==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-JAN-13 4IM3 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE TBK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.TU,M.J.ECK . 605 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.2 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 . 38 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 1 0 1 0 0 3 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 3 2 2 0 2 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 . 0 1 1 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 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 G 0 0 114 0, 0.0 2,-0.0 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 58.0 132.2 5.7 -23.5 2 0 A S - 0 0 106 10,-0.1 11,-1.0 11,-0.0 2,-0.3 -0.281 360.0-163.5 -73.6 160.7 131.3 4.4 -26.9 3 1 A M E -A 12 0A 97 9,-0.2 9,-0.2 10,-0.1 2,-0.1 -0.993 12.0-134.4-142.7 146.0 129.3 6.4 -29.3 4 2 A Q E +A 11 0A 45 7,-1.1 7,-1.7 -2,-0.3 2,-0.3 -0.332 29.4 178.3 -88.7-175.6 127.3 5.7 -32.5 5 3 A S E -A 10 0A 27 5,-0.2 71,-2.2 -2,-0.1 72,-0.3 -0.986 22.1-147.8-170.6 167.6 127.6 7.6 -35.7 6 4 A T - 0 0 1 3,-3.7 69,-0.1 -2,-0.3 25,-0.1 -0.777 49.6 -83.3-134.9-176.0 126.6 8.2 -39.3 7 5 A S S S+ 0 0 75 67,-0.5 68,-0.1 -2,-0.2 3,-0.0 0.905 128.2 22.8 -55.9 -43.7 128.4 9.5 -42.3 8 6 A N S S+ 0 0 50 23,-0.1 23,-3.7 22,-0.1 24,-0.5 0.672 125.1 39.7-100.8 -19.8 127.6 13.1 -41.4 9 7 A H E - B 0 30A 7 21,-0.3 -3,-3.7 22,-0.1 2,-0.3 -0.875 50.4-173.5-132.7 161.4 127.0 13.0 -37.6 10 8 A L E -AB 5 29A 66 19,-1.6 19,-2.1 -2,-0.3 2,-0.3 -0.983 8.1-179.4-148.9 156.7 128.1 11.4 -34.3 11 9 A W E -A 4 0A 3 -7,-1.7 -7,-1.1 -2,-0.3 17,-0.2 -0.968 29.8-117.2-160.0 136.2 126.9 11.4 -30.7 12 10 A L E -A 3 0A 60 15,-0.4 15,-0.2 -2,-0.3 -9,-0.2 -0.512 23.0-138.1 -66.7 144.1 127.7 10.0 -27.3 13 11 A L S S+ 0 0 67 -11,-1.0 3,-0.2 1,-0.2 -1,-0.1 0.712 103.8 64.4 -76.0 -20.9 125.0 7.7 -26.1 14 12 A S S S+ 0 0 90 -12,-0.3 2,-2.1 1,-0.2 -1,-0.2 0.853 87.5 73.3 -66.5 -35.9 125.4 9.3 -22.7 15 13 A D S S+ 0 0 55 12,-0.1 12,-2.9 -3,-0.1 2,-0.3 -0.422 70.7 159.8 -81.5 65.5 124.2 12.6 -24.2 16 14 A I E +C 26 0A 74 -2,-2.1 10,-0.3 10,-0.3 3,-0.1 -0.714 24.3 179.9 -92.5 137.3 120.5 11.5 -24.5 17 15 A L E + 0 0 85 8,-4.0 2,-0.3 1,-0.4 9,-0.2 0.700 68.2 0.2-105.3 -30.0 117.8 14.1 -24.8 18 16 A G E -C 25 0A 30 7,-2.2 7,-3.9 2,-0.0 -1,-0.4 -0.990 54.8-153.3-161.9 155.6 114.7 11.9 -25.0 19 17 A Q E +C 24 0A 158 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.973 16.8 170.3-142.5 120.0 113.6 8.3 -25.0 20 18 A G - 0 0 41 3,-3.7 -2,-0.0 -2,-0.4 0, 0.0 -0.797 46.6-108.7-122.6 169.3 110.5 6.7 -26.5 21 19 A A S S+ 0 0 107 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.796 122.0 38.3 -63.8 -28.2 109.4 3.1 -27.1 22 20 A T S S- 0 0 100 1,-0.3 21,-1.2 20,-0.1 22,-0.5 0.842 129.7 -4.9 -91.4 -38.0 110.0 3.5 -30.8 23 21 A A E - D 0 42A 9 19,-0.2 -3,-3.7 20,-0.1 2,-0.3 -0.952 55.6-127.0-153.1 164.8 113.2 5.6 -30.7 24 22 A N E -CD 19 41A 35 17,-2.0 17,-3.1 -2,-0.3 2,-0.5 -0.870 19.8-144.3-113.7 152.4 115.8 7.4 -28.6 25 23 A V E +CD 18 40A 34 -7,-3.9 -8,-4.0 -2,-0.3 -7,-2.2 -0.967 20.7 179.4-122.5 121.3 116.9 11.0 -29.1 26 24 A F E -CD 16 39A 15 13,-2.8 13,-3.6 -2,-0.5 2,-0.6 -0.762 30.0-118.2-114.8 161.4 120.5 12.1 -28.5 27 25 A R E + D 0 38A 92 -12,-2.9 -15,-0.4 -2,-0.3 11,-0.2 -0.885 48.6 152.0 -99.4 120.6 122.4 15.3 -28.8 28 26 A G E - D 0 37A 3 9,-2.3 9,-2.0 -2,-0.6 2,-0.3 -0.603 34.4-113.9-132.4-168.5 125.2 15.1 -31.4 29 27 A R E -BD 10 36A 122 -19,-2.1 -19,-1.6 7,-0.2 2,-0.4 -0.950 27.7-104.7-133.6 153.0 127.3 17.2 -33.8 30 28 A H E > -B 9 0A 37 5,-2.5 4,-2.4 -2,-0.3 -21,-0.3 -0.671 31.8-139.0 -72.1 131.7 127.7 17.5 -37.5 31 29 A K T 4 S+ 0 0 111 -23,-3.7 -1,-0.1 -2,-0.4 -22,-0.1 0.804 97.7 42.5 -63.5 -32.6 131.1 15.9 -38.2 32 30 A K T 4 S+ 0 0 157 -24,-0.5 -1,-0.2 1,-0.1 -23,-0.1 0.808 129.9 21.2 -90.8 -29.6 132.1 18.5 -40.7 33 31 A T T 4 S- 0 0 82 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.736 89.4-128.9-107.5 -33.1 131.0 21.7 -38.9 34 32 A G < + 0 0 30 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.408 54.5 154.9 93.8 -0.7 130.8 20.7 -35.3 35 33 A D - 0 0 94 -6,-0.1 -5,-2.5 -5,-0.1 -1,-0.3 -0.340 46.7-111.5 -66.5 139.4 127.3 22.2 -35.2 36 34 A L E +D 29 0A 64 -7,-0.2 51,-0.4 -3,-0.1 2,-0.3 -0.481 43.3 166.6 -72.9 138.2 124.8 20.8 -32.7 37 35 A F E -D 28 0A 37 -9,-2.0 -9,-2.3 -2,-0.2 2,-0.5 -0.975 37.9-111.3-146.1 156.1 121.9 18.8 -33.9 38 36 A A E -DE 27 85A 12 47,-3.3 47,-4.1 -2,-0.3 2,-0.6 -0.807 29.9-154.1 -89.9 126.6 119.2 16.5 -32.4 39 37 A I E -DE 26 84A 0 -13,-3.6 -13,-2.8 -2,-0.5 2,-0.7 -0.898 6.3-165.7-106.5 121.1 119.6 12.9 -33.5 40 38 A K E -DE 25 83A 33 43,-3.5 43,-3.7 -2,-0.6 2,-0.5 -0.905 11.9-164.6-106.1 112.3 116.5 10.7 -33.5 41 39 A V E -DE 24 82A 6 -17,-3.1 -17,-2.0 -2,-0.7 2,-0.4 -0.863 8.3-154.1-112.1 127.6 117.5 7.0 -33.7 42 40 A F E -D 23 0A 43 39,-1.9 -19,-0.2 -2,-0.5 -20,-0.1 -0.744 10.5-174.2 -95.6 131.5 115.1 4.2 -34.6 43 41 A N 0 0 97 -21,-1.2 -1,-0.1 -2,-0.4 -20,-0.1 0.497 360.0 360.0-102.7 -5.5 115.9 0.8 -33.3 44 42 A N 0 0 138 -22,-0.5 -1,-0.1 37,-0.1 36,-0.0 0.122 360.0 360.0 45.2 360.0 113.0 -0.7 -35.3 45 ! 