==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 01-DEC-04 1Y4T . COMPND 2 MOLECULE: PUTATIVE IRON-UPTAKE ABC TRANSPORT SYSTEM . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR S.A.L.TOM-YEW,D.T.CUI,E.G.BEKKER,M.E.P.MURPHY . 633 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 28 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 3 3 0 4 2 2 8 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 5 1 2 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 0 2 0 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 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 5 A S 0 0 76 0, 0.0 3,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 89.6 24.7 19.9 15.3 2 6 A E + 0 0 105 26,-0.7 2,-0.4 1,-0.2 27,-0.2 0.878 360.0 25.8 -99.6 -30.4 26.1 18.4 18.4 3 7 A L E -a 29 0A 0 25,-2.6 27,-2.7 245,-0.1 2,-0.6 -0.967 60.7-160.0-135.2 124.8 23.7 15.5 19.4 4 8 A N E -a 30 0A 23 -2,-0.4 49,-2.8 47,-0.3 50,-1.8 -0.867 11.8-171.7-106.8 114.9 21.5 13.4 17.0 5 9 A I E -ab 31 54A 0 25,-2.6 27,-3.1 -2,-0.6 2,-0.6 -0.936 13.9-164.5-110.1 128.0 18.6 11.6 18.6 6 10 A Y E -ab 32 55A 4 48,-2.8 50,-2.4 -2,-0.5 2,-0.4 -0.963 26.6-176.2-103.8 114.8 16.4 9.0 16.8 7 11 A S E -ab 33 56A 0 25,-2.9 27,-1.6 -2,-0.6 50,-0.2 -0.970 37.2-173.3-130.3 131.2 13.3 8.6 19.1 8 12 A A + 0 0 13 48,-2.8 28,-0.2 -2,-0.4 49,-0.2 0.384 61.1 111.0 -94.6 -2.9 10.2 6.4 19.1 9 13 A R - 0 0 7 47,-0.3 25,-0.1 48,-0.1 -2,-0.1 -0.294 51.7-163.7 -63.9 161.2 8.8 8.3 22.1 10 14 A H + 0 0 53 23,-0.1 2,-0.4 48,-0.0 -1,-0.1 -0.250 39.3 121.4-149.6 50.9 5.8 10.4 21.2 11 15 A Y > - 0 0 4 1,-0.1 3,-1.4 354,-0.0 4,-0.3 -0.974 56.5-144.5-132.0 130.7 5.3 12.9 24.1 12 16 A N T >> S+ 0 0 74 -2,-0.4 3,-1.4 1,-0.3 4,-0.5 0.799 98.3 72.2 -61.4 -26.6 5.2 16.7 24.2 13 17 A A H >> S+ 0 0 16 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.786 84.0 68.2 -60.2 -28.7 6.8 16.5 27.7 14 18 A D H <> S+ 0 0 13 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.749 86.2 67.5 -65.8 -25.2 10.2 15.5 26.0 15 19 A F H <> S+ 0 0 77 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.907 100.0 48.7 -62.6 -43.2 10.6 18.9 24.4 16 20 A E H - 0 0 46 -2,-0.3 4,-2.3 526,-0.2 3,-0.3 -0.361 47.6-120.6 -66.2 146.5 8.0 4.6 14.6 36 40 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 114.5 55.7 -56.0 -39.4 10.5 2.3 16.2 37 41 A S H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 109.9 45.9 -62.6 -36.7 10.2 -0.0 13.2 38 42 A E H > S+ 0 0 74 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.868 111.6 50.7 -73.8 -38.4 11.1 2.8 10.8 39 43 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.884 109.7 51.0 -67.6 -35.1 14.1 4.0 13.0 40 44 A I H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 112.1 46.0 -70.1 -45.2 15.5 0.5 13.1 41 45 A K H X S+ 0 0 147 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.908 113.4 51.1 -57.5 -43.3 15.3 0.1 9.3 42 46 A R H X S+ 0 0 100 