==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-07 3BPT . COMPND 2 MOLECULE: 3-HYDROXYISOBUTYRYL-COA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,C.PHILLIPS,O.N.F.KING,K.GUO,F.VON DELFT,A.C.W.PIKE . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 0 2 3 1 2 1 0 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 . 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 32 A T 0 0 194 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 127.9 39.8 0.4 -17.8 2 33 A D - 0 0 152 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.417 360.0 -74.6 -74.7 158.5 37.6 2.4 -15.4 3 34 A A - 0 0 96 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.267 59.8-102.4 -53.2 141.6 38.9 3.4 -12.0 4 35 A A - 0 0 84 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.368 30.8-124.3 -71.1 140.2 38.9 0.5 -9.6 5 36 A E - 0 0 99 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.499 20.3-117.8 -77.4 160.0 36.1 0.1 -6.9 6 37 A E S S+ 0 0 67 -2,-0.2 15,-2.7 1,-0.2 2,-0.3 0.667 103.5 24.6 -75.5 -19.5 37.0 -0.1 -3.2 7 38 A V E S-A 20 0A 1 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.979 77.6-143.0-141.8 136.4 35.4 -3.6 -3.2 8 39 A L E -A 19 0A 73 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.843 10.9-164.1 -99.2 140.6 34.9 -6.0 -6.1 9 40 A L E +A 18 0A 59 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.996 19.2 163.3-123.5 127.7 31.8 -8.1 -6.4 10 41 A G E -A 17 0A 30 7,-2.3 7,-3.0 -2,-0.4 2,-0.5 -0.954 34.4-138.3-142.1 161.5 31.8 -11.1 -8.8 11 42 A K E +A 16 0A 87 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.985 24.4 173.4-121.2 118.3 30.0 -14.2 -9.6 12 43 A K E > -A 15 0A 54 3,-2.7 3,-2.1 -2,-0.5 2,-0.3 -0.967 61.6 -52.3-129.2 110.9 32.2 -17.2 -10.5 13 44 A G T 3 S- 0 0 63 -2,-0.5 187,-0.1 1,-0.3 189,-0.1 -0.455 122.7 -16.3 65.8-120.6 30.4 -20.5 -11.0 14 45 A C T 3 S+ 0 0 15 185,-0.7 37,-3.3 187,-0.5 38,-1.1 0.309 123.0 91.0 -93.3 5.4 28.2 -21.3 -8.0 15 46 A T E < -Ab 12 52A 0 -3,-2.1 -3,-2.7 184,-0.2 2,-0.5 -0.853 62.0-148.4-117.9 140.0 30.0 -18.7 -5.9 16 47 A G E -Ab 11 53A 0 36,-2.8 38,-2.7 -2,-0.4 2,-0.5 -0.871 25.1-156.8 -96.5 130.6 29.7 -15.0 -5.1 17 48 A V E -Ab 10 54A 12 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.6 -0.943 11.9-166.7-118.1 123.3 33.1 -13.4 -4.4 18 49 A I E -Ab 9 55A 0 36,-3.1 38,-2.3 -2,-0.5 2,-0.6 -0.941 7.8-170.6-103.0 120.1 33.7 -10.3 -2.4 19 50 A T E -Ab 8 56A 24 -11,-2.5 -11,-2.7 -2,-0.6 2,-0.2 -0.931 18.6-141.7-115.0 104.8 37.3 -8.9 -2.9 20 51 A L E -Ab 7 57A 0 36,-2.9 38,-2.6 -2,-0.6 -13,-0.2 -0.543 24.6-167.9 -61.8 128.3 38.1 -6.1 -0.4 21 52 A N + 0 0 38 -15,-2.7 -14,-0.1 -2,-0.2 -1,-0.1 -0.303 52.8 92.8-136.2 51.9 40.1 -3.8 -2.8 22 53 A R > > + 0 0 33 36,-0.1 5,-2.6 1,-0.1 3,-2.2 -0.433 39.4 158.6-125.7 58.5 42.1 -1.0 -1.0 23 54 A P G > 5 + 0 0 57 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.835 68.6 61.0 -61.0 -30.5 45.4 -2.8 -0.6 24 55 A K G 3 5S+ 0 0 193 1,-0.3 -2,-0.0 2,-0.1 35,-0.0 0.755 112.7 40.0 -63.5 -20.7 47.4 0.4 -0.2 25 56 A F G X 5S- 0 0 136 -3,-2.2 3,-1.9 3,-0.1 -1,-0.3 -0.099 125.5-103.5-113.4 30.0 45.2 1.1 2.9 26 57 A L T < 5 - 0 0 69 -3,-2.1 39,-2.3 1,-0.3 40,-0.3 0.821 67.1 -70.5 52.5 35.2 45.3 -2.5 4.0 27 58 A N T 3 - 0 0 17 -2,-0.4 4,-2.7 37,-0.2 5,-0.2 -0.604 38.9-110.6-105.8 163.7 34.6 2.2 4.3 31 62 A L H > S+ 0 0 39 2,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.926 119.5 56.7 -59.7 -42.2 31.0 3.1 4.2 32 63 A N H > S+ 0 0 79 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.944 109.3 45.4 -53.7 -47.0 31.1 2.9 0.4 33 64 A X H >> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 3,-0.9 0.916 111.9 51.4 -65.8 -47.4 32.3 -0.7 0.6 34 65 A I H 3X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.937 108.0 52.7 -53.3 -46.7 29.7 -1.6 3.3 35 66 A R H 3< S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.649 113.9 42.7 -70.0 -17.9 26.9 -0.2 1.1 36 67 