==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-98 3ERK . COMPND 2 MOLECULE: EXTRACELLULAR REGULATED KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.WANG,B.CANAGARAJAH,J.C.BOEHM,M.H.COBB,P.R.YOUNG,S.ABDEL- . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 1 1 1 1 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 6 A A 0 0 97 0, 0.0 14,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.5 -27.0 20.8 23.4 2 7 A A - 0 0 109 3,-0.1 3,-0.2 2,-0.0 0, 0.0 0.197 360.0 -25.4 27.7-143.4 -26.7 21.9 19.8 3 8 A G S S+ 0 0 61 1,-0.3 2,-0.5 10,-0.0 12,-0.0 0.876 136.9 1.1 -56.8-101.8 -23.4 21.1 18.2 4 9 A P S S- 0 0 68 0, 0.0 -1,-0.3 0, 0.0 9,-0.1 -0.806 85.0-123.6 -93.1 124.8 -20.9 20.9 21.1 5 10 A E - 0 0 18 -2,-0.5 7,-2.0 -3,-0.2 2,-0.4 -0.265 27.5-137.6 -61.7 151.4 -22.5 21.5 24.5 6 11 A M E -A 11 0A 120 5,-0.2 2,-0.4 7,-0.1 5,-0.2 -0.927 17.0-169.2-121.9 142.5 -21.0 24.4 26.5 7 12 A V E > S-A 10 0A 10 3,-3.9 3,-1.6 -2,-0.4 -2,-0.0 -0.901 72.6 -33.0-132.3 107.8 -20.1 24.8 30.2 8 13 A R T 3 S- 0 0 192 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.903 125.1 -44.1 53.5 46.3 -19.1 28.1 31.8 9 14 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.382 122.7 100.4 83.7 -6.3 -17.5 29.4 28.6 10 15 A Q E < S-A 7 0A 86 -3,-1.6 -3,-3.9 2,-0.0 2,-0.5 -0.884 78.6-111.7-114.7 145.4 -15.7 26.1 27.9 11 16 A V E -A 6 0A 44 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.623 28.2-175.1 -77.1 123.8 -16.7 23.4 25.5 12 17 A F - 0 0 0 -7,-2.0 2,-2.2 -2,-0.5 -7,-0.2 -0.674 6.4-174.3-120.1 73.5 -17.8 20.2 27.3 13 18 A D + 0 0 71 -2,-0.4 82,-0.1 1,-0.2 2,-0.1 -0.368 24.7 148.9 -71.0 65.0 -18.3 17.9 24.4 14 19 A V > - 0 0 2 -2,-2.2 4,-1.1 1,-0.2 -1,-0.2 -0.063 46.4-143.2 -93.0 36.5 -19.8 14.8 26.2 15 20 A G T 4 - 0 0 24 2,-0.1 -1,-0.2 1,-0.1 -10,-0.0 0.237 40.3 -44.3 39.3-156.2 -21.9 13.9 23.1 16 21 A P T 4 S+ 0 0 116 0, 0.0 22,-0.2 0, 0.0 -1,-0.1 0.986 123.7 64.1 -67.8 -66.5 -25.4 12.5 23.2 17 22 A R T 4 S+ 0 0 75 20,-0.1 21,-2.9 21,-0.1 2,-0.5 0.759 102.9 52.1 -28.8 -51.6 -25.2 9.7 25.8 18 23 A Y E < S+B 37 0B 4 -4,-1.1 19,-0.2 19,-0.2 2,-0.2 -0.841 71.7 151.0-103.3 127.0 -24.5 12.3 28.6 19 24 A T E +B 36 0B 52 17,-2.2 17,-3.0 -2,-0.5 -2,-0.0 -0.541 38.2 59.3-132.8-165.1 -26.8 15.3 29.2 20 25 A N S S- 0 0 122 15,-0.2 -1,-0.2 -2,-0.2 14,-0.1 0.861 73.0-165.5 41.8 51.4 -28.2 17.7 31.7 21 26 A L - 0 0 37 -3,-0.1 2,-0.2 14,-0.1 14,-0.2 0.162 15.7-173.3 -56.0 179.5 -24.7 18.9 32.7 22 27 A S - 0 0 63 12,-0.0 12,-2.4 -15,-0.0 -15,-0.1 -0.703 26.9-112.8 179.9 121.7 -23.8 21.0 35.7 23 28 A Y E +C 33 0B 67 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.308 34.5 166.4 -65.2 146.0 -20.5 22.6 36.7 24 29 A I E - 0 0 95 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.605 57.6 -49.2-127.8 -41.5 -18.6 21.3 39.7 25 30 A G E -C 32 0B 20 7,-1.6 7,-2.4 0, 0.0 -1,-0.4 -0.967 41.1-148.5 177.7 176.4 -15.0 22.7 39.5 26 31 A E E +C 31 0B 97 5,-0.3 2,-0.4 -2,-0.3 5,-0.3 -0.550 16.4 166.8-173.2 106.8 -12.0 23.2 37.3 27 32 A G - 0 0 67 3,-2.2 2,-0.3 -2,-0.1 4,-0.1 -0.651 68.8 -51.3-127.1 80.5 -8.2 23.4 37.9 28 33 A A S S+ 0 0 81 -2,-0.4 2,-3.6 1,-0.1 0, 0.0 -0.770 126.8 0.3 96.4-141.6 -6.1 23.2 34.6 29 34 A Y S S+ 0 0 49 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.249 123.3 90.1 -73.7 54.9 -6.8 20.4 32.2 30 35 A G + 0 0 13 -2,-3.6 -3,-2.2 19,-0.1 2,-0.5 -0.547 42.2 153.2-158.0 86.9 -9.4 19.5 34.7 31 36 A M E -CD 26 48B 4 17,-1.6 17,-2.7 -5,-0.3 2,-0.4 -0.975 25.5-158.1-115.9 125.1 -12.9 20.7 34.7 32 37 A V E +CD 25 47B 38 -7,-2.4 -8,-2.4 -2,-0.5 -7,-1.6 -0.878 15.7 169.4-111.4 137.4 -15.5 18.5 36.3 33 38 A C E -CD 23 46B 0 13,-2.3 13,-2.7 -2,-0.4 2,-0.4 -0.974 30.3-127.6-138.7 149.7 -19.3 18.5 35.7 34 39 A S E + D 0 45B 12 -12,-2.4 11,-0.2 -2,-0.3 2,-0.2 -0.844 37.3 174.4 -99.0 136.8 -22.0 16.1 36.7 35 40 A A E - D 0 44B 0 9,-1.4 9,-2.8 -2,-0.4 2,-0.6 -0.763 34.2 -97.9-133.2 179.7 -24.2 14.8 33.8 36 41 A Y E -BD 19 43B 69 -17,-3.0 -17,-2.2 7,-0.3 2,-1.2 -0.912 24.6-145.5-108.4 117.3 -26.9 12.4 33.1 37 42 A D E >> -BD 18 42B 0 5,-2.6 4,-1.5 -2,-0.6 5,-1.1 -0.690 10.8-166.8 -82.1 99.9 -26.0 9.0 31.6 38 43 A N T 45S+ 0 0 65 -21,-2.9 -1,-0.2 -2,-1.2 -20,-0.1 0.765 84.0 57.5 -59.0 -26.7 -28.9 8.3 29.3 39 44 A L T 45S+ 0 0 110 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.925 121.5 22.3 -72.2 -44.9 -27.7 4.7 29.0 40 45 A N T 45S- 0 0 93 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.306 99.9-125.9-105.1 5.4 -27.8 3.8 32.7 41 46 A K T <5S+ 0 0 137 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.912 71.2 116.2 51.3 48.0 -30.3 6.5 33.8 42 47 A V E < -D 37 0B 71 -5,-1.1 -5,-2.6 57,-0.0 2,-0.2 -0.990 69.9-115.3-147.3 137.9 -27.9 7.8 36.4 43 48 A R E -D 36 0B 77 -2,-0.3 57,-0.6 -7,-0.3 -7,-0.3 -0.540 42.6-173.2 -71.6 134.6 -26.2 11.2 36.8 44 49 A V E -DE 35 99B 1 -9,-2.8 -9,-1.4 -2,-0.2 2,-0.4 -0.509 24.2-108.0-118.8-172.2 -22.4 10.7 36.6 45 50 A A E -DE 34 98B 18 53,-2.7 53,-2.6 -11,-0.2 2,-0.4 -0.976 31.3-171.1-122.4 137.1 -19.3 12.7 37.0 46 51 A I E -DE 33 97B 1 -13,-2.7 -13,-2.3 -2,-0.4 2,-0.5 -0.990 7.8-160.8-132.0 138.3 -17.2 13.7 34.1 47 52 A K E -DE 32 96B 86 49,-2.1 49,-1.8 -2,-0.4 2,-0.5 -0.974 8.1-150.9-122.7 124.9 -13.7 15.3 33.9 48 53 A K E +DE 31 95B 10 -17,-2.7 -17,-1.6 -2,-0.5 2,-0.3 -0.814 21.7 176.5 -94.8 128.5 -12.4 17.2 30.9 49 54 A I E - E 0 94B 4 45,-2.1 45,-1.8 -2,-0.5 -19,-0.1 -0.988 22.5-175.2-135.1 142.3 -8.6 17.1 30.5 50 55 A S + 0 0 48 -2,-0.3 3,-0.4 43,-0.2 43,-0.1 -0.655 26.2 147.4-136.2 76.6 -6.2 18.4 27.8 51 56 A P > + 0 0 0 0, 0.0 3,-0.7 0, 0.0 7,-0.2 0.186 39.1 102.1 -96.1 15.2 -2.7 17.2 28.7 52 57 A F T 3 S+ 0 0 20 40,-0.4 285,-0.1 1,-0.2 3,-0.1 0.672 73.6 60.6 -76.6 -15.1 -1.2 16.7 25.2 53 58 A E T 3 S+ 0 0 131 -3,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.695 105.4 54.1 -81.6 -18.8 0.8 19.9 25.2 54 59 A H <> - 0 0 93 -3,-0.7 4,-1.4 1,-0.1 5,-0.2 -0.943 65.8-153.3-128.8 118.4 2.8 18.8 28.2 55 60 A Q H > S+ 0 0 52 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.812 97.2 54.2 -49.5 -39.8 4.7 15.6 28.7 56 61 A T H >> S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.959 107.8 46.9 -62.3 -53.4 4.3 15.6 32.5 57 62 A Y H 3> S+ 0 0 95 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.733 108.8 58.4 -61.7 -23.0 0.6 15.9 32.4 58 63 A C H 3X S+ 0 0 0 -4,-1.4 4,-2.3 -7,-0.2 -1,-0.3 0.806 103.7 53.0 -76.2 -29.5 0.6 13.1 29.9 59 64 A Q H - 0 0 19 3,-0.5 3,-1.3 -2,-0.3 56,-0.1 -0.994 58.6-126.8-152.8 146.7 -12.6 -2.8 43.6 74 79 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.710 111.4 47.7 -64.7 -23.8 -15.7 -1.6 45.5 75 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.9 53,-0.1 2,-0.4 0.120 102.2 70.1-106.9 20.2 -13.6 0.9 47.5 76 81 A I B < S-g 158 0C 6 -3,-1.3 -3,-0.5 81,-0.3 83,-0.2 -0.990 89.6-112.7-136.1 125.2 -11.7 2.4 44.6 77 82 A I - 0 0 1 81,-2.4 2,-0.3 -2,-0.4 -6,-0.1 -0.262 33.8-148.9 -58.1 139.0 -13.4 4.6 42.0 78 83 A G - 0 0 28 -4,-0.1 2,-0.6 -6,-0.1 21,-0.5 -0.746 16.7-113.6-109.7 159.9 -13.7 3.0 38.6 79 84 A I E -F 98 0B 21 -11,-0.5 19,-0.2 -2,-0.3 3,-0.1 -0.819 25.6-172.1 -90.1 120.2 -13.7 4.6 35.1 80 85 A N E - 0 0 56 17,-3.3 2,-0.3 -2,-0.6 18,-0.2 0.785 66.1 -23.7 -82.7 -26.6 -17.2 4.0 33.6 81 86 A D E -F 97 0B 17 16,-1.2 16,-2.9 2,-0.0 2,-0.3 -0.969 54.0-138.0-172.5 167.5 -16.3 5.3 30.2 82 87 A I E -F 96 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.953 13.7-155.1-146.4 124.1 -13.8 7.6 28.4 83 88 A I E +F 95 0B 37 12,-3.4 12,-2.8 -2,-0.3 2,-0.3 -0.834 28.5 140.0-103.6 135.0 -14.7 10.0 25.6 84 89 A R E -F 94 0B 18 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.975 53.8 -73.4-164.2 159.5 -12.2 11.2 23.0 85 90 A A - 0 0 24 8,-0.5 6,-0.1 -2,-0.3 263,-0.0 -0.090 41.3-118.7 -55.4 158.8 -12.0 11.9 19.2 86 91 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.611 97.2 50.1 -76.3 -11.5 -12.0 9.0 16.8 87 92 A T S > S- 0 0 48 1,-0.1 4,-1.2 0, 0.0 -2,-0.1 -0.958 77.5-132.8-129.2 148.3 -8.5 10.0 15.5 88 93 A I T 4 S+ 0 0 46 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.861 112.1 57.1 -63.2 -34.4 -5.3 10.9 17.3 89 94 A E T 4 S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.891 112.3 39.6 -62.3 -42.0 -5.2 13.9 15.0 90 95 A Q T 4 S+ 0 0 123 -3,-0.0 2,-0.9 2,-0.0 3,-0.3 0.584 90.3 104.6 -86.4 -11.3 -8.6 15.1 16.2 91 96 A M < + 0 0 2 -4,-1.2 3,-0.1 1,-0.2 250,-0.1 -0.621 27.3 138.7 -79.1 108.0 -8.1 14.2 19.9 92 97 A K + 0 0 157 -2,-0.9 -40,-0.4 1,-0.2 2,-0.2 0.708 67.6 33.5-111.4 -45.4 -7.4 17.4 21.8 93 98 A D - 0 0 38 -3,-0.3 -8,-0.5 -43,-0.1 2,-0.4 -0.696 64.1-154.3-111.5 165.5 -9.5 16.7 24.9 94 99 A V E -EF 49 84B 0 -45,-1.8 -45,-2.1 -2,-0.2 2,-0.5 -0.980 4.1-158.2-143.4 125.4 -10.3 13.6 26.9 95 100 A Y E -EF 48 83B 10 -12,-2.8 -12,-3.4 -2,-0.4 2,-0.4 -0.919 6.0-164.4-108.4 125.1 -13.4 13.1 29.0 96 101 A I E -EF 47 82B 22 -49,-1.8 -49,-2.1 -2,-0.5 2,-0.4 -0.910 8.2-152.0-109.2 134.4 -13.3 10.4 31.8 97 102 A V E +EF 46 81B 0 -16,-2.9 -17,-3.3 -2,-0.4 -16,-1.2 -0.919 19.7 167.5-111.8 