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 46 47 A R 0 0 128 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 105.7 -0.9 -43.1 47 48 A P - 0 0 87 0, 0.0 4,-0.5 0, 0.0 3,-0.2 -0.093 360.0-109.1 -67.2 163.5 107.6 -1.3 -46.4 48 49 A V S >> S+ 0 0 112 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.889 107.5 36.3 -64.4 -49.3 110.7 0.6 -47.3 49 50 A D H 3> S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.559 100.0 74.2 -89.8 -5.7 109.8 3.2 -50.0 50 51 A V H 3> S+ 0 0 66 -3,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.751 106.2 43.8 -65.6 -25.7 106.4 3.9 -48.6 51 52 A Q H <> S+ 0 0 70 -3,-0.6 4,-2.0 -4,-0.5 -2,-0.2 0.768 101.4 62.4 -89.8 -36.3 108.6 5.7 -46.1 52 53 A M H X S+ 0 0 47 -4,-0.8 4,-0.7 1,-0.2 -2,-0.2 0.828 109.4 46.2 -60.9 -31.2 111.0 7.3 -48.6 53 54 A R H >X S+ 0 0 84 -4,-1.3 4,-1.3 2,-0.2 3,-0.6 0.928 111.0 48.7 -72.8 -51.3 108.0 9.2 -49.9 54 55 A E H 3X S+ 0 0 120 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.743 106.3 60.1 -63.4 -26.8 106.6 10.2 -46.5 55 56 A F H 3X S+ 0 0 40 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.851 100.8 54.9 -66.2 -37.8 110.1 11.5 -45.6 56 57 A E H - 0 0 53 -2,-0.5 3,-1.6 3,-0.4 58,-0.0 -0.999 54.3-130.4-149.6 146.9 107.8 26.8 -40.2 64 65 A K T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.771 110.7 45.0 -58.7 -32.7 108.8 28.9 -37.3 65 66 A N T 3 S+ 0 0 12 88,-0.1 89,-2.8 55,-0.1 2,-0.4 0.110 101.0 81.8-106.3 20.5 106.8 26.9 -34.8 66 67 A I B < S-g 154 0B 9 -3,-1.6 -3,-0.4 87,-0.3 89,-0.2 -0.993 84.9-118.8-125.4 123.1 107.9 23.5 -36.1 67 68 A V - 0 0 12 87,-2.4 2,-0.3 -2,-0.4 -2,-0.1 -0.403 42.9-113.4 -56.1 129.8 111.2 21.9 -35.2 68 69 A K - 0 0 41 -2,-0.1 18,-2.3 -4,-0.1 2,-0.7 -0.488 18.4-149.2 -79.5 131.5 113.1 21.6 -38.5 69 70 A L E +F 85 0A 23 -8,-0.4 16,-0.2 -11,-0.3 3,-0.1 -0.892 20.6 175.6 -94.7 113.1 113.8 18.2 -40.0 70 71 A F E - 0 0 101 14,-1.7 2,-0.3 -2,-0.7 -1,-0.2 0.960 52.5 -16.9 -83.4 -57.8 117.1 18.6 -41.9 71 72 A A E -F 84 0A 31 13,-1.2 13,-2.4 2,-0.0 2,-0.5 -0.947 48.2-129.1-150.1 162.0 118.1 15.1 -43.2 72 73 A I E +F 83 0A 48 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.963 34.1 173.1-120.5 116.7 117.5 11.4 -42.8 73 74 A E E -F 82 0A 19 9,-1.5 9,-3.2 -2,-0.5 2,-0.5 -0.773 31.5-118.5-123.4 164.9 120.6 9.1 -42.5 74 75 A E E -F 81 0A 86 -2,-0.3 -67,-0.5 7,-0.2 7,-0.2 -0.867 32.9-120.6 -98.3 128.9 121.5 5.5 -41.8 75 76 A E - 0 0 5 5,-1.7 -69,-0.2 -2,-0.5 -1,-0.0 -0.253 26.0-124.3 -57.2 160.7 123.5 4.7 -38.6 76 77 A T S S+ 0 0 85 -71,-2.2 -70,-0.1 1,-0.1 -1,-0.1 0.918 100.2 39.9 -85.8 -44.4 126.8 3.1 -39.6 77 78 A T S S+ 0 0 113 -72,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.920 127.5 27.8 -74.8 -41.9 126.9 -0.2 -37.6 78 79 A T S S- 0 0 64 2,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.858 76.6-132.9-108.3 154.4 123.1 -1.0 -38.1 79 80 A R + 0 0 180 -2,-0.3 3,-0.1 -5,-0.1 -3,-0.1 0.287 60.9 133.4 -85.3 13.2 121.1 0.2 -41.1 80 81 A H - 0 0 34 1,-0.1 -5,-1.7 -6,-0.1 2,-0.2 -0.353 64.5-101.8 -66.4 146.3 118.2 1.3 -38.9 81 82 A K E - F 0 74A 65 -7,-0.2 -39,-1.9 -40,-0.1 2,-0.3 -0.470 37.7-170.0 -75.2 132.3 117.0 4.8 -39.9 82 83 A V E -EF 41 73A 0 -9,-3.2 -9,-1.5 -41,-0.2 2,-0.5 -0.901 13.0-137.8-118.3 152.8 118.0 7.9 -37.8 83 84 A L E -EF 40 72A 17 -43,-3.7 -43,-3.5 -2,-0.3 2,-0.8 -0.937 2.0-150.8-111.5 126.6 116.7 11.5 -38.0 84 85 A I E +EF 39 71A 1 -13,-2.4 -14,-1.7 -2,-0.5 -13,-1.2 -0.847 32.5 172.7 -93.5 113.1 118.8 14.6 -37.9 85 86 A M E -EF 38 69A 27 -47,-4.1 -47,-3.3 -2,-0.8 2,-0.2 -0.744 40.9 -80.7-121.8 163.3 116.6 17.3 -36.3 86 87 A E - 0 0 42 -18,-2.3 2,-0.4 -2,-0.3 -49,-0.1 -0.450 48.1-131.1 -62.1 125.6 117.0 20.9 -35.1 87 88 A F - 0 0 34 -51,-0.4 -1,-0.1 -2,-0.2 -51,-0.1 -0.680 11.8-154.4 -82.8 132.6 118.5 20.8 -31.6 88 89 A C > - 0 0 14 -2,-0.4 3,-1.0 1,-0.1 54,-0.2 -0.864 5.5-167.9-111.8 97.7 116.7 23.0 -29.0 89 90 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.720 82.8 55.2 -56.8 -30.3 119.3 23.9 -26.3 90 91 A C T 3 S- 0 0 40 52,-0.7 2,-0.4 1,-0.3 53,-0.1 0.769 100.4-140.8 -79.8 -28.3 116.7 25.2 -23.8 91 92 A G E < -H 142 0B 22 -3,-1.0 51,-3.1 51,-0.6 -1,-0.3 -0.833 33.5 -36.6 105.3-140.7 114.7 22.1 -23.7 92 93 A S E > -H 141 0B 15 -2,-0.4 4,-2.1 49,-0.3 49,-0.3 -0.641 52.3 -98.5-122.6 172.9 110.9 21.8 -23.5 93 94 A L H > S+ 0 0 0 47,-3.2 4,-2.7 44,-0.8 45,-0.2 0.837 124.7 58.0 -57.9 -32.5 107.9 23.4 -22.0 94 95 A Y H > S+ 0 0 123 43,-1.5 4,-0.9 46,-0.2 -1,-0.2 0.926 103.1 51.6 -58.9 -50.6 108.1 20.6 -19.4 95 96 A T H >> S+ 0 0 70 42,-0.2 3,-1.1 1,-0.2 4,-0.5 0.943 112.2 47.1 -48.3 -55.2 111.6 21.8 -18.5 96 97 A V H >< S+ 0 0 8 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.906 109.5 52.6 -52.9 -49.0 110.2 25.3 -18.1 97 98 A L H 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.591 99.1 65.7 -69.9 -10.4 107.3 24.1 -16.0 98 99 A E H << S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.655 77.7 104.1 -84.4 -18.1 109.8 22.3 -13.7 99 100 A E S X< S- 0 0 73 -3,-1.6 3,-2.1 -4,-0.5 277,-0.0 -0.503 75.2-136.5 -63.6 126.5 111.2 25.7 -12.7 100 101 A P G > S+ 0 0 4 0, 0.0 3,-1.2 0, 0.0 284,-0.2 0.729 104.7 62.6 -54.1 -27.8 109.9 26.6 -9.2 101 102 A S G 3 S+ 0 0 69 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.612 106.7 45.1 -78.0 -10.1 109.3 30.2 -10.4 102 103 A N G X S+ 0 0 9 -3,-2.1 3,-1.7 -6,-0.2 -1,-0.3 0.139 79.5 110.3-110.3 15.4 106.8 28.7 -12.8 103 104 A A T < S+ 0 0 17 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.683 87.4 36.7 -65.2 -17.8 105.3 26.4 -10.1 104 105 A Y T 3 S- 0 0 41 1,-0.5 124,-0.5 -3,-0.2 73,-0.3 0.048 133.8 -64.3-124.3 23.7 102.1 28.5 -10.2 105 106 A G < - 0 0 2 -3,-1.7 -1,-0.5 122,-0.2 70,-0.2 -0.236 63.3 -66.8 113.2 157.8 102.0 29.2 -13.9 106 107 A L - 0 0 0 68,-2.5 122,-0.3 1,-0.1 123,-0.1 -0.384 60.4 -90.7 -69.8 153.8 104.1 31.1 -16.5 107 108 A P > - 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.422 43.2-111.9 -58.2 145.9 104.5 34.8 -16.4 108 109 A E H > S+ 0 0 12 1,-0.2 4,-1.6 120,-0.2 121,-0.1 0.871 116.6 52.5 -51.4 -43.5 101.8 36.3 -18.5 109 110 A S H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.889 112.7 44.3 -61.8 -41.6 104.3 37.6 -21.2 110 111 A E H > S+ 0 0 38 -3,-0.4 4,-1.7 1,-0.2 3,-0.4 0.873 108.9 57.1 -70.2 -40.2 105.8 34.1 -21.5 111 112 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.831 102.5 56.3 -57.6 -36.8 102.4 32.4 -21.6 112 113 A L H X S+ 0 0 42 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.820 103.4 52.6 -70.3 -31.2 101.4 34.5 -24.6 113 114 A I H X S+ 0 0 9 -4,-0.9 4,-2.7 -3,-0.4 39,-0.3 0.903 109.8 49.7 -69.5 -41.7 104.4 33.4 -26.6 114 115 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.940 111.3 48.1 -58.9 -51.1 103.4 29.8 -25.9 115 116 A L H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.938 114.5 47.0 -54.5 -50.9 99.9 30.4 -27.0 116 117 A R H X S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 116.2 42.1 -57.3 -49.6 101.0 32.1 -30.2 117 118 A D H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.866 113.1 50.1 -74.6 -40.7 103.6 29.5 -31.2 118 119 A V H X S+ 0 0 3 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.933 113.2 47.8 -58.8 -47.2 101.5 26.4 -30.4 119 120 A V H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.904 111.3 49.3 -62.9 -44.8 98.6 27.8 -32.4 120 121 A G H X S+ 0 0 19 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.850 112.5 48.5 -64.2 -36.0 100.7 28.8 -35.4 121 122 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.934 111.3 50.0 -68.9 -47.9 102.3 25.3 -35.4 122 123 A M H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.939 110.7 49.0 -51.2 -55.9 98.9 23.6 -35.2 123 124 A N H X S+ 0 0 33 -4,-2.6 4,-3.9 1,-0.2 -1,-0.2 0.882 108.1 53.9 -56.4 -41.9 97.4 25.6 -38.0 124 125 A H H X S+ 0 0 26 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.896 109.8 48.4 -59.9 -41.7 100.4 24.9 -40.3 125 126 A L H ><>S+ 0 0 3 -4,-2.0 5,-2.1 2,-0.2 3,-1.3 0.962 114.1 45.8 -59.2 -54.6 99.8 21.2 -39.6 126 127 A R H ><5S+ 0 0 109 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.917 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17.1-145.7-109.5 125.9 85.7 16.9 -6.3 218 258 A D E -K 209 0C 78 -9,-3.2 -9,-1.9 -2,-0.5 2,-0.2 -0.800 22.8-163.5 -88.2 112.0 86.0 20.6 -6.1 219 259 A W E -K 208 0C 90 -2,-0.9 2,-0.3 -11,-0.2 -11,-0.2 -0.595 8.2-175.6 -90.4 155.6 85.0 21.9 -9.5 220 260 A S E -K 207 0C 50 -13,-1.2 -14,-2.3 -2,-0.2 -13,-1.2 -0.985 29.5-166.1-150.7 141.6 85.8 25.4 -10.6 221 261 A G S S+ 0 0 36 -2,-0.3 2,-0.2 -16,-0.2 21,-0.1 0.427 77.5 72.9 -97.9 -2.7 85.0 27.5 -13.6 222 262 