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.898 110.8 46.5 -67.2 -39.2 16.8 3.6 8.9 43 47 A L H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 112.8 52.4 -69.7 -33.3 19.7 2.8 11.3 44 48 A S H < S+ 0 0 58 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.902 114.9 39.5 -67.1 -42.8 20.1 -0.5 9.4 45 49 A L H < S+ 0 0 146 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.811 119.4 46.1 -76.5 -33.7 20.3 1.2 5.9 46 50 A E H >< S+ 0 0 55 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.812 86.2 161.5 -75.1 -33.0 22.4 4.1 7.2 47 51 A G G >< - 0 0 27 -4,-2.0 3,-2.0 1,-0.3 -1,-0.1 -0.107 67.5 -5.4 50.0-138.4 24.8 1.8 9.1 48 52 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.720 134.1 60.6 -55.6 -27.5 28.1 3.2 10.1 49 53 A N G < S+ 0 0 154 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.428 75.7 122.8 -82.8 -3.6 27.4 6.4 8.2 50 54 A S < - 0 0 2 -3,-2.0 -7,-0.0 -7,-0.2 190,-0.0 -0.385 59.9-144.5 -61.1 137.7 24.3 7.3 10.2 51 55 A P + 0 0 69 0, 0.0 -47,-0.3 0, 0.0 193,-0.3 0.663 64.8 121.4 -68.2 -16.8 24.4 10.8 11.9 52 56 A A + 0 0 0 1,-0.1 -47,-0.2 191,-0.1 3,-0.1 -0.160 31.1 168.1 -54.9 136.0 22.5 9.1 14.8 53 57 A D + 0 0 0 -49,-2.8 187,-2.2 1,-0.3 2,-0.4 0.615 66.9 33.7-108.9 -33.6 24.1 9.2 18.3 54 58 A I E -bC 5 239A 0 -50,-1.8 -48,-2.8 185,-0.3 2,-0.5 -0.976 57.5-160.0-132.4 138.5 21.1 8.0 20.4 55 59 A F E -bC 6 238A 0 183,-2.7 183,-2.0 -2,-0.4 2,-0.4 -0.991 16.0-172.8-116.4 126.6 18.2 5.7 20.0 56 60 A I E +bC 7 237A 9 -50,-2.4 -48,-2.8 -2,-0.5 -47,-0.3 -0.974 6.1 178.4-120.9 135.8 15.2 6.1 22.3 57 61 A T E - C 0 236A 0 179,-2.9 179,-1.2 -2,-0.4 -48,-0.1 -0.794 37.8-140.7-127.8 170.4 12.3 3.8 22.6 58 62 A A S S+ 0 0 5 -2,-0.3 2,-0.3 177,-0.3 177,-0.2 -0.138 89.1 56.5-112.7 30.0 9.0 3.3 24.5 59 63 A D S > S- 0 0 1 177,-0.1 4,-1.1 1,-0.1 177,-0.2 -0.964 70.0-138.1-164.6 143.3 9.6 -0.4 24.5 60 64 A I H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.915 103.2 56.2 -67.7 -46.0 12.2 -3.0 25.7 61 65 A S H > S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.788 101.6 56.8 -64.3 -32.2 11.9 -5.2 22.6 62 66 A N H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.866 109.3 47.4 -62.1 -41.0 12.7 -2.3 20.2 63 67 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.906 113.3 47.1 -65.2 -44.2 16.0 -1.8 22.2 64 68 A T H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.868 110.0 52.8 -67.7 -35.5 16.8 -5.5 22.1 65 69 A E H X S+ 0 0 80 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.947 110.4 47.8 -64.8 -45.2 16.1 -5.9 18.4 66 70 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 6,-0.4 0.905 113.6 49.1 -60.1 -42.9 18.4 -2.9 17.7 67 71 A K H ><5S+ 0 0 34 -4,-2.0 3,-1.8 1,-0.2 5,-0.2 0.916 109.4 50.0 -57.1 -49.9 21.1 -4.5 19.9 68 72 A N H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.633 106.8 56.5 -75.6 -10.3 20.8 -7.9 18.3 69 73 A L T 3<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.314 