132.1 -16.6 9.3 33.3 98 103 A Q E -EF 45 79B 46 -53,-2.6 -53,-2.7 -2,-0.4 -19,-0.1 -0.910 45.0 -77.1-136.1 162.6 -17.0 7.9 36.8 99 104 A D E -E 44 0B 74 -21,-0.5 2,-0.6 -2,-0.3 -55,-0.2 -0.201 55.9-104.0 -55.3 151.6 -19.8 7.2 39.2 100 105 A L - 0 0 50 -57,-0.6 2,-0.6 -65,-0.1 -1,-0.1 -0.716 36.9-171.5 -84.5 118.8 -21.3 10.3 40.8 101 106 A M - 0 0 21 -2,-0.6 50,-0.2 1,-0.1 49,-0.1 -0.961 15.0-148.9-113.2 115.6 -20.1 10.6 44.4 102 107 A E - 0 0 106 -2,-0.6 49,-0.2 47,-0.1 2,-0.2 0.851 67.6 -13.9 -49.7 -46.9 -21.9 13.4 46.1 103 108 A T E -H 150 0C 41 47,-2.2 47,-2.3 -3,-0.1 2,-0.3 -0.585 59.6-128.1-141.4-160.9 -19.2 14.4 48.5 104 109 A D E >> -H 149 0C 16 45,-0.3 4,-2.3 -2,-0.2 3,-0.5 -0.962 37.3 -96.1-154.6 165.0 -15.8 13.4 50.1 105 110 A L H 3> S+ 0 0 0 43,-2.1 4,-2.5 40,-0.8 41,-0.3 0.776 117.4 60.7 -59.4 -29.6 -14.3 13.1 53.6 106 111 A Y H 3> S+ 0 0 116 39,-1.0 4,-1.2 42,-0.2 -1,-0.2 0.918 111.1 38.7 -64.9 -43.6 -12.8 16.6 53.4 107 112 A K H <4 S+ 0 0 72 -3,-0.5 5,-0.2 2,-0.2 -2,-0.2 0.898 113.9 56.0 -73.5 -40.5 -16.1 18.3 53.0 108 113 A L H >X S+ 0 0 31 -4,-2.3 4,-3.7 1,-0.2 3,-1.3 0.954 109.3 45.8 -55.2 -53.2 -17.8 15.9 55.4 109 114 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 102.3 64.1 -63.0 -31.2 -15.4 16.7 58.2 110 115 A K T 3< S+ 0 0 131 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.214 124.1 16.0 -79.8 18.9 -15.6 20.5 57.7 111 116 A T T <4 S+ 0 0 95 -3,-1.3 2,-0.3 1,-0.4 -2,-0.2 0.411 117.8 54.6-153.4 -43.7 -19.2 20.3 58.7 112 117 A Q < - 0 0 115 -4,-3.7 2,-0.4 -5,-0.2 -1,-0.4 -0.783 62.3-137.6-110.3 152.0 -20.2 17.1 60.5 113 118 A H - 0 0 151 -2,-0.3 2,-0.3 -3,-0.1 102,-0.1 -0.867 29.2-132.4-100.8 136.4 -18.8 15.3 63.5 114 119 A L - 0 0 11 100,-0.5 2,-0.1 -2,-0.4 103,-0.0 -0.696 7.4-130.3 -95.6 143.7 -18.6 11.5 63.1 115 120 A S >> - 0 0 42 -2,-0.3 4,-2.0 1,-0.1 3,-1.0 -0.439 34.2-105.9 -79.2 163.1 -19.8 8.9 65.5 116 121 A N H 3> S+ 0 0 59 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.797 121.5 58.2 -62.4 -26.8 -17.3 6.2 66.4 117 122 A D H 3> S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.761 106.2 47.0 -74.9 -24.6 -19.2 3.8 64.2 118 123 A H H <> S+ 0 0 81 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.865 111.3 50.3 -81.9 -39.2 -18.8 6.0 61.2 119 124 A I H X S+ 0 0 7 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.911 112.2 49.6 -63.3 -40.9 -15.1 6.5 61.8 120 125 A C H X S+ 0 0 10 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.945 114.1 43.2 -61.5 -52.1 -14.8 2.7 62.1 121 126 A Y H X S+ 0 0 72 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.912 115.6 49.0 -61.9 -45.4 -16.7 1.9 58.9 122 127 A F H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.938 113.4 46.5 -60.3 -48.6 -14.9 4.7 57.0 123 128 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.912 110.0 54.5 -61.3 -44.1 -11.5 3.4 58.2 124 129 A Y H X S+ 0 0 14 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.955 111.2 44.4 -54.0 -52.0 -12.4 -0.2 57.4 125 130 A Q H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.878 110.4 54.9 -61.0 -40.9 -13.3 0.8 53.8 126 131 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.958 115.2 38.8 -56.4 -53.4 -10.1 2.9 53.5 127 132 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.818 111.7 57.1 -68.5 -34.3 -7.9 -0.0 54.5 128 133 A R H X S+ 0 0 12 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.903 112.8 43.1 -63.8 -38.4 -10.0 -2.5 52.5 129 134 A G H >X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 3,-0.5 0.920 113.1 51.0 -71.3 -44.7 -9.3 -0.4 49.5 130 135 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.859 102.4 60.4 -62.6 -35.0 -5.7 0.1 50.4 131 136 A K H 3X S+ 0 0 18 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.881 108.3 45.1 -60.9 -35.7 -5.1 -3.6 50.8 132 137 A Y H <>S+ 0 0 0 -4,-2.2 5,-1.5 1,-0.2 3,-0.8 0.930 114.4 43.9 -49.1 -52.5 -4.0 -1.2 45.9 134 139 A H H ><5S+ 0 0 7 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.872 105.7 61.3 -65.2 -35.8 -1.0 -2.6 47.8 135 140 A S H 3<5S+ 0 0 31 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.783 100.7 56.0 -61.6 -23.5 -1.7 -6.1 46.6 136 141 A A T <<5S- 0 0 0 -4,-1.4 186,-3.7 -3,-0.8 -1,-0.3 0.359 120.7-112.3 -88.5 5.4 -1.2 -4.8 43.1 137 142 A N T < 5S+ 0 0 42 -3,-2.4 30,-2.1 1,-0.3 2,-0.4 0.849 76.8 128.9 66.8 35.4 2.2 -3.5 44.0 138 143 A V E < -J 166 0D 0 -5,-1.5 2,-0.5 28,-0.3 -1,-0.3 -0.930 48.9-149.3-123.3 146.7 1.1 0.1 43.7 139 144 A L E -J 165 0D 0 26,-3.6 26,-2.0 -2,-0.4 61,-0.1 -0.965 