A Q H S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.867 114.7 54.3 -65.7 -29.2 22.9 -5.5 -0.4 40 71 A Q H X S+ 0 0 40 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.901 105.4 52.0 -67.7 -41.2 24.9 -8.1 -2.4 41 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.938 110.9 48.5 -60.4 -47.1 25.1 -10.5 0.5 42 73 A K H X S+ 0 0 67 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.905 111.1 49.7 -62.4 -41.2 21.3 -10.3 0.8 43 74 A K H X S+ 0 0 133 -4,-2.2 4,-0.6 1,-0.2 3,-0.5 0.936 110.1 50.7 -60.0 -47.0 20.8 -10.8 -2.9 44 75 A W H >< S+ 0 0 10 -4,-2.8 3,-0.9 1,-0.2 6,-0.3 0.868 103.6 59.4 -63.1 -35.5 23.1 -13.9 -2.9 45 76 A E H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.1 37.3 -57.9 -37.3 21.2 -15.4 0.1 46 77 A Q H 3< S+ 0 0 131 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.389 93.6 101.9 -94.7 0.7 18.0 -15.4 -2.2 47 78 A D X< - 0 0 49 -3,-0.9 3,-2.2 -4,-0.6 -4,-0.0 -0.793 57.0-159.9 -93.0 107.5 19.8 -16.3 -5.4 48 79 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.682 91.4 60.3 -63.4 -15.2 19.2 -20.0 -6.2 49 80 A E T 3 S+ 0 0 130 2,-0.0 2,-0.5 -3,-0.0 154,-0.1 0.413 91.6 78.9 -88.0 0.2 22.2 -19.9 -8.5 50 81 A T < + 0 0 1 -3,-2.2 -35,-0.2 -6,-0.3 -36,-0.1 -0.955 45.1 163.7-115.3 121.6 24.6 -18.9 -5.6 51 82 A F + 0 0 54 -37,-3.3 2,-0.3 -2,-0.5 -36,-0.2 0.479 65.2 26.4-111.3 -11.0 25.6 -21.7 -3.3 52 83 A L E -b 15 0A 0 -38,-1.1 -36,-2.8 50,-0.1 2,-0.4 -0.984 57.4-151.8-157.4 143.2 28.7 -20.1 -1.6 53 84 A I E -bc 16 104A 0 50,-2.3 52,-2.8 -2,-0.3 2,-0.4 -0.998 15.5-168.7-120.8 126.0 30.0 -16.6 -0.7 54 85 A I E -bc 17 105A 0 -38,-2.7 -36,-3.1 -2,-0.4 2,-0.4 -0.961 3.5-164.0-111.1 136.4 33.7 -16.1 -0.4 55 86 A I E +bc 18 106A 0 50,-2.5 52,-2.8 -2,-0.4 2,-0.3 -0.967 21.9 154.2-114.7 139.9 35.3 -13.0 1.1 56 87 A K E -b 19 0A 52 -38,-2.3 -36,-2.9 -2,-0.4 2,-0.4 -0.929 35.2-114.0-153.0 167.8 38.9 -12.2 0.5 57 88 A G E > -b 20 0A 16 50,-0.4 3,-0.5 -2,-0.3 2,-0.2 -0.914 24.7-122.6-114.8 143.8 41.4 -9.3 0.4 58 89 A A T 3 S+ 0 0 19 -38,-2.6 4,-0.4 -2,-0.4 3,-0.3 -0.520 83.5 31.0 -77.4 143.5 43.3 -8.0 -2.6 59 90 A G T 3 S- 0 0 69 -2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.244 94.2-105.4 104.3 -12.2 47.1 -7.8 -2.5 60 91 A G S < S+ 0 0 43 -3,-0.5 -1,-0.2 2,-0.3 3,-0.1 0.414 105.0 73.6 79.1 -5.2 48.5 -10.6 -0.3 61 92 A K S S+ 0 0 71 -3,-0.3 50,-2.4 1,-0.3 2,-0.4 0.746 99.0 29.4-103.2 -39.6 49.5 -8.6 2.8 62 93 A A E -g 111 0C 5 -4,-0.4 -1,-0.3 48,-0.3 -2,-0.3 -0.979 38.4-173.7-128.7 134.4 46.0 -7.8 4.3 63 94 A F E S- 0 0 0 48,-2.2 2,-0.2 -2,-0.4 -5,-0.2 0.900 90.8 -41.0 -74.5 -60.4 42.6 -9.4 4.4 64 95 A C E -g 112 0C 0 47,-2.0 49,-2.2 -7,-0.1 -37,-0.2 -0.775 47.5-156.2-169.4 123.5 41.4 -6.2 6.2 65 96 A A - 0 0 30 -39,-2.3 2,-0.3 -2,-0.2 47,-0.1 0.544 66.4 -68.4 -78.3 -11.4 43.2 -4.2 8.9 66 97 A G - 0 0 8 -40,-0.3 -37,-2.5 48,-0.2 -1,-0.2 -0.901 65.5 -47.9 152.3 174.3 40.0 -2.6 10.3 67 98 A G B S-f 29 0B 13 -2,-0.3 2,-2.0 -39,-0.2 3,-0.2 -0.535 71.8 -96.5 -66.9 157.7 37.1 -0.2 9.6 68 99 A D > + 0 0 21 -39,-2.8 4,-1.2 1,-0.2 3,-0.2 -0.518 58.5 162.2 -86.8 80.5 38.5 3.0 8.3 69 100 A I H > + 0 0 28 -2,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.740 65.0 68.6 -76.2 -23.9 38.5 4.8 11.7 70 101 A R H > S+ 0 0 109 2,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.963 104.1 43.0 -53.0 -54.9 40.9 7.6 10.3 71 102 A V H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.850 112.6 53.4 -64.0 -37.7 38.2 8.9 8.0 72 103 A I H X S+ 0 0 2 -4,-1.2 4,-1.4 2,-0.2 10,-0.3 0.943 110.4 46.7 -59.9 -46.8 35.6 8.6 10.8 73 104 A S H X S+ 0 0 10 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.931 111.6 51.3 -63.1 -43.4 37.8 10.6 13.1 74 105 A E H >< S+ 0 0 99 -4,-2.8 3,-1.4 1,-0.3 4,-0.4 0.915 107.5 52.9 -57.2 -49.5 38.5 13.2 10.4 75 106 A A H >< S+ 0 0 10 -4,-2.4 3,-1.0 1,-0.2 -1,-0.3 0.799 100.2 63.3 -58.1 -26.8 34.8 13.6 9.8 76 107 A E H 