117.0-113.3 -95.7 6.1 21.1 -6.3 14.8 70 74 A G T < 5S+ 0 0 31 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.727 80.5 126.5 71.8 25.5 24.5 -4.7 15.9 71 75 A L < + 0 0 23 -5,-2.5 170,-2.1 -6,-0.2 171,-0.5 0.533 57.9 63.5 -93.7 -6.0 23.1 -1.2 15.8 72 76 A L E -D 240 0A 1 -6,-0.4 168,-0.2 168,-0.3 23,-0.1 -0.663 63.1-147.2-118.1 165.2 24.1 -0.2 19.3 73 77 A S E -D 239 0A 19 166,-2.3 166,-0.6 21,-0.2 2,-0.0 -0.996 30.0-102.8-132.2 143.1 27.4 0.3 21.3 74 78 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.328 26.4-159.1 -66.4 143.0 28.0 -0.3 25.1 75 79 A V - 0 0 3 18,-2.5 2,-0.7 2,-0.1 20,-0.1 -0.995 1.9-159.8-122.5 125.1 28.2 2.6 27.5 76 80 A S + 0 0 102 -2,-0.4 2,-0.4 18,-0.0 3,-0.1 -0.918 25.8 161.9-108.7 104.0 29.9 2.0 30.8 77 81 A S > - 0 0 5 -2,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.992 36.5-158.2-130.6 122.4 28.7 4.7 33.2 78 82 A K H > S+ 0 0 185 -2,-0.4 4,-1.8 2,-0.2 5,-0.2 0.832 99.3 57.2 -63.0 -34.4 29.0 4.7 36.9 79 83 A Y H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.969 109.0 42.7 -62.6 -53.4 26.1 7.2 37.0 80 84 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.881 115.3 49.6 -60.1 -39.6 23.7 4.9 35.0 81 85 A E H < S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.7 51.2 -74.9 -26.4 24.7 1.8 37.0 82 86 A E H < S+ 0 0 148 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.895 120.5 31.9 -75.3 -39.4 24.2 3.4 40.3 83 87 A F H < S+ 0 0 47 -4,-1.8 193,-0.2 -5,-0.2 -2,-0.2 0.674 109.0 67.5 -98.8 -16.2 20.7 4.8 39.7 84 88 A I S < S- 0 0 1 -4,-2.2 -1,-0.1 -5,-0.2 191,-0.1 -0.927 85.4-123.9-103.4 122.0 19.3 2.1 37.3 85 89 A P > - 0 0 49 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.309 25.6-114.0 -57.7 146.4 18.6 -1.3 38.9 86 90 A A G > S+ 0 0 66 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.781 114.3 61.6 -56.0 -33.0 20.4 -4.1 37.1 87 91 A H G 3 S+ 0 0 108 1,-0.3 210,-0.7 3,-0.0 211,-0.3 0.555 103.2 52.8 -69.9 -8.1 17.1 -5.7 36.0 88 92 A L G < S+ 0 0 6 -3,-2.2 9,-2.5 208,-0.1 2,-0.3 0.151 106.5 57.6-116.3 16.1 16.3 -2.5 34.1 89 93 A R B < S-E 96 0A 45 -3,-1.4 7,-0.2 7,-0.2 2,-0.2 -0.983 92.2 -90.4-144.1 157.2 19.5 -2.3 32.0 90 94 A D > - 0 0 5 5,-2.7 3,-1.8 -2,-0.3 -2,-0.1 -0.408 22.4-140.4 -66.5 130.1 21.3 -4.5 29.6 91 95 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.872 109.5 50.7 -53.1 -36.4 23.9 -6.9 31.1 92 96 A D T 3 S- 0 0 81 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.291 115.3-121.0 -90.6 9.1 26.0 -6.1 28.0 93 97 A K S < S+ 0 0 58 -3,-1.8 -18,-2.5 2,-0.2 -2,-0.1 0.707 79.1 116.3 67.9 25.2 25.5 -2.3 28.7 94 98 A E S S+ 0 0 34 -20,-0.2 2,-0.3 1,-0.2 145,-0.3 0.622 74.0 31.3-102.7 -13.3 23.9 -1.4 25.3 95 99 A W - 0 0 3 143,-0.1 -5,-2.7 -23,-0.1 2,-0.3 -0.987 61.4-170.4-143.1 156.9 20.4 -0.3 26.5 96 100 A F E -EF 89 237A 0 141,-1.7 141,-2.7 -2,-0.3 -7,-0.2 -0.993 24.4-118.2-149.5 128.6 19.1 1.4 29.7 97 101 A A E + F 0 236A 0 -9,-2.5 