2.9-157.3-114.1 129.3 1.4 3.0 46.1 140 145 A H - 0 0 0 -2,-0.5 23,-0.3 24,-0.2 -1,-0.2 0.977 18.3-174.7 -66.7 -56.6 -1.3 5.7 46.1 141 146 A R + 0 0 12 23,-0.1 -1,-0.1 59,-0.1 42,-0.1 0.285 64.8 63.3 79.9 -6.2 1.0 8.3 47.7 142 147 A D + 0 0 13 18,-0.1 2,-0.4 40,-0.1 20,-0.1 -0.138 61.2 156.7-141.6 44.6 -1.6 11.1 48.1 143 148 A L + 0 0 1 43,-0.1 67,-0.1 3,-0.1 17,-0.0 -0.569 16.1 134.1 -75.3 128.6 -4.1 9.8 50.5 144 149 A K > - 0 0 44 -2,-0.4 3,-2.2 65,-0.0 -39,-0.1 -0.953 68.5 -87.7-164.4 161.7 -6.0 12.5 52.3 145 150 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -39,-1.0 0.803 122.9 56.2 -47.0 -40.0 -9.7 13.3 53.1 146 151 A S G 3 S+ 0 0 39 1,-0.3 -3,-0.1 -41,-0.3 -39,-0.0 0.659 102.7 58.2 -70.6 -13.6 -10.4 15.1 49.9 147 152 A N G < S+ 0 0 9 -3,-2.2 12,-2.3 1,-0.1 2,-0.6 0.218 88.6 83.7-100.0 13.9 -9.3 11.9 48.0 148 153 A L E < S- I 0 158C 0 -3,-1.5 -43,-2.1 10,-0.2 10,-0.2 -0.925 71.2-152.2-119.3 103.2 -11.9 9.7 49.6 149 154 A L E -HI 104 157C 27 8,-2.8 8,-2.0 -2,-0.6 2,-0.3 -0.444 12.7-171.4 -76.6 148.1 -15.2 9.9 47.8 150 155 A L E -HI 103 156C 5 -47,-2.3 -47,-2.2 6,-0.2 2,-0.2 -0.985 7.4-157.8-138.5 147.1 -18.5 9.3 49.7 151 156 A N > - 0 0 29 4,-1.1 3,-1.8 -2,-0.3 4,-0.1 -0.681 46.2 -84.5-115.9 176.5 -22.0 8.9 48.5 152 157 A T T 3 S+ 0 0 119 1,-0.3 -51,-0.0 -2,-0.2 -2,-0.0 0.648 125.1 56.9 -54.2 -18.2 -25.3 9.3 50.4 153 158 A T T 3 S- 0 0 92 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.097 118.0-103.1-105.2 23.4 -25.0 5.8 51.8 154 159 A C < + 0 0 36 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.605 69.0 153.4 69.1 10.3 -21.6 6.0 53.5 155 160 A D - 0 0 65 -4,-0.1 -4,-1.1 -30,-0.0 2,-0.4 -0.633 29.7-155.9 -74.2 123.7 -20.0 4.1 50.6 156 161 A L E + I 0 150C 1 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.859 15.4 179.5-108.8 135.8 -16.3 5.1 50.4 157 162 A K E - I 0 149C 38 -8,-2.0 -8,-2.8 -2,-0.4 -81,-0.3 -0.999 24.1-132.4-134.9 131.1 -14.1 5.0 47.3 158 163 A I E +gI 76 148C 0 -83,-2.9 -81,-2.4 -2,-0.4 2,-0.2 -0.597 36.1 170.3 -79.4 141.1 -10.5 6.0 47.1 159 164 A C + 0 0 17 -12,-2.3 -12,-0.0 -2,-0.3 -81,-0.0 -0.773 33.7 67.2-139.2-175.3 -9.7 8.2 44.1 160 165 A D + 0 0 45 -2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.988 37.1 172.3 62.5 73.8 -7.0 10.4 42.5 161 166 A F > + 0 0 0 1,-0.2 3,-0.8 2,-0.1 -1,-0.1 -0.106 39.5 121.2 -98.8 35.8 -4.1 8.1 41.5 162 167 A G T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -20,-0.1 -98,-0.1 0.713 82.6 35.5 -71.5 -19.9 -2.3 11.0 39.8 163 168 A L T 3 S+ 0 0 15 -3,-0.4 -1,-0.2 -23,-0.3 -2,-0.1 0.212 89.8 130.8-115.2 11.7 0.8 10.5 42.0 164 169 A A < - 0 0 0 -3,-0.8 2,-0.3 -104,-0.1 -24,-0.2 -0.372 33.9-172.6 -70.5 145.7 0.6 6.7 42.3 165 170 A R E -J 139 0D 60 -26,-2.0 -26,-3.6 -2,-0.1 2,-0.5 -0.932 33.1-102.2-136.0 158.6 3.7 4.6 41.7 166 171 A V E -J 138 0D 30 -2,-0.3 -28,-0.3 -28,-0.2 -29,-0.1 -0.708 59.4 -97.4 -79.0 125.2 4.6 0.9 41.4 167 172 A A + 0 0 11 -30,-2.1 32,-0.2 -2,-0.5 -1,-0.1 -0.031 47.5 173.2 -43.9 144.6 6.2 0.0 44.7 168 173 A D > + 0 0 53 30,-2.4 3,-0.7 -3,-0.1 30,-0.2 -0.380 6.8 168.4-158.3 70.0 10.0 0.1 44.7 169 174 A P G > S+ 0 0 77 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.712 75.3 58.7 -57.9 -28.2 11.4 -0.4 48.3 170 175 A D G 3 S+ 0 0 141 1,-0.2 3,-0.4 2,-0.1 29,-0.1 0.836 107.7 44.5 -74.0 -34.9 15.0 -0.9 47.1 171 176 A H G < S+ 0 0 119 -3,-0.7 -1,-0.2 1,-0.2 -3,-0.0 -0.202 84.6 105.8-103.1 41.1 15.3 2.5 45.4 172 177 A D < + 0 0 21 -3,-0.8 24,-2.9 26,-0.1 25,-0.3 0.651 49.3 98.5 -95.3 -18.1 13.6 4.4 48.2 173 178 A H B +K 195 0E 109 -3,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.481 42.0 151.9 -77.6 142.6 16.6 6.2 49.8 174 179 A T - 0 0 29 20,-2.1 76,-0.1 -2,-0.2 3,-0.1 -0.888 43.4 -69.9-152.2 178.2 17.4 9.8 49.0 175 180 A G > - 0 0 31 -2,-0.3 3,-0.7 1,-0.1 2,-0.3 -0.145 55.7 -84.6 -74.5 172.6 19.1 12.8 50.5 176 181 A F T 3 S+ 0 0 43 1,-0.2 17,-0.2 18,-0.1 -1,-0.1 -0.588 113.1 20.7 -78.6 133.7 17.9 15.0 53.4 177 182 A L T 3 S+ 0 0 85 15,-1.0 2,-0.5 -2,-0.3 -1,-0.2 0.875 84.2 170.4 73.9 39.0 15.5 17.8 52.5 178 183 A T < - 0 0 33 -3,-0.7 -1,-0.2 13,-0.3 17,-0.1 -0.723 37.5-107.7 -85.8 126.7 14.5 16.1 49.2 179 184 A E - 0 0 168 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.166 37.2-170.5 -55.5 140.8 11.5 17.7 47.5 180 185 A Y - 0 0 35 2,-0.1 4,-0.1 1,-0.1 17,-0.0 -0.972 21.6-157.9-134.8 151.5 8.2 16.0 47.5 181 186 A V + 0 0 111 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.601 59.1 104.1-104.7 -13.2 4.9 16.6 45.6 182 187 