3< S+ 0 0 33 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.726 87.2 73.0 -69.0 -21.3 34.3 14.2 13.6 77 108 A K T << S+ 0 0 151 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.719 110.4 14.3 -66.6 -26.3 36.3 17.4 13.3 78 109 A A S < S- 0 0 55 -3,-1.0 3,-0.0 -4,-0.4 -3,-0.0 -0.439 98.8 -73.8-133.5-153.6 33.5 19.2 11.5 79 110 A K S S+ 0 0 200 1,-0.2 2,-1.5 -2,-0.2 -3,-0.1 0.624 101.3 82.1 -95.0 -12.9 29.8 18.9 10.7 80 111 A Q - 0 0 161 -5,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.603 69.6-173.2 -94.3 80.7 29.7 16.2 8.1 81 112 A K + 0 0 98 -2,-1.5 4,-0.1 1,-0.1 -5,-0.1 -0.389 23.4 179.6 -72.1 145.6 29.8 13.3 10.5 82 113 A I > + 0 0 47 -10,-0.3 4,-3.0 -2,-0.1 3,-0.4 0.599 63.2 84.8-113.6 -26.9 30.1 9.7 9.3 83 114 A A H > S+ 0 0 0 -11,-0.3 4,-1.9 1,-0.2 5,-0.5 0.834 84.5 54.8 -53.5 -43.1 30.2 7.8 12.6 84 115 A P H > S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.952 119.8 32.5 -60.0 -42.1 26.4 7.5 13.2 85 116 A V H > S+ 0 0 56 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.898 117.3 55.5 -78.5 -42.7 25.8 5.9 9.8 86 117 A F H X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.957 112.0 40.1 -57.9 -55.3 29.2 4.0 9.5 87 118 A F H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.888 116.3 52.1 -64.5 -40.5 28.9 2.1 12.8 88 119 A R H X S+ 0 0 64 -4,-1.2 4,-2.2 -5,-0.5 -2,-0.2 0.967 116.6 37.6 -58.6 -53.4 25.2 1.4 12.3 89 120 A E H X S+ 0 0 40 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.829 115.0 54.8 -72.1 -33.6 25.6 -0.0 8.8 90 121 A E H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.952 110.9 46.0 -60.4 -49.1 28.9 -1.8 9.7 91 122 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.880 108.3 55.8 -64.8 -35.0 27.2 -3.6 12.5 92 123 A X H X S+ 0 0 53 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.914 109.3 48.1 -59.8 -39.3 24.3 -4.5 10.3 93 124 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.920 107.8 53.7 -71.3 -37.0 26.8 -6.1 8.0 94 125 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 111.2 47.2 -61.0 -41.5 28.5 -8.0 10.8 95 126 A N H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.895 109.2 53.7 -63.7 -40.6 25.1 -9.4 11.8 96 127 A A H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.890 110.2 47.3 -62.4 -39.5 24.4 -10.3 8.2 97 128 A V H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.952 112.7 49.4 -64.2 -48.3 27.6 -12.3 8.0 98 129 A G H 3< S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.781 119.9 36.0 -64.2 -26.6 26.8 -14.0 11.3 99 130 A S T 3< S+ 0 0 59 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.148 84.3 155.6-109.3 17.7 23.3 -14.9 10.2 100 131 A C < - 0 0 23 -3,-1.4 4,-0.1 1,-0.2 -3,-0.1 -0.219 36.6-150.5 -59.1 130.8 24.2 -15.6 6.5 101 132 A Q S S+ 0 0 125 2,-0.1 -1,-0.2 -5,-0.1 -4,-0.1 0.290 78.6 53.4 -90.1 4.0 21.8 -18.0 4.9 102 133 A K S S- 0 0 37 104,-0.0 -50,-0.1 -49,-0.0 -51,-0.1 -0.946 107.8 -77.9-125.9 155.8 24.3 -19.4 2.5 103 134 A P - 0 0 19 0, 0.0 -50,-2.3 0, 0.0 2,-0.5 -0.341 49.9-159.9 -49.3 131.7 27.7 -20.9 3.2 104 135 A Y E -c 53 0A 2 -52,-0.2 21,-2.0 -4,-0.1 2,-0.5 -0.988 9.2-172.8-129.4 116.9 30.2 -18.1 3.9 105 136 A V E -cd 54 125A 0 -52,-2.8 -50,-2.5 -2,-0.5 2,-0.5 -0.977 6.1-162.6-115.7 121.7 33.9 -18.6 3.7 106 137 A A E -cd 55 126A 0 19,-2.6 21,-2.9 -2,-0.5 2,-1.1 -0.928 9.5-152.1-105.4 124.3 36.4 -15.9 4.7 107 138 A L E - d 0 127A 4 -52,-2.8 2,-1.9 -2,-0.5 -50,-0.4 -0.762 14.6-171.8 -92.9 85.3 39.9 -16.3 3.4 108 139 A I E + d 0 128A 1 19,-1.3 21,-0.8 -2,-1.1 2,-0.5 -0.430 22.2 153.4 -87.9 67.1 41.8 -14.5 6.2 109 140 A H - 0 0 30 -2,-1.9 -52,-0.1 19,-0.2 2,-0.1 -0.801 58.1 -0.4 -88.5 127.1 45.3 -14.5 4.6 110 141 A G S S+ 0 0 1 -2,-0.5 23,-1.7 -48,-0.2 -48,-0.3 -0.382 117.7 2.9 92.7-169.9 47.2 -11.6 6.0 111 142 A I E +gh 62 133C 35 -50,-2.4 -48,-2.2 21,-0.2 -47,-2.0 -0.364 59.2 175.0 -60.9 128.0 46.4 -8.9 8.5 112 143 A T E +gh 64 134C 1 21,-3.4 