139,-0.3 -2,-0.3 3,-0.1 -0.412 22.8 178.0 -66.2 140.3 15.6 2.1 31.1 98 102 A I E S+ 0 0 4 137,-3.0 176,-0.7 1,-0.4 2,-0.3 0.572 70.6 3.2-110.2 -24.3 14.6 5.7 31.6 99 103 A T E -GF 273 235A 0 136,-1.7 136,-1.2 174,-0.2 -1,-0.4 -0.975 62.1-130.1-149.3 167.9 11.1 4.9 32.8 100 104 A K E +GF 272 234A 24 172,-2.6 172,-2.5 -2,-0.3 2,-0.3 -0.906 21.3 179.0-114.3 153.6 8.6 2.2 33.7 101 105 A R E - F 0 233A 1 132,-2.2 132,-2.5 -2,-0.3 2,-0.4 -0.983 18.6-137.8-149.3 152.5 5.1 1.8 32.5 102 106 A A E - F 0 232A 0 -2,-0.3 95,-2.2 130,-0.2 2,-0.8 -0.935 9.8-141.2-114.8 132.3 2.4 -0.8 33.2 103 107 A R E +H 196 0B 1 128,-2.1 128,-0.5 -2,-0.4 93,-0.3 -0.847 40.5 166.5 -92.3 110.5 0.1 -2.2 30.6 104 108 A I E -H 195 0B 0 91,-2.8 91,-2.1 -2,-0.8 2,-0.5 -0.390 40.6-106.8-116.6-179.9 -3.2 -2.5 32.4 105 109 A I E -HI 194 221B 0 116,-2.1 116,-2.8 89,-0.2 2,-0.3 -0.993 36.2-159.1-115.6 119.2 -6.9 -3.1 31.6 106 110 A A E -HI 193 220B 0 87,-3.0 87,-2.3 -2,-0.5 2,-0.3 -0.745 10.6-177.8-103.3 147.4 -9.1 -0.0 32.0 107 111 A Y E - I 0 219B 52 112,-1.9 112,-3.0 -2,-0.3 2,-1.0 -0.823 39.8 -92.6-132.8 170.6 -12.8 0.2 32.6 108 112 A N E > - I 0 218B 19 83,-0.5 3,-1.4 -2,-0.3 110,-0.2 -0.796 32.0-172.2 -89.4 98.1 -15.3 3.0 32.9 109 113 A K T 3 S+ 0 0 105 108,-2.4 -1,-0.1 -2,-1.0 109,-0.1 0.545 80.0 73.4 -71.5 -6.7 -15.6 3.6 36.7 110 114 A N T 3 S+ 0 0 115 107,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.181 97.2 62.2 -86.4 16.7 -18.5 6.0 36.0 111 115 A T S < S- 0 0 67 -3,-1.4 2,-1.0 106,-0.2 -4,-0.0 -0.897 94.4-106.4-130.7 164.8 -20.6 2.8 35.3 112 116 A N + 0 0 178 -2,-0.3 2,-0.4 2,-0.0 -3,-0.1 -0.831 54.1 163.5 -89.6 102.1 -21.6 -0.2 37.2 113 117 A I - 0 0 40 -2,-1.0 2,-0.8 -4,-0.1 -2,-0.1 -0.989 38.8-132.6-128.2 129.7 -19.4 -2.8 35.8 114 118 A D + 0 0 107 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.749 27.8 171.6 -80.8 113.0 -18.6 -6.2 37.3 115 119 A I > + 0 0 52 -2,-0.8 3,-1.2 1,-0.2 -1,-0.1 0.272 48.1 107.7-104.2 9.2 -14.8 -6.6 37.1 116 120 A S T 3 S+ 0 0 68 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.696 84.8 39.5 -57.6 -28.2 -14.9 -9.8 39.2 117 121 A K T 3 S+ 0 0 115 -3,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.364 100.0 75.3-109.5 3.0 -14.1 -12.0 36.2 118 122 A M < + 0 0 1 -3,-1.2 -1,-0.2 1,-0.1 -13,-0.1 -0.750 58.2 119.2-114.3 77.6 -11.5 -9.7 34.5 119 123 A K + 0 0 85 -2,-0.6 105,-2.6 1,-0.1 106,-0.5 0.683 64.4 40.3-113.7 -32.4 -8.5 -10.3 36.8 120 124 A N S >> S- 0 0 28 103,-0.3 3,-1.2 -3,-0.2 4,-0.5 -0.824 81.3-111.5-123.9 161.0 -5.8 -11.8 34.6 121 125 A Y G >4 S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.902 117.6 62.2 -57.1 -38.3 -4.5 -11.2 31.0 122 126 A E G >4 S+ 0 0 84 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.793 90.9 68.2 -60.6 -27.0 -5.9 -14.5 30.1 123 127 A D G X4 S+ 0 0 19 -3,-1.2 3,-1.4 1,-0.3 -1,-0.3 0.763 85.1 68.9 -65.3 -26.1 -9.4 -13.2 30.9 124 128 A L G << S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.763 97.7 52.9 -59.3 -30.0 -9.3 -10.8 28.0 125 129 A A G < S+ 0 0 22 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.359 84.3 122.4 -88.8 2.4 -9.5 -13.9 25.6 126 130 A K X - 0 0 71 -3,-1.4 3,-2.3 1,-0.1 4,-0.1 -0.467 68.5-129.2 -77.4 133.8 -12.6 -15.3 27.3 127 131 A A G > S+ 0 0 70 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 0.817 105.1 67.4 -42.9 -38.0 -15.8 -16.0 25.3 128 132 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -5,-0.1 -5,-0.0 0.725 98.1 52.6 -64.1 -20.4 -17.8 -14.1 28.0 129 133 A F G X S+ 0 0 12 -3,-2.3 3,-2.2 -6,-0.2 4,-0.4 0.149 75.4 146.1-101.6 19.8 -16.1 -10.9 26.9 130 134 A K T < S+ 0 0 119 -3,-2.1 39,-0.2 1,-0.3 40,-0.1 -0.355 77.0 7.3 -60.2 125.7 -16.9 -11.2 23.2 131 135 A G T 3 S+ 0 0 36 38,-0.7 -1,-0.3 37,-0.2 39,-0.1 0.451 112.6 89.0 82.9 2.9 -17.5 -7.7 21.7 132 136 A E < + 0 0 52 -3,-2.2 60,-2.2 37,-0.3 59,-1.1 0.372 68.5 79.7-113.8 0.9 -16.5 -6.0 25.0 133 137 A I E -jk 170 192B 0 36,-1.5 38,-3.0 -4,-0.4 39,-0.4 -0.853 51.6-166.4-112.9 146.3 -12.7 -5.5 24.6 134 138 A V E + k 0 193B 0 58,-2.3 60,-2.1 -2,-0.3 2,-0.3 -0.999 15.0 160.5-129.6 139.3 -10.6 -3.0 22.7 135 139 A M - 0 0 3 -2,-0.4 3,-0.1 37,-0.3 37,-0.1 -0.982 35.5-111.6-148.5 146.8 -6.9 -3.1 21.9 136 140 A R - 0 0 49 58,-0.4 41,-0.1 -2,-0.3 40,-0.0 -0.138 59.0 -55.4 -70.8 171.6 -4.6 -1.4 19.4 137 141 A S > - 0 0 22 39,-0.4 3,-1.3 1,-0.1 6,-0.3 -0.033 40.0-125.1 -48.0 145.4 -3.0 -3.2 16.4 138 142 A A T 3 S+ 0 0 4 1,-0.2 -1,-0.1 5,-0.1 173,-0.1 0.592 107.7 70.3 -63.5 -15.4 -0.8 -6.2 16.9 139 143 A T T 3 S+ 0 0 69 4,-0.1 -1,-0.2 172,-0.1 -2,-0.1 0.627 77.0 102.3 -80.2 -11.2 2.0 -4.3 15.0 140 144 A A S X> S- 0 0 9 -3,-1.3 4,-2.6 1,-0.1 3,-0.6 -0.535 79.1-127.5 -73.1 136.0 2.4 -1.9 18.0 141 145 A P H 3> S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.867 110.8 54.5 -43.5 -46.9 5.4 -2.4 20.2 142 146 A Y H 3> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.882 111.6 44.8 -59.3 -40.0 3.2 -2.4 23.3 143 147 A S H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.3 -1,-0.2 0.906 114.1 48.3 -68.3 -44.2 1.1 -5.2 21.8 144 148 A K H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 114.4 45.3 -65.1 -44.9 4.1 -7.2 20.6 145 149 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.856 109.1 55.0 -70.8 -34.6 5.9 -7.1 23.9 146 150 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.941 111.4 45.3 -61.7 -44.8 2.7 -7.8 26.0 147 151 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.904 108.4 57.5 -66.8 -37.2 2.3 -11.0 23.9 148 152 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 106.5 49.6 -56.5 -40.4 6.0 -11.8 24.3 149 153 A S H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.843 107.3 53.1 -70.1 -34.1 5.4 -11.7 28.1 150 154 A I H X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.867 110.9 47.7 -66.9 -38.1 2.5 -14.0 27.9 151 155 A I H X S+ 0 0 13 -4,-2.3 4,-2.1 3,-0.2 -2,-0.2 