A A S S- 0 0 4 1,-0.2 -40,-0.1 2,-0.1 5,-0.1 -0.300 91.6 -73.8 -70.1 154.5 2.3 14.9 47.8 183 188 A T > - 0 0 42 1,-0.1 3,-1.3 3,-0.1 -1,-0.2 -0.259 47.1-133.1 -51.9 121.1 0.1 16.9 50.1 184 189 A R G > S+ 0 0 91 1,-0.2 3,-2.0 2,-0.2 -1,-0.1 0.824 93.9 57.9 -42.4 -58.3 2.2 18.1 53.0 185 190 A W G 3 S+ 0 0 89 1,-0.3 36,-0.3 38,-0.1 -1,-0.2 0.662 109.9 44.1 -54.8 -23.4 0.1 17.3 56.1 186 191 A Y G < S+ 0 0 13 -3,-1.3 2,-0.3 34,-0.1 -1,-0.3 0.203 84.3 122.4-109.8 16.2 -0.2 13.6 55.3 187 192 A R < - 0 0 27 -3,-2.0 5,-0.1 -4,-0.1 16,-0.1 -0.608 65.0-117.8 -81.2 134.4 3.5 13.0 54.4 188 193 A A > - 0 0 1 -2,-0.3 3,-1.6 14,-0.2 4,-0.5 -0.331 25.2-113.5 -68.2 153.8 5.4 10.4 56.5 189 194 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.837 112.7 63.3 -57.2 -36.1 8.3 11.7 58.5 190 195 A E G 3>>S+ 0 0 9 1,-0.3 5,-3.7 99,-0.2 4,-2.9 0.668 89.3 69.8 -65.6 -15.5 10.9 9.8 56.4 191 196 A I G <45S+ 0 0 3 -3,-1.6 -13,-0.3 1,-0.2 -1,-0.3 0.838 103.9 41.2 -70.9 -31.1 9.9 11.8 53.3 192 197 A M T <45S+ 0 0 0 -3,-1.2 -15,-1.0 -4,-0.5 -1,-0.2 0.473 125.5 40.6 -90.9 -3.6 11.5 14.9 54.8 193 198 A L T 45S- 0 0 2 -4,-0.4 -2,-0.2 -3,-0.2 60,-0.2 0.841 133.9 -39.4-109.4 -55.9 14.4 12.7 56.0 194 199 A N T <5S+ 0 0 27 -4,-2.9 -20,-2.1 -18,-0.1 2,-0.4 0.375 92.8 108.7-160.1 3.6 15.5 10.0 53.5 195 200 A S B < -K 173 0E 3 -5,-3.7 -22,-0.2 -22,-0.2 -17,-0.1 -0.773 46.6-159.7-104.1 141.5 12.7 8.4 51.7 196 201 A K - 0 0 74 -24,-2.9 -23,-0.1 -2,-0.4 -1,-0.1 0.468 53.4-114.5 -85.1 -4.3 11.6 8.7 48.0 197 202 A G S S+ 0 0 0 -25,-0.3 -25,-0.1 -7,-0.1 -24,-0.1 0.819 78.5 130.9 73.9 32.0 8.2 7.4 49.2 198 203 A Y + 0 0 54 -30,-0.2 -30,-2.4 -26,-0.1 2,-0.4 0.049 47.7 91.5-101.7 20.6 8.5 4.2 47.2 199 204 A T S > S- 0 0 35 -32,-0.2 3,-2.1 -31,-0.1 4,-0.3 -0.946 79.3-127.1-120.7 141.4 7.5 2.1 50.2 200 205 A K T >> S+ 0 0 73 -2,-0.4 3,-1.6 1,-0.3 4,-0.9 0.781 103.2 72.5 -52.1 -34.4 4.1 0.9 51.2 201 206 A S H 3> S+ 0 0 17 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.673 83.3 71.5 -57.7 -19.0 4.5 2.2 54.7 202 207 A I H <> S+ 0 0 5 -3,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.835 97.8 47.5 -67.6 -33.7 4.1 5.7 53.3 203 208 A D H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.809 106.0 57.6 -76.8 -33.2 0.4 5.2 52.6 204 209 A I H X S+ 0 0 3 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.882 103.7 53.6 -64.7 -38.7 -0.2 3.7 56.1 205 210 A W H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.915 107.9 50.2 -62.4 -42.5 1.1 6.9 57.7 206 211 A S H X S+ 0 0 7 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.926 108.9 51.7 -61.7 -43.6 -1.4 9.0 55.6 207 212 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.854 106.5 54.9 -61.1 -34.6 -4.2 6.7 56.7 208 213 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.879 107.3 49.9 -65.5 -37.7 -3.1 7.3 60.3 209 214 A C H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 11,-0.4 0.883 109.1 51.1 -66.9 -40.4 -3.4 11.1 59.7 210 215 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.886 109.0 52.6 -65.5 -37.1 -6.8 10.6 58.3 211 216 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.952 109.4 46.6 -62.8 -50.6 -7.8 8.6 61.3 212 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 6,-0.3 0.906 112.7 52.8 -57.1 -40.6 -6.6 11.3 63.7 213 218 A E H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.848 106.4 50.7 -63.4 -37.9 -8.5 13.8 61.6 214 219 A M H < S+ 0 0 1 -4,-2.1 -100,-0.5 1,-0.2 -1,-0.2 0.803 108.7 55.1 -69.8 -28.9 -11.7 11.8 61.7 215 220 A L H < S+ 0 0 17 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.782 128.0 14.2 -73.9 -31.4 -11.4 11.7 65.5 216 221 A S H < S- 0 0 51 -4,-1.3 -2,-0.2 2,-0.2 -3,-0.2 0.441 91.2-125.4-126.0 -2.6 -11.1 15.5 65.9 217 222 A N S < S+ 0 0 51 -4,-2.7 -3,-0.1 -5,-0.2 -4,-0.1 0.469 83.8 96.4 69.4 0.7 -12.2 17.0 62.6 218 223 A R S S- 0 0 140 -6,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 -0.935 87.4-100.8-122.9 143.5 -8.9 18.8 62.5 219 224 A P - 0 0 15 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 -0.441 28.3-147.3 -62.9 129.8 -5.6 17.9 60.7 220 225 A I S S+ 0 0 20 -11,-0.4 -34,-0.1 1,-0.2 -10,-0.0 0.851 89.6 27.5 -68.8 -38.6 -3.2 16.4 63.2 221 226 A F S S+ 0 0 1 -36,-0.3 2,-2.1 2,-0.1 -1,-0.2 -0.561 71.0 173.8-124.6 69.5 0.1 17.6 61.7 222 227 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -37,-0.0 -0.443 15.4-172.3 -78.0 74.3 -0.8 20.8 59.9 223 228 A G - 0 0 1 -2,-2.1 -38,-0.1 1,-0.1 6,-0.1 -0.441 22.3-149.4 -71.0 138.6 2.7 21.9 58.9 224 229 A K S S- 0 0 