23,-1.0 -49,-0.2 2,-0.3 -0.891 17.9 149.4-139.9 93.8 42.9 -9.4 9.9 113 144 A X E > - h 0 135C 20 -49,-2.2 3,-2.9 -2,-0.4 23,-0.2 -0.963 53.2 -30.5-135.8 147.7 42.1 -6.9 12.7 114 145 A G T >> S+ 0 0 2 21,-1.5 4,-1.7 -2,-0.3 3,-0.9 -0.146 135.0 16.3 53.1-123.1 39.1 -5.0 14.1 115 146 A G H 3> S+ 0 0 3 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.787 125.4 61.8 -49.3 -33.6 36.5 -4.5 11.4 116 147 A G H <4 S+ 0 0 0 -3,-2.9 3,-0.4 2,-0.2 -1,-0.3 0.904 103.6 48.0 -61.3 -42.1 38.4 -7.1 9.4 117 148 A V H X>>S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.2 3,-1.7 0.905 105.7 59.6 -59.2 -40.2 37.6 -9.6 12.1 118 149 A G H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 104.9 49.8 -59.4 -29.9 33.9 -8.4 12.0 119 150 A L T 3<5S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.428 126.7 21.9 -86.1 -5.9 33.7 -9.4 8.3 120 151 A S T X45S+ 0 0 1 -3,-1.7 3,-2.2 -4,-0.2 -2,-0.2 0.672 106.0 63.2-126.2 -54.6 35.1 -12.9 9.0 121 152 A V T 3<5S+ 0 0 9 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.810 102.7 54.2 -60.0 -27.7 34.9 -14.4 12.5 122 153 A H T 3 - 0 0 0 -21,-0.8 3,-2.0 -2,-0.2 44,-0.2 -0.756 44.8 -88.9-120.7 179.4 47.3 -19.1 6.5 130 161 A E T 3 S+ 0 0 49 56,-0.3 45,-0.1 1,-0.3 57,-0.1 0.646 127.3 58.7 -59.6 -20.7 50.7 -18.7 8.1 131 162 A K T 3 S+ 0 0 63 41,-0.1 -1,-0.3 42,-0.1 2,-0.1 0.443 75.5 119.6 -89.8 -3.9 50.5 -15.0 7.1 132 163 A C < - 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0 0 10 -2,-0.3 3,-2.0 29,-0.2 4,-0.3 -0.440 33.3-121.5 -63.0 142.5 49.6 -23.0 3.9 188 219 A S G >> S+ 0 0 36 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.824 109.1 67.7 -59.2 -31.8 49.5 -19.9 1.7 189 220 A E G 34 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.724 106.7 41.7 -60.1 -21.4 51.2 -21.8 -1.2 190 221 A K G <> S+ 0 0 66 -3,-2.0 4,-2.1 2,-0.1 -1,-0.3 0.339 87.2 94.3-104.2 3.9 47.9 -23.8 -1.5 191 222 A L H <> S+ 0 0 27 -3,-1.6 4,-2.8 -4,-0.3 5,-0.2 0.931 82.2 54.1 -65.0 -44.2 45.4 -21.0 -1.0 192 223 A A H X S+ 0 0 76 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.908 110.8 47.1 -56.3 -42.7 44.9 -20.3 -4.7 193 224 A X H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 109.7 52.4 -67.0 -42.0 44.1 -24.0 -5.3 194 225 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.951 111.8 47.3 -57.1 -46.6 41.7 -24.0 -2.4 195 226 A E H X S+ 0 0 39 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.943 112.4 49.6 -60.5 -46.9 39.9 -21.0 -3.9 196 227 A E H X S+ 0 0 128 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.891 110.7 49.4 -59.6 -41.6 39.9 -22.6 -7.3 197 228 A D H X S+ 0 0 70 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.884 110.8 49.1 -71.9 -39.9 38.4 -25.8 -6.0 198 229 A L H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.963 112.7 48.1 -60.3 -52.3 35.6 -24.0 -4.0 199 230 A L H 3< S+ 0 0 33 -4,-2.8 -185,-0.7 1,-0.3 -184,-0.2 0.818 108.9 55.2 -56.9 -32.2 34.7 -21.9 -7.2 200 231 A A H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.554 81.7 115.2 -80.7 -10.7 34.7 -25.1 -9.3 201 232 A L << - 0 0 35 -3,-1.5 2,-0.6 -4,-0.6 -187,-0.5 -0.343 63.0-135.3 -61.7 141.1 32.1 -26.9 -7.0 202 233 A K S S- 0 0 126 1,-0.2 -1,-0.1 -189,-0.1 -2,-0.1 -0.908 73.2 -29.8-104.1 117.3 28.8 -27.6 -8.7 203 234 A S S S- 0 0 75 -2,-0.6 -1,-0.2 1,-0.2 -153,-0.1 0.854 88.5-162.4 45.2 49.4 25.7 -26.8 -6.6 204 235 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.289 13.2-142.4 -71.2 141.1 27.6 -27.5 -3.4 205 236 A S > - 0 0 43 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.465 36.9-100.7 -78.0 165.3 26.0 -28.2 -0.0 206 237 A K H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 127.2 55.8 -52.1 -39.5 27.5 -26.8 3.2 207 238 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 103.1 52.3 -63.1 -41.9 28.9 -30.3 3.7 208 239 A N H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 112.2 47.6 -58.4 -43.8 30.6 -30.3 0.3 209 240 