0.921 109.8 53.6 -64.9 -43.6 4.7 -16.5 25.9 152 156 A A H < S+ 0 0 20 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 121.4 30.0 -57.9 -40.0 7.5 -16.1 28.5 153 157 A N H < S+ 0 0 52 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.878 136.4 20.7 -88.7 -43.0 5.1 -16.9 31.4 154 158 A D H < S- 0 0 77 -4,-3.0 4,-0.5 -5,-0.2 -3,-0.2 0.504 101.0-118.5-114.0 -6.0 2.6 -19.3 29.8 155 159 A G X - 0 0 29 -4,-2.1 4,-2.1 -5,-0.4 3,-0.2 0.125 37.9 -69.5 82.2 163.2 4.2 -20.7 26.6 156 160 A N H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.740 123.3 58.4 -64.3 -29.6 3.2 -20.5 23.0 157 161 A K H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.958 112.9 39.2 -63.7 -52.3 0.1 -22.7 23.0 158 162 A E H > S+ 0 0 59 -4,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.883 114.4 56.1 -63.4 -39.9 -1.7 -20.6 25.7 159 163 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.875 107.9 47.7 -61.1 -39.4 -0.3 -17.4 24.0 160 164 A K H X S+ 0 0 69 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.929 111.6 49.8 -68.7 -44.0 -1.9 -18.4 20.7 161 165 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.849 111.8 50.5 -58.4 -36.7 -5.2 -19.1 22.4 162 166 A W H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 111.1 46.3 -67.3 -48.9 -5.0 -15.7 24.0 163 167 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.902 113.4 49.9 -64.7 -40.7 -4.3 -13.9 20.8 164 168 A K H X S+ 0 0 106 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.901 112.2 47.3 -60.6 -43.8 -7.1 -15.7 19.0 165 169 A G H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.883 110.6 51.1 -69.8 -39.3 -9.5 -15.0 21.8 166 170 A V H X S+ 0 0 1 -4,-2.5 4,-1.0 2,-0.2 3,-0.3 0.951 110.3 49.8 -61.7 -49.3 -8.6 -11.3 21.9 167 171 A L H >< S+ 0 0 55 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.933 113.0 46.3 -52.3 -49.9 -9.0 -11.0 18.2 168 172 A E H 3< S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.0 51.5 -65.4 -28.0 -12.4 -12.6 18.3 169 173 A N H 3< S+ 0 0 2 -4,-1.7 -36,-1.5 -3,-0.3 -38,-0.7 0.542 77.7 123.3 -87.2 -10.3 -13.4 -10.4 21.3 170 174 A L B << -j 133 0B 28 -4,-1.0 -36,-0.2 -3,-0.9 3,-0.1 -0.315 53.2-151.0 -59.7 130.3 -12.5 -7.0 19.8 171 175 A A S S+ 0 0 33 -38,-3.0 2,-0.3 1,-0.2 -1,-0.2 0.813 82.6 2.9 -65.9 -36.5 -15.5 -4.6 19.8 172 176 A T S S- 0 0 36 -39,-0.4 -37,-0.3 -37,-0.1 -1,-0.2 -0.962 92.8 -84.1-141.7 159.5 -14.0 -2.9 16.7 173 177 A N S S- 0 0 142 -2,-0.3 -36,-0.1 1,-0.1 -37,-0.0 -0.384 71.3 -81.4 -54.3 143.4 -11.1 -3.4 14.4 174 178 A P + 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.240 56.1 178.0 -54.7 132.4 -8.1 -1.7 16.1 175 179 A K - 0 0 54 1,-0.2 172,-0.1 -3,-0.1 -3,-0.0 -0.964 45.7 -26.4-142.4 125.6 -8.0 2.0 15.5 176 180 A G S S- 0 0 14 -2,-0.4 -39,-0.4 4,-0.1 -1,-0.2 0.014 85.2 -58.2 69.6-174.5 -5.4 4.4 16.9 177 181 A G S >> S- 0 0 20 -41,-0.1 3,-1.7 -3,-0.1 4,-1.4 -0.126 71.2 -62.4 -89.7-168.1 -3.3 4.1 20.0 178 182 A D