156 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.850 76.5 -7.1 -73.2 -38.3 3.2 25.3 57.3 225 230 A H S >> S- 0 0 107 1,-0.1 4,-2.2 -41,-0.1 3,-0.9 -0.911 93.7 -65.7-150.4 175.5 6.2 24.3 55.2 226 231 A Y H >> S+ 0 0 50 -2,-0.3 4,-0.9 1,-0.3 3,-0.5 0.828 127.9 29.1 -30.9 -75.6 8.6 21.4 54.6 227 232 A L H 3> S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.685 112.9 66.0 -69.3 -16.8 10.5 21.3 57.9 228 233 A D H <> S+ 0 0 35 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.910 94.5 59.8 -67.8 -41.3 7.5 22.6 59.9 229 234 A Q H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-0.9 0.917 114.5 48.0 -64.5 -46.0 5.1 15.2 64.1 234 239 A L H 3X S+ 0 0 13 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.758 101.0 67.6 -68.2 -24.9 7.9 15.2 66.6 235 240 A G H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.837 115.3 25.8 -65.1 -31.0 5.8 17.5 68.8 236 241 A I H << S+ 0 0 24 -3,-0.9 30,-2.9 -4,-0.8 -2,-0.2 0.827 129.0 39.9-100.8 -41.1 3.3 14.7 69.4 237 242 A L H < S- 0 0 7 -4,-2.8 -3,-0.2 28,-0.2 28,-0.2 0.808 102.9-143.9 -78.2 -28.4 5.4 11.5 68.9 238 243 A G < - 0 0 4 -4,-1.4 26,-0.2 -5,-0.4 -1,-0.1 -0.184 43.5 -20.8 88.2 173.1 8.3 13.0 70.7 239 244 A S S S- 0 0 47 24,-2.7 26,-0.1 1,-0.1 23,-0.1 -0.193 75.4-106.2 -56.8 136.4 12.0 12.6 70.0 240 245 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.355 37.9-110.7 -63.7 146.2 12.9 9.5 68.0 241 246 A S > - 0 0 51 1,-0.1 4,-1.1 -2,-0.0 5,-0.1 -0.051 26.2-106.0 -68.3 173.9 14.6 6.6 69.9 242 247 A Q H >> S+ 0 0 128 2,-0.2 4,-3.5 3,-0.2 3,-0.7 0.961 122.4 53.5 -66.5 -48.7 18.2 5.6 69.4 243 248 A E H 3> S+ 0 0 124 1,-0.3 4,-1.0 2,-0.2 3,-0.2 0.955 109.1 45.4 -47.2 -65.5 17.0 2.6 67.6 244 249 A D H 3> S+ 0 0 20 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.720 116.7 47.6 -55.5 -22.1 14.9 4.6 65.1 245 250 A L H << S+ 0 0 12 -4,-1.1 3,-0.4 -3,-0.7 -1,-0.2 0.861 102.8 60.1 -84.9 -40.6 17.8 7.0 64.6 246 251 A N H < S+ 0 0 85 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.677 103.2 56.4 -59.0 -17.4 20.3 4.2 64.2 247 252 A C H < S+ 0 0 48 -4,-1.0 2,-0.7 -5,-0.2 -1,-0.2 0.875 88.6 79.2 -81.2 -42.8 18.2 3.3 61.2 248 253 A I < + 0 0 6 -4,-0.8 -1,-0.0 -3,-0.4 -54,-0.0 -0.573 55.6 169.8 -67.5 111.3 18.4 6.7 59.5 249 254 A I + 0 0 112 -2,-0.7 -1,-0.2 5,-0.0 2,-0.2 0.789 42.1 107.5 -95.6 -33.8 21.9 6.4 57.9 250 255 A N > - 0 0 24 1,-0.2 4,-2.2 -3,-0.1 3,-0.2 -0.281 68.1-147.7 -47.7 105.1 21.7 9.6 55.9 251 256 A L H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 90.6 52.6 -48.2 -46.2 24.2 11.4 58.1 252 257 A K H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 108.9 48.5 -60.8 -46.3 22.5 14.8 57.5 253 258 A A H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.944 113.8 47.0 -60.6 -48.5 19.1 13.7 58.5 254 259 A R H X S+ 0 0 50 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 111.1 50.6 -60.5 -44.5 20.3 12.0 61.6 255 260 A N H X S+ 0 0 92 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.821 107.9 54.1 -63.6 -32.0 22.4 15.0 62.7 256 261 A Y H X S+ 0 0 44 -4,-1.8 4,-0.7 2,-0.2 3,-0.4 0.955 109.3 47.4 -65.5 -49.9 19.4 17.3 62.2 257 262 A L H >< S+ 0 0 11 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.897 111.3 51.3 -57.1 -43.2 17.3 15.1 64.5 258 263 A L H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.787 102.7 59.8 -66.3 -28.7 20.1 15.1 67.1 259 264 A S H 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.654 88.6 96.6 -72.7 -17.6 20.5 18.9 67.0 260 265 A L S << S- 0 0 39 -3,-1.0 3,-0.1 -4,-0.7 -3,-0.0 -0.472 84.3-105.5 -77.2 142.5 16.8 19.2 68.1 261 266 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.220 48.4 -89.7 -62.7 158.0 15.8 19.8 71.7 262 267 A H - 0 0 135 -23,-0.1 2,-0.4 -24,-0.1 -4,-0.0 -0.500 45.1-168.8 -72.2 135.0 14.3 16.8 73.5 263 268 A K - 0 0 122 -2,-0.2 -24,-2.7 -3,-0.1 2,-0.1 -0.990 13.0-136.3-127.5 131.1 10.6 16.5 73.2 264 269 A N - 0 0 116 -2,-0.4 -26,-0.2 -26,-0.2 2,-0.1 -0.436 30.6 -97.7 -81.7 158.3 8.4 14.1 75.2 265 270 A K - 0 0 118 -28,-0.2 -28,-0.2 -2,-0.1 -29,-0.1 -0.477 29.3-137.1 -75.9 145.8 5.6 12.1 73.7 266 271 A V - 0 0 28 -30,-2.9 5,-0.1 -2,-0.1 -1,-0.0 -0.914 26.6-117.3-103.1 123.3 2.0 13.4 74.0 267 272 A P >> - 0 0 51 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.303 11.4-137.3 -60.9 142.6 -0.5 10.7 74.9 268 273 A W H 3> S+ 0 0 24 1,-0.2 4,-3.6 2,-0.2 3,-0.2 0.921 104.1 60.4 -65.9 -44.7 -3.2 10.1 72.4 269 274 A N H 34 S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.2 6,-0.1 0.654 107.0 50.5 -59.2 -11.7 -5.9 9.8 75.0 270 275 A R H <4 S+ 0 0 167 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.822 111.8 44.5 -90.8 -41.5 -4.9 13.4 75.8 271 276 A L H < S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.899 131.3 24.0 -68.7 -40.5 -5.1 14.5 72.2 272 277 A F >< + 0 0 6 -4,-3.6 3,-0.9 1,-0.1 -1,-0.3 -0.708 65.6 168.1-129.1 80.6 -8.4 12.7 71.8 273 278 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 82.4 51.3 -67.1 -15.9 -10.2 12.2 75.1 274 279 A N T 3 S+ 0 0 131 -59,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.609 89.6 113.8 -93.7 -15.4 -13.5 11.2 73.4 275 280 A A S < S- 0 0 20 -3,-0.9 2,-0.4 -7,-0.1 -3,-0.0 -0.060 74.9-107.3 -59.3 155.2 -11.7 8.6 71.2 276 281 A D > - 0 0 49 1,-0.1 4,-2.3 -160,-0.0 5,-0.3 -0.707 25.3-130.8 -84.6 131.3 -12.2 4.8 71.5 277 282 A S H > S+ 0 0 97 -2,-0.4 4,-1.1 1,-0.2 -1,-0.1 0.802 107.3 51.3 -52.4 -36.5 -9.2 3.1 73.1 278 283 A K H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.913 109.6 51.4 -70.1 -39.1 -8.9 0.5 70.3 279 284 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 1,-0.2 3,-0.2 0.932 109.4 48.8 -60.2 -49.1 -8.9 3.2 67.7 280 285 A L H X S+ 0 0 16 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.757 108.4 55.5 -65.0 -23.8 -6.2 5.1 69.5 281 286 A D H X S+ 0 0 69 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.867 111.1 42.8 -76.4 -36.2 -4.2 1.9 69.7 282 287 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.2 -2,-0.2 0.851 111.6 55.5 -75.0 -36.8 -4.4 1.4 65.9 283 288 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 3,-0.3 0.904 106.2 52.3 -59.5 -43.6 -3.7 5.1 65.3 284 289 A D H < S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 109.1 48.3 -59.0 -46.0 -0.5 4.7 67.4 285 290 A K H < S+ 0 0 77 -4,-1.4 10,-2.3 1,-0.2 3,-0.4 0.706 114.6 46.8 -69.5 -22.2 0.6 1.8 65.3 286 291 A M H < S+ 0 0 0 -4,-1.3 2,-1.1 -3,-0.3 -2,-0.2 0.849 109.2 52.7 -86.6 -40.6 -0.1 3.7 62.1 287 292 A L S < S+ 0 0 2 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.397 79.2 144.9 -93.0 57.5 1.6 6.9 63.2 288 293 A T - 0 0 28 -2,-1.1 6,-0.1 -3,-0.4 -3,-0.1 -0.825 49.1-140.6 -96.3 131.1 4.8 5.1 64.1 289 294 A F S S+ 0 0 21 -2,-0.4 -99,-0.2 4,-0.1 -1,-0.1 0.926 87.3 67.1 -56.8 -50.3 8.0 7.1 63.4 290 295 A N S > S- 0 0 10 1,-0.2 3,-1.0 -3,-0.1 4,-0.4 -0.659 73.3-152.3 -78.2 118.4 10.1 4.1 62.1 291 296 A P G > S+ 0 0 28 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.818 95.7 57.2 -59.4 -32.9 8.6 2.9 58.7 292 297 A H G 3 S+ 0 0 147 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.759 110.3 43.6 -71.1 -24.6 9.8 -0.6 59.4 293 298 A K G < S+ 0 0 91 -3,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.367 89.0 112.7-101.0 2.8 7.9 -0.7 62.7 294 299 A R S < S- 0 0 8 -3,-0.7 -8,-0.2 -4,-0.4 -9,-0.1 -0.573 78.1-102.9 -76.8 137.2 4.8 0.8 61.2 295 300 A I - 0 0 19 -10,-2.3 2,-0.2 -2,-0.3 -1,-0.1 -0.186 35.6-123.5 -57.1 151.2 1.8 -1.5 61.1 296 301 A E > - 0 0 115 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.561 23.4-106.3 -94.7 163.5 0.9 -3.0 57.6 297 302 A V H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -166,-0.1 0.885 120.2 46.3 -58.1 -42.0 -2.5 -2.7 55.9 298 303 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.831 112.6 50.0 -69.7 -33.9 -3.5 -6.3 56.6 299 304 A Q H 4 S+ 0 0 111 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 109.9 53.1 -70.8 -34.0 -2.4 -6.1 60.2 300 305 A A H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 6,-0.3 0.918 107.4 49.7 -67.1 -44.2 -4.4 -2.9 60.4 301 306 A L H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.891 109.7 52.0 -62.0 -38.4 -7.5 -4.7 59.1 302 307 A A T 3< S+ 0 0 48 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.384 84.7 119.3 -80.6 4.9 -7.0 -7.5 61.6 303 308 A H S X S- 0 0 15 -3,-1.5 3,-2.2 1,-0.1 7,-0.2 -0.444 77.1-115.5 -72.7 144.4 -6.8 -5.0 64.5 304 309 A P G > S+ 0 0 59 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.723 112.0 67.6 -50.3 -27.2 -9.5 -5.3 67.3 305 310 A Y G 3 S+ 0 0 13 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.842 105.8 40.9 -64.9 -29.9 -10.8 -1.9 66.5 306 311 A L G X> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 3,-2.3 0.192 80.8 121.1-102.9 16.0 -12.1 -3.3 63.1 307 312 A E T <4 + 0 0 133 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.820 67.8 56.4 -46.9 -44.4 -13.3 -6.5 64.6 308 313 A Q T 34 S+ 0 0 136 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.568 118.8 31.6 -73.4 -3.6 -16.9 -6.1 63.5 309 314 A Y T <4 S+ 0 0 61 -3,-2.3 -2,-0.2 -8,-0.2 -1,-0.2 0.640 84.3 119.9-119.6 -30.0 -15.9 -5.8 59.9 310 315 A Y < + 0 0 91 -4,-2.6 -8,-0.1 -9,-0.2 5,-0.0 -0.109 23.3 147.4 -47.7 124.3 -12.8 -7.9 59.5 311 316 A D > - 0 0 70 1,-0.1 3,-1.9 3,-0.0 -1,-0.1 -0.631 26.7-168.8-162.1 92.0 -13.3 -10.6 56.9 312 317 A P G > S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.808 91.2 57.7 -54.6 -35.2 -10.2 -11.6 54.9 313 318 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.701 109.7 47.5 -70.7 -16.7 -12.3 -13.7 52.5 314 319 A D G < S+ 0 0 79 -3,-1.9 -1,-0.3 1,-0.2 -3,-0.0 0.044 95.5 78.3-109.9 23.6 -14.2 -10.5 51.8 315 320 A E S < S- 0 0 3 -3,-1.4 -1,-0.2 -184,-0.0 -186,-0.0 -0.731 76.1-155.2-134.2 81.1 -11.2 -8.3 51.3 316 321 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -181,-0.1 -0.078 5.5-150.4 -59.5 152.0 -10.0 -9.0 47.8 317 322 A I - 0 0 95 -182,-0.1 -185,-0.1 1,-0.1 -184,-0.1 -0.815 36.2 -78.6-120.0 161.3 -6.5 -8.6 46.3 318 323 A A - 0 0 11 -186,-0.5 -247,-0.1 -2,-0.3 -1,-0.1 -0.309 24.8-150.8 -64.8 141.6 -5.4 -7.8 42.8 319 324 A E S S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.0 -183,-0.0 0.868 92.4 31.8 -77.5 -40.1 -5.4 -10.6 40.2 320 325 A A S S- 0 0 45 -250,-0.1 -1,-0.3 -3,-0.0 -184,-0.1 -0.857 83.5-142.9-126.2 94.7 -2.6 -8.9 38.3 321 326 A P - 0 0 73 0, 0.0 -184,-0.2 0, 0.0 -185,-0.2 -0.220 38.5 -93.2 -51.8 145.3 -0.0 -6.9 40.3 322 327 A F + 0 0 2 -186,-3.7 2,-0.3 2,-0.0 -155,-0.0 -0.267 38.9 177.9 -74.8 150.0 1.1 -3.8 38.4 323 328 A K - 0 0 138 -2,-0.1 2,-1.1 -157,-0.0 3,-0.1 -0.918 17.1-152.4-148.4 113.4 4.1 -3.2 36.1 324 329 A F > - 0 0 7 -2,-0.3 3,-2.0 1,-0.2 -158,-0.1 -0.742 7.9-170.7 -95.1 92.5 4.7 0.1 34.4 325 330 A D T 3 S+ 0 0 119 -2,-1.1 -1,-0.2 1,-0.3 0, 0.0 0.817 87.6 48.5 -46.9 -42.4 6.6 -0.7 31.2 326 331 A M T 3 S+ 0 0 14 -3,-0.1 3,-0.5 3,-0.0 4,-0.3 -0.031 86.0 159.6 -93.8 33.3 7.2 3.0 30.5 327 332 A E < + 0 0 110 -3,-2.0 3,-0.2 1,-0.2 -2,-0.0 -0.257 47.2 41.5 -57.8 138.3 8.4 3.5 34.0 328 333 A L S S- 0 0 127 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.643 103.4 -99.7 98.2 24.0 10.6 6.6 34.7 329 334 A D S S+ 0 0 70 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.682 78.3 133.3 39.4 37.0 9.0 9.4 32.7 330 335 A D + 0 0 146 -4,-0.3 -1,-0.2 -3,-0.2 -3,-0.1 -0.001 38.0 108.5-103.1 34.0 11.5 9.3 29.8 331 336 A L - 0 0 49 -5,-0.2 -272,-0.1 -276,-0.1 -3,-0.0 -0.905 68.0-121.1-114.2 132.7 8.8 9.4 27.0 332 337 A P > - 0 0 62 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.340 30.8-111.0 -66.9 150.2 8.1 12.3 24.6 333 338 A K H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.735 116.7 62.6 -52.1 -23.7 4.5 13.7 24.7 334 339 A E H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.991 105.8 41.0 -65.3 -60.5 4.1 12.3 21.2 335 340 A K H > S+ 0 0 112 -3,-0.3 4,-1.8 1,-0.3 -2,-0.2 0.845 113.9 55.6 -55.7 -37.9 4.6 8.7 22.2 336 341 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.873 103.1 54.4 -65.6 -37.1 2.5 9.4 25.3 337 342 A K H X S+ 0 0 46 -4,-1.9 4,-2.2 -3,-0.5 -1,-0.2 0.873 107.5 50.6 -64.7 -36.9 -0.4 10.6 23.2 338 343 A E H X S+ 0 0 82 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.882 110.8 49.1 -66.9 -39.3 -0.4 7.4 21.2 339 344 A L H X S+ 0 0 47 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.872 112.6 46.5 -67.3 -39.3 -0.5 5.3 24.4 340 345 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.895 113.3 49.7 -69.4 -40.0 -3.3 7.3 25.8 341 346 A F H < S+ 0 0 44 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.951 115.7 44.0 -60.9 -47.9 -5.2 7.0 22.5 342 347 A E H >< S+ 0 0 127 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.855 111.8 52.5 -65.8 -38.3 -4.5 3.3 22.6 343 348 A E H 3< S+ 0 0 48 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.801 112.5 44.5 -69.9 -29.4 -5.4 2.9 26.3 344 349 A T T >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.416 85.6 97.4 -95.1 -0.3 -8.8 4.6 25.8 345 350 A A G X + 0 0 45 -3,-0.6 3,-2.0 -4,-0.4 -1,-0.2 0.770 67.3 71.4 -59.3 -32.7 -9.7 2.8 22.6 346 351 A R G 3 S+ 0 0 147 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.707 95.7 52.7 -60.6 -22.3 -11.8 0.2 24.3 347 352 A F G < S+ 0 0 44 -3,-1.4 -1,-0.3 -265,-0.1 -2,-0.2 0.403 82.5 120.9 -94.5 2.4 -14.5 2.7 25.0 348 353 A Q < - 0 0 47 -3,-2.0 -265,-0.1 1,-0.1 -263,-0.0 -0.497 60.0-146.5 -73.0 127.7 -14.7 3.8 21.4 349 354 A P 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.526 360.0 360.0 -69.1 -3.4 -18.1 3.3 19.7 350 355 A G 0 0 111 -5,-0.2 -5,-0.0 -264,-0.0 0, 0.0 0.710 360.0 360.0 -82.2 360.0 -16.2 2.5 16.5