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.954 110.0 50.6 -63.1 -47.1 32.2 -27.0 1.3 210 241 A A H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.856 106.9 56.2 -58.7 -37.3 33.3 -28.3 4.6 211 242 A S H X S+ 0 0 55 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.926 106.5 48.7 -61.4 -47.2 34.8 -31.4 3.0 212 243 A V H X S+ 0 0 20 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.959 113.4 47.2 -57.0 -47.6 37.1 -29.2 0.7 213 244 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 112.4 49.7 -63.2 -42.4 38.2 -27.1 3.7 214 245 A E H X S+ 0 0 112 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.895 107.4 54.2 -59.8 -44.5 38.9 -30.2 5.8 215 246 A N H X S+ 0 0 100 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.928 114.4 40.5 -64.0 -43.3 40.9 -31.9 3.0 216 247 A Y H X S+ 0 0 39 -4,-2.1 4,-0.9 2,-0.2 -29,-0.2 0.898 113.6 54.1 -66.2 -44.0 43.2 -28.8 2.7 217 248 A H H >< S+ 0 0 34 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.952 105.5 53.3 -57.9 -47.7 43.4 -28.3 6.4 218 249 A T H 3< S+ 0 0 86 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.6 43.4 -56.3 -38.5 44.5 -31.9 7.1 219 250 A E H 3< S+ 0 0 125 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.493 82.9 115.2 -91.1 -3.3 47.4 -31.7 4.6 220 251 A S << - 0 0 6 -3,-1.1 -34,-0.0 -4,-0.9 -35,-0.0 -0.405 43.8-170.4 -69.6 146.5 48.8 -28.2 5.6 221 252 A K > + 0 0 128 -2,-0.1 3,-1.9 2,-0.1 4,-0.2 0.715 43.8 109.9-111.5 -30.7 52.2 -28.5 7.0 222 253 A I T 3 S- 0 0 53 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 -0.375 107.1 -19.4 -68.1 124.5 53.3 -25.1 8.5 223 254 A D T > S+ 0 0 83 -2,-0.2 3,-1.8 1,-0.1 -1,-0.3 0.708 88.0 158.7 52.5 29.6 53.4 -25.4 12.3 224 255 A R T < S+ 0 0 88 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.761 76.0 24.7 -57.0 -34.4 51.1 -28.5 12.1 225 256 A D T 3 S+ 0 0 151 -4,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.109 92.7 123.3-119.4 17.9 52.1 -30.0 15.5 226 257 A K < - 0 0 70 -3,-1.8 2,-0.1 1,-0.1 3,-0.1 -0.602 62.4-118.6 -79.2 140.7 53.1 -26.7 17.2 227 258 A S - 0 0 87 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.406 38.6 -83.5 -76.5 159.6 51.2 -25.9 20.4 228 259 A F > - 0 0 14 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.382 36.4-128.6 -59.3 128.9 49.1 -22.8 20.8 229 260 A I T 3 S+ 0 0 82 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.781 107.3 43.5 -49.0 -34.3 51.4 -19.9 21.8 230 261 A L T >> S+ 0 0 1 1,-0.2 3,-1.8 2,-0.1 4,-0.8 0.437 83.4 97.2 -96.0 -1.0 49.1 -19.1 24.8 231 262 A E G X4 S+ 0 0 107 -3,-1.8 3,-1.2 1,-0.3 4,-0.4 0.911 83.4 52.2 -55.1 -45.5 48.5 -22.6 26.1 232 263 A E G 34 S+ 0 0 144 -4,-0.5 -1,-0.3 -3,-0.3 4,-0.2 0.639 115.9 43.2 -64.7 -13.0 51.2 -22.3 28.7 233 264 A H G <> S+ 0 0 27 -3,-1.8 4,-2.4 2,-0.1 -1,-0.2 0.366 84.0 97.5-109.7 -1.3 49.5 -19.1 29.9 234 265 A X H S+ 0 0 140 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.945 114.9 43.2 -58.6 -47.1 45.6 -21.0 33.5 236 267 A K H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.850 114.5 50.5 -70.3 -33.8 47.0 -17.6 34.5 237 268 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 110.3 49.6 -62.1 -49.3 44.9 -15.8 31.9 238 269 A N H < S+ 0 0 50 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 117.9 41.3 -59.5 -36.2 41.8 -17.6 33.2 239 270 A S H >< S+ 0 0 74 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.959 118.3 42.3 -73.0 -55.9 42.7 -16.6 36.7 240 271 A C H >< S+ 0 0 4 -4,-2.9 3,-0.7 1,-0.3 12,-0.2 0.860 116.3 47.6 -62.5 -39.4 43.8 -13.0 36.1 241 272 A F T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.238 88.0 86.7 -93.7 11.4 41.1 -12.0 33.7 242 273 A S T < + 0 0 64 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.1 0.465 66.8 108.1 -80.7 -7.3 38.2 -13.5 35.8 243 274 A A S < S- 0 0 12 -3,-0.7 6,-0.0 -4,-0.1 -3,-0.0 -0.244 70.1-132.5 -79.3 162.6 37.8 -10.2 37.8 244 275 A N S S+ 0 0 109 