A D S S- 0 0 87 -15,-0.0 -16,-0.1 1,-0.0 3,-0.1 -0.698 86.7-105.0-112.0 162.1 87.6 30.1 -12.6 223 263 A M - 0 0 12 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.540 48.3 -97.1 -73.1 147.5 91.4 30.2 -12.6 224 264 A P > - 0 0 35 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.248 27.6-117.1 -62.2 154.3 93.1 29.8 -9.1 225 265 A V T 3 S+ 0 0 67 1,-0.3 130,-0.1 -3,-0.1 128,-0.1 0.841 114.3 64.2 -59.9 -33.2 94.1 33.0 -7.3 226 266 A S T 3 S+ 0 0 10 128,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.574 76.2 110.9 -72.1 -9.9 97.7 31.8 -7.6 227 267 A C < - 0 0 6 -3,-1.4 -122,-0.2 1,-0.1 -51,-0.1 -0.449 61.6-151.5 -62.9 139.2 97.5 32.1 -11.3 228 268 A S + 0 0 35 -53,-0.6 -120,-0.2 -124,-0.5 -1,-0.1 0.617 58.6 113.2 -92.6 -14.4 99.7 35.0 -12.4 229 269 A L S S- 0 0 6 -54,-0.4 -2,-0.0 1,-0.1 -6,-0.0 -0.270 76.1-104.0 -58.6 141.6 97.7 35.8 -15.5 230 270 A S > - 0 0 15 1,-0.1 4,-2.8 4,-0.0 3,-0.2 -0.278 23.2-116.7 -64.0 154.5 96.0 39.2 -15.4 231 271 A R H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.859 116.4 61.3 -57.8 -38.2 92.2 39.3 -14.8 232 272 A G H > S+ 0 0 6 51,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.913 111.3 37.8 -54.1 -47.7 91.9 40.9 -18.3 233 273 A L H >> S+ 0 0 2 -3,-0.2 4,-3.2 2,-0.2 3,-0.9 0.906 110.7 57.9 -72.4 -44.1 93.4 37.7 -19.8 234 274 A Q H 3X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.879 104.2 54.6 -52.5 -40.6 91.7 35.2 -17.4 235 275 A V H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.796 116.2 37.8 -65.5 -28.9 88.3 36.6 -18.5 236 276 A L H X S+ 0 0 8 -4,-3.2 4,-1.8 1,-0.2 3,-0.8 0.911 100.6 66.1 -75.4 -45.9 91.1 32.6 -21.7 238 278 A T H 3X S+ 0 0 27 -4,-2.6 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37.6-152.8-160.6 111.1 114.2 9.2 -0.2 368 408 A L H > S+ 0 0 11 -2,-0.2 4,-1.4 1,-0.2 153,-0.1 0.827 98.6 42.3 -56.5 -39.6 115.8 10.5 -3.4 369 409 A D H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.907 118.7 44.3 -74.8 -42.7 112.6 10.6 -5.4 370 410 A G H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.7 51.0 -68.9 -44.5 110.4 12.0 -2.6 371 411 A D H X S+ 0 0 3 -4,-3.5 4,-3.3 2,-0.2 -1,-0.2 0.893 109.6 49.1 -62.9 -44.5 113.0 14.6 -1.6 372 412 A A H X S+ 0 0 8 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.872 112.7 48.8 -61.8 -38.2 113.4 16.0 -5.1 373 413 A S H X S+ 0 0 87 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.899 114.4 46.2 -66.9 -40.9 109.6 16.2 -5.5 374 414 A M H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.915 105.9 58.5 -68.0 -46.8 109.4 18.0 -2.2 375 415 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.867 105.8 50.9 -51.0 -41.8 112.3 20.4 -3.0 376 416 A K H X S+ 0 0 51 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.925 111.3 47.1 -62.6 -45.1 110.3 21.6 -6.0 377 417 A A H X S+ 0 0 48 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.924 114.5 43.7 -65.9 -49.8 107.2 22.3 -4.0 378 418 A I H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.858 116.7 47.6 -67.1 -35.8 108.7 24.1 -1.1 379 419 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.830 107.6 58.1 -68.9 -34.6 110.9 26.2 -3.4 380 420 A G H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.836 102.2 53.7 -64.4 -37.5 107.9 26.9 -5.6 381 421 A V H X S+ 0 0 5 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.914 107.7 49.2 -64.7 -44.3 106.0 28.5 -2.7 382 422 A V H X S+ 0 0 0 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.882 108.3 53.1 -65.7 -39.0 108.8 30.9 -1.9 383 423 A C H X S+ 0 0 18 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.951 112.7 45.6 -57.4 -48.3 109.1 32.0 -5.6 384 424 A Y H X S+ 0 0 10 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.927 113.8 48.3 -57.9 -46.9 105.4 32.6 -5.3 385 425 A A H X S+ 0 0 7 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.854 112.9 49.0 -60.3 -36.2 106.0 34.4 -2.0 386 426 A C H X S+ 0 0 11 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.903 110.7 49.8 -70.8 -42.3 108.8 36.3 -3.7 387 427 A R H X S+ 0 0 71 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.888 112.0 47.9 -62.4 -41.0 106.5 37.2 -6.6 388 428 A I H X S+ 0 0 9 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.927 108.8 54.1 -66.4 -43.4 103.8 38.4 -4.2 389 429 A A H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.879 109.1 49.3 -55.0 -40.9 106.3 40.5 -2.2 390 430 A S H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.932 112.3 47.3 -67.1 -45.3 107.4 42.2 -5.4 391 431 A T H X S+ 0 0 38 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.889 108.8 53.5 -64.0 -41.7 103.8 42.9 -6.4 392 432 