0.275 2.8-130.1 -74.3 161.2 17.6 -35.8 21.5 662 134 B S > - 0 0 30 5,-0.3 3,-2.1 -2,-0.0 2,-0.2 -0.928 28.5-100.4-117.8 140.5 13.9 -36.3 20.7 663 135 B I G > S- 0 0 39 -2,-0.4 3,-1.0 1,-0.3 -286,-0.2 -0.356 106.8 -0.5 -62.3 124.7 11.8 -34.0 18.5 664 136 B N G 3 S- 0 0 1 -288,-2.6 -1,-0.3 1,-0.2 -287,-0.1 0.746 114.3 -90.4 67.6 23.4 9.7 -31.6 20.6 665 137 B N G < S+ 0 0 25 -3,-2.1 -1,-0.2 -289,-0.3 -2,-0.2 0.804 83.9 145.0 43.0 38.0 11.2 -33.3 23.7 666 138 B E < + 0 0 43 -3,-1.0 -489,-0.2 -577,-0.1 -1,-0.2 0.623 68.9 35.8 -77.6 -10.8 8.3 -35.8 23.7 667 139 B T S S- 0 0 69 -491,-0.1 -5,-0.3 -5,-0.1 3,-0.1 -0.937 92.6-108.0-137.0 154.5 10.8 -38.4 24.9 668 140 B P - 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -583,-0.1 -0.410 54.8 -86.7 -76.0 169.0 13.8 -38.1 27.3 669 141 B G - 0 0 28 1,-0.1 2,-0.9 -2,-0.1 -10,-0.0 -0.227 33.0-114.2 -73.2 166.5 17.1 -38.3 25.5 670 142 B I E -B 660 0P 51 -10,-2.4 -10,-1.5 -3,-0.1 2,-0.4 -0.842 35.6-156.9-103.5 97.6 18.9 -41.6 24.7 671 143 B R E +B 659 0P 22 -2,-0.9 -89,-1.8 -89,-0.3 2,-0.2 -0.589 19.8 165.7 -78.9 128.7 22.1 -41.5 26.9 672 144 B Y E -B 658 0P 7 -14,-2.0 -14,-1.4 -2,-0.4 2,-0.3 -0.703 17.2-161.9-129.4-176.2 25.0 -43.5 25.8 673 145 B Q - 0 0 32 -93,-0.2 -93,-2.3 -2,-0.2 -16,-0.2 -0.911 27.1-102.5-169.8 139.3 28.7 -43.8 26.6 674 146 B Y B +Z 579 0O 4 -21,-0.4 -95,-0.2 -2,-0.3 -18,-0.2 -0.371 24.3 178.1 -73.9 148.9 31.7 -45.3 24.9 675 147 B N S S+ 0 0 19 -97,-2.8 -27,-3.0 -2,-0.1 -96,-0.2 0.518 75.5 45.8-115.5 -23.8 33.3 -48.6 25.9 676 148 B V B S-G 647 0S 13 -98,-1.1 -32,-0.2 -29,-0.3 -31,-0.1 -0.275 110.9 -61.1-106.5-168.4 35.8 -48.5 23.1 677 149 B L - 0 0 0 -31,-1.9 -1,-0.1 -34,-1.0 -2,-0.1 -0.704 58.9-133.0 -80.4 124.5 38.1 -45.8 21.7 678 150 B P > - 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.3 -0.362 16.8-112.5 -75.0 155.6 35.9 -42.9 20.4 679 151 B Q T 3 S+ 0 0 19 1,-0.2 -72,-0.2 -2,-0.1 3,-0.1 -0.637 98.0 18.6 -87.5 148.2 36.5 -41.3 17.1 680 152 B G T 3 S+ 0 0 8 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.491 92.1 125.8 74.6 -0.3 37.7 -37.7 16.9 681 153 B W < - 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