40,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.520 86.5 48.2 -94.9 -5.7 34.9 -7.7 37.5 245 276 A T S > S- 0 0 46 1,-0.1 4,-1.9 35,-0.0 5,-0.1 -0.967 76.2-128.3-129.6 154.4 37.0 -4.6 37.3 246 277 A V H > S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.882 110.9 58.9 -63.3 -37.4 40.0 -3.6 35.4 247 278 A E H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 106.4 48.6 -58.6 -41.0 41.8 -2.6 38.6 248 279 A E H > S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.880 108.8 52.3 -68.8 -37.8 41.4 -6.1 39.9 249 280 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.947 110.0 47.9 -62.0 -44.7 42.8 -7.6 36.7 250 281 A I H X S+ 0 0 28 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.908 112.7 50.2 -61.1 -42.3 45.9 -5.4 36.9 251 282 A E H X S+ 0 0 104 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.930 109.3 51.1 -62.4 -43.4 46.3 -6.4 40.6 252 283 A N H X S+ 0 0 52 -4,-2.8 4,-2.2 -12,-0.2 -1,-0.2 0.896 109.1 50.4 -62.0 -43.0 46.0 -10.1 39.7 253 284 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.945 111.5 48.8 -62.1 -43.1 48.6 -9.8 36.9 254 285 A Q H < S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.9 48.8 -62.9 -41.0 51.0 -8.1 39.4 255 286 A Q H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 106.4 55.0 -73.2 -29.7 50.4 -10.8 42.0 256 287 A D H < S- 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.944 86.2-173.9 -61.7 -49.0 51.0 -13.6 39.5 257 288 A G < + 0 0 37 -4,-2.3 -3,-0.1 -5,-0.2 -1,-0.1 0.530 23.6 143.1 72.3 7.1 54.3 -11.8 38.9 258 289 A S > - 0 0 34 -5,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.307 65.9-106.9 -69.1 163.0 55.5 -14.0 36.0 259 290 A S H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 122.4 47.4 -52.4 -48.7 57.5 -12.5 33.1 260 291 A F H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 112.0 49.6 -62.8 -44.6 54.4 -12.9 30.8 261 292 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 112.7 46.1 -64.6 -44.3 52.0 -11.3 33.4 262 293 A L H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.871 111.4 53.1 -66.9 -33.6 54.3 -8.3 34.0 263 294 A E H X S+ 0 0 110 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.919 112.7 43.7 -62.0 -44.2 54.8 -7.8 30.3 264 295 A Q H X S+ 0 0 17 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.858 109.0 56.8 -76.2 -34.9 51.0 -7.8 29.7 265 296 A L H X S+ 0 0 21 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.922 105.4 52.7 -51.9 -48.5 50.5 -5.6 32.7 266 297 A K H < S+ 0 0 98 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.913 111.2 46.8 -54.3 -43.2 52.9 -3.1 31.1 267 298 A V H >X S+ 0 0 48 -4,-1.6 3,-2.4 1,-0.2 4,-0.7 0.962 110.5 51.0 -65.9 -49.1 50.8 -3.2 27.9 268 299 A I H >< S+ 0 0 3 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.892 104.0 59.1 -58.5 -40.6 47.5 -2.8 29.7 269 300 A N T 3< S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.597 103.8 52.3 -65.8 -11.2 48.9 0.2 31.5 270 301 A K T <4 S+ 0 0 126 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.494 92.0 96.1 -95.8 -9.0 49.5 1.9 28.1 271 302 A X S << S- 0 0 26 -3,-1.4 -131,-0.2 -4,-0.7 57,-0.1 -0.325 93.6 -84.8 -77.0 159.0 45.9 1.4 26.9 272 303 A S > - 0 0 0 -133,-2.4 4,-2.6 1,-0.2 5,-0.1 -0.508 34.6-144.8 -61.8 124.8 43.1 4.0 27.2 273 304 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.908 100.7 50.0 -61.4 -39.0 41.6 3.7 30.7 274 305 A T H > S+ 0 0 18 56,-0.4 4,-2.5 1,-0.2 5,-0.2 0.953 110.6 50.2 -62.4 -48.3 38.2 4.5 29.5 275 306 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 108.6 53.4 -53.3 -45.1 38.5 2.0 26.7 276 307 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.947 110.9 44.2 -59.4 -47.2 39.6 -0.7 29.2 277 308 A K H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.902 114.6 49.4 -66.8 -41.0 36.6 -0.2 31.5 278 309 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.933 111.0 50.7 -59.2 -46.2 34.2 -0.1 28.6 279 310 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.912 