A L H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.901 111.6 46.6 -59.4 -42.4 102.9 44.3 -3.0 393 433 A L H X S+ 0 0 34 -4,-1.8 4,-3.1 -5,-0.2 -2,-0.2 0.904 111.2 51.7 -65.1 -43.6 105.8 46.7 -3.2 394 434 A L H X S+ 0 0 40 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.937 108.6 51.0 -59.2 -47.9 104.8 47.7 -6.7 395 435 A Y H X S+ 0 0 20 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.905 113.5 45.7 -55.7 -42.7 101.3 48.4 -5.6 396 436 A Q H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 113.0 48.6 -68.5 -41.6 102.7 50.6 -2.8 397 437 A E H X S+ 0 0 70 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.901 114.4 46.1 -66.2 -38.9 105.2 52.4 -5.0 398 438 A L H X S+ 0 0 3 -4,-3.1 4,-3.1 -5,-0.2 5,-0.2 0.911 111.2 51.7 -69.3 -44.1 102.5 53.0 -7.6 399 439 A M H X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.937 110.0 50.2 -52.2 -51.0 100.0 54.2 -5.0 400 440 A R H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.880 113.7 44.8 -60.1 -40.2 102.6 56.6 -3.6 401 441 A K H X S+ 0 0 60 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.933 114.5 48.1 -68.6 -49.3 103.3 58.0 -7.1 402 442 A G H X S+ 0 0 1 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.887 111.1 50.2 -59.2 -44.2 99.7 58.3 -8.0 403 443 A I H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.921 109.0 52.4 -59.3 -47.1 98.8 60.0 -4.8 404 444 A R H X S+ 0 0 106 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.905 112.9 46.0 -55.3 -43.6 101.6 62.5 -5.3 405 445 A W H X S+ 0 0 39 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.885 108.3 54.1 -68.3 -43.1 100.3 63.2 -8.7 406 446 A L H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.897 104.9 53.7 -61.9 -44.0 96.6 63.6 -7.7 407 447 A I H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.901 109.8 49.1 -56.9 -40.0 97.4 66.2 -5.1 408 448 A E H X S+ 0 0 92 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.852 110.1 51.5 -68.7 -33.7 99.2 68.2 -7.7 409 449 A L H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 110.3 47.6 -67.1 -49.5 96.2 67.8 -10.1 410 450 A I H X S+ 0 0 1 -4,-3.0 4,-3.5 1,-0.2 -2,-0.2 0.909 109.3 54.9 -55.4 -43.4 93.8 69.1 -7.4 411 451 A K H X S+ 0 0 61 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.860 105.4 52.2 -59.9 -37.6 96.2 71.9 -6.8 412 452 A D H X S+ 0 0 62 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.936 111.9 46.1 -60.4 -48.3 95.9 72.8 -10.5 413 453 A D H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 112.2 51.4 -56.9 -48.6 92.1 72.8 -10.1 414 454 A Y H X S+ 0 0 23 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.874 113.0 44.5 -55.3 -41.0 92.6 74.9 -6.9 415 455 A N H X S+ 0 0 77 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.781 111.0 54.8 -76.5 -27.0 94.7 77.3 -8.8 416 456 A E H X S+ 0 0 139 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.906 112.7 42.2 -71.1 -42.4 92.3 77.3 -11.7 417 457 A T H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.897 109.6 55.7 -73.4 -42.8 89.4 78.2 -9.4 418 458 A V H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 107.6 52.2 -54.9 -40.5 91.4 80.8 -7.5 419 459 A H H < S+ 0 0 103 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.921 108.5 50.3 -59.2 -45.3 92.1 82.5 -10.8 420 460 A K H >X S+ 0 0 55 -4,-1.5 3,-1.0 2,-0.2 4,-0.9 0.891 108.5 50.9 -62.7 -44.1 88.3 82.4 -11.6 421 461 A K H >X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.3 3,-1.1 0.932 111.4 48.4 -56.2 -46.0 87.5 84.1 -8.3 422 462 A T H 3< S+ 0 0 70 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.485 108.1 57.4 -76.4 -1.4 90.0 86.7 -9.0 423 463 A E H <4 S+ 0 0 98 -3,-1.0 4,-0.4 -4,-0.2 -1,-0.3 0.580 114.2 35.9 -98.9 -15.8 88.5 87.0 -12.4 424 464 A V H S+ 0 0 101 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.910 112.9 42.4 -59.1 -47.9 87.7 92.3 -10.4 427 467 A T H > S+ 0 0 72 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.898 116.0 50.3 -66.9 -41.5 84.5 92.7 -12.5 428 468 A L H < S+ 0 0 2 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.906 110.2 49.3 -63.4 -44.2 82.4 92.9 -9.4 429 469 A D H >X S+ 0 0 55 -4,-3.3 4,-2.9 1,-0.2 3,-0.9 0.880 109.5 52.1 -62.3 -40.1 84.5 95.5 -7.7 430 470 A F H 3< S+ 0 0 156 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.867 110.4 46.6 -69.0 -35.6 84.5 97.7 -10.8 431 471 A C T 3< S+ 0 0 37 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.309 118.6 42.2 -92.6 8.0 80.6 97.6 -11.2 432 472 A I T X> S+ 0 0 16 -3,-0.9 3,-1.4 -4,-0.3 4,-1.4 0.654 113.6 47.8-112.3 -42.8 80.2 98.4 -7.5 433 473 A R H 3X S+ 0 0 151 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.658 109.7 59.6 -68.2 -15.2 82.9 101.0 -7.1 434 474 A N H 34 S+ 0 0 75 -4,-0.5 4,-0.4 -5,-0.3 -1,-0.3 0.472 96.9 58.8 -92.5 -5.8 81.3 102.4 -10.2 435 475 A I H <> S+ 0 0 22 -3,-1.4 4,-2.4 2,-0.1 -2,-0.2 0.925 110.7 40.2 -75.7 -56.8 78.0 102.8 -8.4 436 476 A E H X S+ 0 0 84 -4,-1.4 4,-2.7 2,-0.3 -2,-0.2 0.894 114.7 51.4 -58.3 -47.3 79.4 105.1 -5.8 437 477 A K H < S+ 0 0 154 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.2 0.857 117.8 40.3 -60.8 -35.1 81.6 107.1 -8.2 438 478 A T H >4 S+ 0 0 77 -4,-0.4 3,-0.9 1,-0.1 -2,-0.3 0.739 111.0 59.7 -82.2 -25.8 78.5 107.6 -10.4 439 479 A V H 3< S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.951 97.1 57.8 -65.3 -49.3 76.4 108.2 -7.3 440 480 A K T 3< 0 0 184 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 0.192 360.0 360.0 -73.5 20.3 78.4 111.2 -6.1 441 481 A V < 0 0 160 -3,-0.9 -3,-0.1 -5,-0.1 -4,-0.0 -0.286 360.0 360.0 -93.0 360.0 77.6 112.8 -9.5 442 ! 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 0.0 443 492 A A > 0 0 98 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.4 63.8 109.3 -3.9 444 493 A A H > + 0 0 78 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.763 360.0 54.3 -82.2 -31.3 62.7 106.4 -6.1 445 494 A E H > S+ 0 0 121 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.956 111.5 41.2 -63.3 -54.6 66.1 106.5 -7.6 446 495 A L H > S+ 0 0 126 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.854 113.1 56.1 -62.4 -36.3 67.9 106.2 -4.3 447 496 A G H X S+ 0 0 39 -4,-1.0 4,-0.6 1,-0.2 -1,-0.3 0.797 112.0 43.5 -64.2 -29.0 65.2 103.6 -3.3 448 497 A E H X S+ 0 0 87 -4,-1.2 4,-1.8 -3,-0.4 3,-0.2 0.889 111.4 51.8 -81.7 -43.3 66.3 101.7 -6.4 449 498 A I H X S+ 0 0 62 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.854 99.8 61.1 -67.4 -38.9 70.0 102.0 -6.0 450 499 A S H X S+ 0 0 55 -4,-2.0 4,-5.2 2,-0.2 5,-0.3 0.903 107.0 48.0 -54.8 -43.5 70.2 100.8 -2.4 451 500 A D H X>S+ 0 0 69 -4,-0.6 4,-2.7 2,-0.2 5,-0.6 0.971 111.2 48.9 -57.5 -56.5 68.8 97.5 -3.7 452 501 A I H <5S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.718 121.6 39.1 -55.8 -22.4 71.3 97.4 -6.5 453 502 A H H X5S+ 0 0 40 -4,-1.7 4,-3.3 -5,-0.2 -2,-0.2 0.907 118.1 42.8 -90.4 -60.3 73.8 98.1 -3.8 454 503 A T H X5S+ 0 0 70 -4,-5.2 4,-1.1 1,-0.2 -3,-0.2 0.914 117.1 47.1 -53.2 -51.7 72.6 96.0 -0.8 455 504 A K H X5S+ 0 0 70 -4,-2.7 4,-0.5 -5,-0.3 3,-0.3 0.885 115.3 47.6 -58.5 -39.9 71.9 93.0 -3.0 456 505 A L H >> S+ 0 0 82 -4,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.780 109.2 45.6 -80.5 -30.7 91.0 76.1 4.4 473 522 A I H X S+ 0 0 1 -4,-1.0 4,-1.5 -3,-0.3 3,-0.2 0.900 112.7 50.4 -77.2 -43.1 91.3 73.8 1.5 474 523 A D H X S+ 0 0 67 -4,-3.2 4,-0.9 1,-0.2 3,-0.5 0.920 107.3 56.1 -55.4 -46.3 94.8 75.2 0.7 475 524 A S H < S+ 0 0 65 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.844 108.1 47.2 -53.8 -38.5 95.6 74.7 4.4 476 525 A R H < S+ 0 0 34 -4,-1.1 7,-1.3 -3,-0.2 -1,-0.2 0.737 110.0 52.7 -78.3 -23.9 94.7 71.0 4.0 477 526 A L H < S+ 0 0 10 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.539 92.5 95.9 -87.2 -8.5 96.8 70.6 0.8 478 527 A S S >< S- 0 0 42 -4,-0.9 3,-1.8 -3,-0.4 5,-0.2 -0.302 96.6 -95.0 -78.4 167.2 99.8 72.1 2.5 479 528 A P T 3 S+ 0 0 121 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.830 128.6 41.5 -52.3 -37.9 102.6 69.9 4.0 480 529 A G T 3 S+ 0 0 81 -5,-0.1 4,-0.1 4,-0.1 -4,-0.1 0.525 94.0 123.0 -85.2 -5.8 101.1 70.1 7.5 481 530 A G S X S- 0 0 9 -3,-1.8 3,-1.1 -7,-0.1 -5,-0.2 -0.024 77.9-113.9 -58.1 159.0 97.6 69.7 6.0 482 531 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 91,-0.0 -5,-0.1 0.622 117.9 58.1 -71.3 -12.4 95.3 66.8 7.1 483 532 A L T 3 S+ 0 0 6 -7,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.149 83.6 153.7-105.3 36.7 95.7 65.4 3.6 484 533 A A < - 0 0 23 -3,-1.1 3,-0.1 -4,-0.1 4,-0.1 -0.190 44.5-145.7 -68.9 157.8 99.5 65.2 3.9 485 534 A D S > S+ 0 0 36 1,-0.1 3,-2.3 -6,-0.1 4,-0.5 0.722 76.9 93.2 -91.4 -27.9 101.6 62.7 1.9 486 535 A A T >> S+ 0 0 51 1,-0.3 3,-1.4 -7,-0.2 4,-0.5 0.726 74.9 64.1 -43.2 -42.8 104.3 62.1 4.6 487 536 A W H >> S+ 0 0 33 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.796 91.7 63.7 -54.1 -36.1 102.5 59.0 6.1 488 537 A A H <4 S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.762 106.1 45.3 -64.3 -26.6 102.9 57.0 2.8 489 538 A H H <4 S+ 0 0 87 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.505 114.3 48.9 -90.5 -9.0 106.7 57.2 3.3 490 539 A Q H << S+ 0 0 145 -3,-1.1 2,-0.2 -4,-0.5 -2,-0.2 0.661 111.2 57.5-100.5 -22.9 106.4 56.3 7.0 491 540 A E S < S+ 0 0 58 -4,-2.1 69,-0.1 -5,-0.2 68,-0.1 -0.691 98.0 8.7-109.7 160.8 104.2 53.4 6.3 492 541 A G S S- 0 0 8 67,-0.7 2,-0.3 -2,-0.2 68,-0.2 -0.228 92.9 -56.6 70.2-159.6 104.6 50.2 4.2 493 542 A T - 0 0 8 -101,-0.1 -2,-0.1 63,-0.1 -3,-0.0 -0.832 41.2-153.1-123.4 158.2 107.9 49.2 2.6 494 543 A H > - 0 0 51 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.839 33.6-107.1-127.0 160.2 110.3 50.8 0.1 495 544 A P G > S+ 0 0 61 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.855 116.7 64.7 -48.9 -41.8 112.8 49.6 -2.5 496 545 A K G 3 S+ 0 0 198 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.625 88.8 67.4 -62.2 -15.9 115.6 50.6 -0.2 497 546 A D G < S- 0 0 55 -3,-1.8 -1,-0.3 1,-0.0 5,-0.1 0.779 89.0-154.7 -74.0 -26.1 114.5 48.0 2.3 498 547 A R <> + 0 0 144 -3,-1.8 4,-2.1 -4,-0.5 5,-0.1 0.846 37.2 152.0 55.8 39.5 115.5 45.3 -0.2 499 548 A N H > S+ 0 0 13 -5,-0.4 4,-1.8 2,-0.2 5,-0.1 0.873 70.1 49.7 -67.2 -36.7 113.1 42.8 1.1 500 549 A V H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.922 112.1 47.7 -67.2 -46.4 112.7 41.0 -2.2 501 550 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 109.7 53.5 -60.4 -39.3 116.5 40.8 -2.6 502 551 A K H X S+ 0 0 110 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.888 114.2 42.4 -61.9 -37.6 116.7 39.5 1.0 503 552 A L H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.834 110.0 56.9 -75.6 -35.4 114.2 36.9 -0.0 504 553 A Q H X S+ 0 0 73 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.849 101.7 56.4 -67.7 -34.5 115.9 36.2 -3.3 505 554 A V H X S+ 0 0 90 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.935 111.0 43.9 -60.0 -46.9 119.1 35.4 -1.5 506 555 A L H X S+ 0 0 23 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.889 112.7 52.3 -64.9 -41.2 117.3 32.7 0.5 507 556 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 106.9 53.3 -61.4 -42.4 115.5 31.5 -2.7 508 557 A N H X S+ 0 0 94 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.874 107.9 48.9 -62.0 -41.8 118.8 31.1 -4.5 509 558 A C H X S+ 0 0 58 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.897 115.5 46.1 -60.7 -41.0 120.3 28.9 -1.8 510 559 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.823 110.1 52.8 -70.7 -34.5 117.2 26.8 -1.9 511 560 A T H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.866 106.0 53.2 -73.0 -36.5 117.1 26.6 -5.6 512 561 A E H X S+ 0 0 124 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.911 110.1 48.1 -62.1 -44.0 120.7 25.4 -5.8 513 562 A I H X S+ 0 0 18 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.887 109.5 53.7 -64.9 -40.1 119.8 22.6 -3.4 514 563 A Y H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 109.8 46.7 -58.7 -46.2 116.7 21.7 -5.4 515 564 A Y H X S+ 0 0 84 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.848 112.7 50.4 -67.0 -33.7 118.8 21.4 -8.5 516 565 A Q H X S+ 0 0 72 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.889 110.0 49.3 -70.0 -39.2 121.3 19.3 -6.6 517 566 A F H X S+ 0 0 1 -4,-2.9 4,-1.6 2,-0.2 -145,-0.2 0.843 108.4 54.2 -64.9 -36.1 118.5 17.1 -5.3 518 567 A K H X S+ 0 0 86 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.876 112.8 43.5 -61.9 -38.6 117.3 16.8 -8.9 519 568 A K H X S+ 0 0 135 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.900 110.4 54.6 -70.1 -44.2 120.9 15.7 -9.7 520 569 A D H < S+ 0 0 16 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.769 105.5 55.0 -61.4 -31.2 121.0 13.3 -6.7 521 570 A K H < S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 103.2 52.9 -67.3 -51.2 117.8 11.7 -7.9 522 571 A A H < S+ 0 0 81 -4,-1.3 2,-0.8 -5,-0.1 -2,-0.2 0.854 100.9 67.0 -55.8 -38.5 119.2 10.8 -11.4 523 572 A E S < S- 0 0 110 -4,-1.7 -1,-0.1 1,-0.2 -4,-0.0 -0.790 86.8-148.2 -84.0 114.8 122.2 9.2 -9.7 524 573 A R S S+ 0 0 160 -2,-0.8 2,-0.3 1,-0.1 -156,-0.2 0.777 70.5 24.1 -66.0 -31.0 120.4 6.2 -8.1 525 574 A R - 0 0 182 -3,-0.1 2,-0.3 -157,-0.0 -1,-0.1 -0.978 68.3-142.5-137.7 145.5 122.6 5.9 -5.0 526 575 A L - 0 0 13 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.783 21.8-114.6-105.5 151.0 124.9 8.1 -3.0 527 576 A A > - 0 0 40 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.340 45.3 -93.3 -70.2 163.5 128.2 7.4 -1.3 528 577 A Y H > S+ 0 0 166 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.866 126.6 42.5 -47.9 -49.1 128.3 7.7 2.5 529 578 A N H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.952 114.1 49.5 -63.8 -54.9 129.5 11.3 2.5 530 579 A E H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.777 106.9 59.6 -55.8 -29.3 127.1 12.4 -0.3 531 580 A E H X S+ 0 0 62 