108.7 49.8 -64.7 -43.4 35.7 -3.3 27.1 280 311 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.951 115.4 42.7 -63.6 -45.9 35.5 -5.3 30.3 281 312 A R H X S+ 0 0 51 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.908 112.6 54.8 -65.2 -41.8 31.8 -4.4 30.9 282 313 A Q H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.934 111.9 43.0 -56.6 -49.6 31.0 -4.9 27.2 283 314 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 113.8 50.8 -66.4 -40.2 32.4 -8.5 27.2 284 315 A X H < S+ 0 0 69 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.935 117.3 40.4 -62.7 -43.3 30.8 -9.4 30.6 285 316 A E H >< S+ 0 0 61 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.913 112.7 55.5 -69.2 -42.5 27.4 -8.2 29.3 286 317 A G H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.763 90.6 75.3 -64.3 -25.8 28.0 -9.7 25.8 287 318 A S T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 105.2 35.3 -59.9 -19.6 28.6 -13.1 27.4 288 319 A S T < S+ 0 0 98 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.102 106.4 89.5-123.0 20.0 24.9 -13.4 28.0 289 320 A K S < S- 0 0 55 -3,-1.9 2,-0.1 -139,-0.2 -3,-0.0 -0.838 73.4-117.1-114.2 154.8 23.7 -11.7 24.9 290 321 A T > - 0 0 73 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.352 40.8-101.2 -72.1 166.9 22.8 -12.7 21.3 291 322 A L H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 125.3 49.8 -57.7 -45.2 24.9 -11.3 18.4 292 323 A Q H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 111.1 48.6 -58.8 -46.8 22.1 -8.8 17.7 293 324 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.6 50.4 -60.4 -41.1 21.9 -7.7 21.3 294 325 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.939 110.2 48.8 -59.7 -49.0 25.6 -7.3 21.4 295 326 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.899 108.2 54.2 -62.9 -36.7 25.7 -5.2 18.3 296 327 A T H X S+ 0 0 24 -4,-2.7 4,-1.4 2,-0.2 57,-0.3 0.931 111.8 45.5 -61.4 -42.2 22.9 -3.0 19.6 297 328 A X H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.937 110.7 52.1 -63.1 -49.5 25.0 -2.4 22.7 298 329 A E H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.866 103.0 59.5 -60.2 -32.7 28.2 -1.7 20.7 299 330 A Y H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.956 106.9 46.5 -63.9 -44.1 26.3 0.9 18.6 300 331 A R H X S+ 0 0 50 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.931 113.3 50.0 -59.2 -45.4 25.6 2.8 21.8 301 332 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.913 108.1 52.8 -59.1 -45.8 29.2 2.4 22.8 302 333 A S H X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.907 111.4 45.3 -59.8 -43.4 30.5 3.6 19.4 303 334 A Q H X S+ 0 0 29 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.895 112.8 50.1 -72.0 -38.0 28.4 6.8 19.5 304 335 A A H >< S+ 0 0 25 -4,-2.3 3,-1.1 40,-0.3 4,-0.4 0.907 107.2 55.7 -63.0 -42.1 29.4 7.6 23.1 305 336 A C H >< S+ 0 0 8 -4,-2.4 3,-0.9 1,-0.3 6,-0.5 0.818 98.4 61.1 -62.8 -27.3 33.0 7.1 22.3 306 337 A X H 3< S+ 0 0 11 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.786 101.9 53.9 -67.7 -26.2 32.8 9.7 19.5 307 338 A R T << S+ 0 0 223 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.514 100.1 81.3 -82.6 -11.4 31.9 12.2 22.2 308 339 A G S < S- 0 0 35 -3,-0.9 4,-0.3 -4,-0.4 -3,-0.0 -0.265 81.0-120.1 -88.7-178.7 35.0 11.5 24.3 309 340 A H S > S+ 0 0 82 20,-0.4 4,-1.6 1,-0.1 3,-0.3 0.850 95.4 64.2 -87.0 -39.0 38.6 12.6 24.1 310 341 A D H > S+ 0 0 9 19,-0.4 4,-2.9 1,-0.2 5,-0.3 0.777 90.2 61.2 -69.3 -35.2 40.5 9.3 23.7 311 342 A F H > S+ 0 0 1 -6,-0.5 4,-2.5 -169,-0.3 -1,-0.2 0.960 109.1 42.8 -58.7 -46.9 39.3 8.1 20.3 312 343 A H H > S+ 0 0 53 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.901 116.3 49.3 -67.4 -35.8 40.6 11.1 18.5 313 344 A E H X S+ 0 0 31 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.889 110.4 50.0 -68.7 -42.1 43.8 11.1 20.4 314 345 A G H X>S+ 0 0 0 -4,-2.9 4,-3.1 -173,-0.3 5,-0.5 0.932 