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.945 107.0 44.1 -64.9 -49.4 124.3 10.7 1.6 532 581 A Q H X S+ 0 0 44 -4,-1.6 4,-2.9 -3,-0.3 -2,-0.2 0.911 110.4 54.3 -62.0 -46.9 124.9 12.9 4.7 533 582 A I H X S+ 0 0 82 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.873 106.3 52.9 -56.2 -38.6 125.2 16.1 2.7 534 583 A H H X S+ 0 0 2 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.893 111.8 45.7 -63.3 -38.6 121.9 15.3 1.1 535 584 A K H X S+ 0 0 85 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.871 113.5 49.9 -73.3 -37.4 120.4 15.0 4.5 536 585 A F H X S+ 0 0 114 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.937 112.4 45.5 -61.9 -49.8 122.2 18.2 5.7 537 586 A D H X S+ 0 0 32 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.742 105.9 62.0 -71.0 -21.6 121.0 20.2 2.8 538 587 A K H X S+ 0 0 13 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.2 0.928 108.0 42.9 -64.6 -43.5 117.5 18.8 3.3 539 588 A Q H X S+ 0 0 143 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.848 110.3 56.7 -69.1 -35.4 117.5 20.4 6.7 540 589 A K H X S+ 0 0 99 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.847 101.3 58.6 -64.1 -37.4 119.0 23.6 5.3 541 590 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.938 108.4 43.4 -55.4 -53.2 116.0 23.8 2.9 542 591 A Y H X S+ 0 0 121 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.902 113.4 51.7 -62.5 -42.2 113.5 23.9 5.7 543 592 A Y H X S+ 0 0 133 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 112.6 45.6 -60.6 -44.0 115.5 26.3 7.7 544 593 A H H X S+ 0 0 32 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.892 114.2 48.4 -65.6 -41.4 115.8 28.7 4.7 545 594 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.901 111.1 49.8 -67.5 -43.2 112.1 28.4 3.8 546 595 A T H X S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 109.6 51.0 -62.8 -43.4 111.0 29.0 7.4 547 596 A K H X S+ 0 0 91 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.897 111.5 48.1 -60.8 -42.9 113.2 32.1 7.8 548 597 A A H X S+ 0 0 1 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.932 110.7 49.2 -65.0 -49.2 111.8 33.6 4.5 549 598 A M H X S+ 0 0 31 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.898 111.5 49.7 -59.8 -42.9 108.1 33.0 5.4 550 599 A T H X S+ 0 0 70 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.946 114.9 44.6 -58.4 -49.5 108.6 34.6 8.8 551 600 A H H X>S+ 0 0 46 -4,-2.3 4,-1.7 -5,-0.2 5,-1.3 0.873 113.8 51.9 -61.1 -39.4 110.3 37.5 7.1 552 601 A F H <>S+ 0 0 17 -4,-3.2 5,-2.6 3,-0.2 6,-0.3 0.948 118.3 33.3 -64.0 -51.4 107.6 37.6 4.5 553 602 A T H <>S+ 0 0 64 -4,-3.1 5,-1.4 3,-0.2 -2,-0.2 0.936 124.2 42.7 -72.6 -47.8 104.6 37.6 6.8 554 603 A D H <5S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.798 131.4 18.3 -72.8 -30.6 106.1 39.7 9.6 555 604 A E T X5S+ 0 0 66 -4,-1.7 4,-1.3 -5,-0.4 5,-0.2 0.860 128.3 34.8-109.2 -58.0 107.8 42.3 7.5 556 605 A C H >X S+ 0 0 70 -4,-1.6 4,-0.8 1,-0.2 3,-0.6 0.794 112.0 47.3 -70.1 -31.3 74.5 86.8 -11.2 595 644 A V H 3< S+ 0 0 9 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.797 102.9 64.2 -77.0 -28.8 77.2 89.5 -11.4 596 645 A S T 3< S+ 0 0 72 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.411 101.3 50.5 -77.6 6.3 77.1 89.4 -15.2 597 646 A K T X4 S+ 0 0 110 -3,-0.6 3,-0.6 2,-0.1 -1,-0.2 0.724 107.3 50.1-107.9 -36.6 73.5 90.6 -15.2 598 647 A Y T 3< S+ 0 0 55 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.391 94.7 78.6 -81.5 2.8 74.0 93.6 -12.9 599 648 A Q T 3 S+ 0 0 106 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.829 106.5 26.8 -77.9 -33.8 76.9 94.7 -15.1 600 649 A E S < S+ 0 0 122 -3,-0.6 2,-4.5 -4,-0.1 -1,-0.2 0.245 81.6 127.5-112.2 9.5 74.7 96.2 -17.8 601 650 A Y + 0 0 86 -4,-0.1 2,-0.5 1,-0.1 -3,-0.1 -0.332 34.6 132.0 -66.0 68.6 71.9 96.9 -15.5 602 651 A T + 0 0 97 -2,-4.5 2,-0.4 2,-0.0 -1,-0.1 -0.931 26.2 158.9-125.7 100.3 72.0 100.4 -16.9 603 652 A N + 0 0 134 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.963 2.0 140.9-131.2 118.4 68.5 101.5 -17.8 604 653 A E - 0 0 167 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.979 32.3-145.2-152.8 148.1 67.2 105.0 -18.3 605 654 A L - 0 0 152 -2,-0.3 2,-0.4 0, 0.0 -2,-0.0 -0.929 22.9-162.3-114.8 133.0 64.9 106.9 -20.6 606 655 A Q - 0 0 145 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.888 21.4-105.5-128.0 142.6 65.5 110.6 -21.6 607 656 A E 0 0 148 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.254 360.0 360.0 -60.0 144.4 63.7 113.6 -23.0 608 657 A T 0 0 185 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.663 360.0 360.0 36.1 360.0 64.5 114.5 -26.6