108.7 51.3 -62.2 -44.8 44.3 7.4 19.8 315 346 A V H X>S+ 0 0 0 -4,-2.5 4,-2.7 -174,-0.4 5,-1.8 0.961 112.9 47.8 -59.3 -41.3 43.8 7.8 16.0 316 347 A R H <>S+ 0 0 56 -4,-2.0 5,-3.0 3,-0.2 6,-1.0 0.960 116.9 41.1 -58.6 -53.3 46.4 10.6 16.1 317 348 A A H <5S+ 0 0 0 -4,-2.8 7,-1.9 4,-0.2 6,-0.9 0.883 128.2 29.3 -66.3 -41.8 49.0 8.6 18.1 318 349 A V H <5S+ 0 0 52 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.869 132.7 20.4 -89.8 -43.0 48.5 5.4 16.3 319 350 A L T < S- 0 0 85 1,-0.1 3,-1.3 -60,-0.0 4,-0.2 -0.909 75.8-135.0-116.3 137.9 44.1 7.2 35.4 333 364 A L G > S+ 0 0 20 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.839 106.0 65.3 -52.2 -38.9 41.6 4.3 35.8 334 365 A K G 3 S+ 0 0 165 1,-0.3 -1,-0.3 -3,-0.0 -87,-0.0 0.835 97.1 54.8 -54.2 -35.8 40.5 5.8 39.1 335 366 A E G < S+ 0 0 107 -3,-1.3 2,-1.0 1,-0.1 -1,-0.3 0.397 84.7 90.5 -84.4 1.8 39.1 8.8 37.1 336 367 A V S < S- 0 0 2 -3,-2.1 -1,-0.1 -4,-0.2 2,-0.1 -0.854 75.0-160.3 -93.3 100.0 37.0 6.5 34.9 337 368 A T > - 0 0 73 -2,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.311 29.9-114.2 -83.8 162.8 33.9 6.6 37.1 338 369 A E H > S+ 0 0 111 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.904 118.1 51.7 -57.2 -42.6 31.0 4.3 37.3 339 370 A E H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 107.7 51.2 -64.9 -43.4 28.7 7.0 36.0 340 371 A D H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 113.3 46.5 -55.3 -47.3 30.9 7.8 33.0 341 372 A L H >X S+ 0 0 9 -4,-2.2 3,-1.0 1,-0.2 4,-1.0 0.955 110.5 51.3 -59.6 -51.8 30.9 4.1 32.2 342 373 A N H >X S+ 0 0 60 -4,-3.1 4,-0.7 1,-0.3 3,-0.5 0.855 102.9 61.1 -57.4 -37.0 27.1 3.8 32.6 343 374 A N H >< S+ 0 0 85 -4,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.854 99.4 54.6 -57.6 -35.7 26.6 6.7 30.3 344 375 A H H << S+ 0 0 15 -4,-1.1 -40,-0.3 -3,-1.0 -1,-0.2 0.799 108.6 50.1 -66.4 -31.9 28.3 4.9 27.4 345 376 A F H << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.537 82.8 120.7 -87.6 -6.5 25.9 2.0 27.8 346 377 A K S << S- 0 0 89 -4,-0.7 2,-0.1 -3,-0.7 -3,-0.0 -0.221 70.8-101.1 -62.5 142.1 22.6 4.0 27.9 347 378 A S - 0 0 71 1,-0.1 -1,-0.1 5,-0.0 3,-0.1 -0.380 15.8-146.1 -60.5 144.7 20.0 3.3 25.2 348 379 A L > - 0 0 70 1,-0.3 3,-2.2 -2,-0.1 -1,-0.1 0.177 32.3-146.1 -93.4 8.5 19.7 5.7 22.3 349 380 A G G > S+ 0 0 46 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.366 76.3 0.5 65.6-126.9 15.9 5.2 22.1 350 381 A S G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -2,-0.1 4,-0.1 0.598 131.5 64.2 -76.8 -10.8 14.6 5.3 18.6 351 382 A S G < S+ 0 0 65 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.469 79.1 117.4 -87.2 -3.1 18.2 5.9 17.4 352 383 A D S < S- 0 0 19 -3,-1.9 2,-0.5 1,-0.1 -56,-0.1 -0.200 78.7-100.8 -56.6 151.9 19.2 2.4 18.7 353 384 A L + 0 0 2 -57,-0.3 2,-0.3 -58,-0.1 -1,-0.1 -0.675 49.5 176.8 -72.2 124.0 20.4 -0.1 16.2 354 385 A K - 0 0 58 -2,-0.5 4,-0.1 -4,-0.1 -262,-0.0 -0.883 29.0-144.2-128.8 158.3 17.5 -2.5 15.5 355 386 A F S S+ 0 0 50 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.228 78.9 35.6-115.8 14.7 17.4 -5.5 13.1 356 387 A A S S- 0 0 44 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.918 96.8 -77.5-150.2 172.3 13.8 -5.3 11.8 357 388 A E > - 0 0 58 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.380 52.3-101.1 -68.3 159.6 11.3 -2.6 11.0 358 389 A N G > S+ 0 0 142 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.807 116.3 66.7 -51.2 -38.7 9.6 -0.9 14.0 359 390 A L G 3 S+ 0 0 146 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.698 89.6 67.7 -63.6 -18.4 6.3 -2.8 13.6 360 391 A Y G < S+ 0 0 170 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.647 94.6 72.8 -69.3 -13.7 8.2 -6.0 14.6 361 392 A F < 0 0 108 -3,-2.2 0, 0.0 -4,-0.3 0, 0.0 -0.772 360.0 360.0-115.2 146.6 8.7 -4.8 18.1 362 393 A Q 0 0 265 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.368 360.0 360.0 -68.4 360.0 6.5 -4.3 21.2