H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.785 128.9 56.7 -48.1 -42.3 -4.1 3.6 23.7 179 183 A R H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.838 105.2 52.6 -66.0 -30.4 -5.9 6.9 24.1 180 184 A D H <> S+ 0 0 19 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.858 108.1 50.6 -72.3 -34.2 -8.4 5.9 21.3 181 185 A Q H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.902 109.9 51.4 -65.2 -40.7 -9.1 2.7 23.1 182 186 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 106.8 52.9 -62.5 -40.3 -9.7 4.8 26.3 183 187 A R H X S+ 0 0 45 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.875 105.6 55.2 -63.6 -35.9 -12.1 7.0 24.3 184 188 A Q H X>S+ 0 0 20 -4,-1.6 5,-1.9 2,-0.2 6,-1.0 0.881 108.5 47.4 -63.7 -38.9 -14.0 3.9 23.3 185 189 A V H ><5S+ 0 0 1 -4,-1.5 3,-0.5 2,-0.2 -2,-0.2 0.890 111.8 50.2 -69.0 -39.4 -14.4 2.9 26.9 186 190 A F H 3<5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 111.9 48.5 -59.7 -46.6 -15.5 6.4 27.8 187 191 A A H 3<5S- 0 0 77 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.537 114.5-115.3 -75.4 -10.2 -18.1 6.4 25.0 188 192 A G T <<5S+ 0 0 60 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.567 81.0 123.5 86.6 8.7 -19.5 2.9 25.9 189 193 A E S > -H 103 0B 2 -2,-0.3 3,-0.9 -93,-0.3 4,-0.6 -0.495 34.5-123.7 -77.8 144.9 -0.5 1.9 29.5 197 201 A T H >> S+ 0 0 0 -95,-2.2 3,-1.1 1,-0.2 4,-1.0 0.845 104.1 62.4 -57.2 -39.1 -0.9 3.6 32.9 198 202 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.808 91.7 66.0 -66.7 -27.4 0.6 7.0 31.9 199 203 A Y H <> S+ 0 0 5 -3,-0.9 4,-2.8 1,-0.2 -1,-0.3 0.840 95.7 58.3 -61.5 -32.7 -2.1 7.7 29.2 200 204 A I H < S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.2 12,-0.2 0.943 111.3 51.0 -69.0 -47.8 -5.8 12.3 29.6 204 208 A K H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 119.5 38.5 -60.9 -26.3 -6.8 13.5 33.1 205 209 A N T 3< S+ 0 0 78 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.098 90.1 135.6-111.0 19.9 -4.3 16.4 32.7 206 210 A S < - 0 0 37 -3,-1.6 6,-0.1 2,-0.2 -3,-0.1 -0.252 62.7-129.3 -77.0 155.6 -4.9 17.3 29.0 207 211 A K S S+ 0 0 150 155,-0.2 -1,-0.1 1,-0.0 156,-0.1 0.636 93.9 82.7 -69.2 -17.3 -5.4 20.7 27.6 208 212 A N S >> S- 0 0 12 1,-0.1 4,-1.7 -5,-0.1 3,-0.8 -0.840 72.0-151.9 -97.1 115.4 -8.5 19.3 25.9 209 213 A P H 3> S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.823 96.7 58.2 -52.7 -37.3 -11.6 19.2 28.1 210 214 A K H 3> S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.881 106.5 47.5 -63.0 -38.4 -12.9 16.2 26.2 211 215 A D H <> S+ 0 0 12 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.834 105.9 59.0 -72.5 -31.5 -9.8 14.2 27.0 212 216 A V H X S+ 0 0 41 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.917 106.1 49.0 -60.0 -43.2 -10.1 15.3 30.7 213 217 A E H X S+ 0 0 109 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.919 111.4 49.1 -62.3 -44.9 -13.6 13.7 30.8 214 218 A V H >< S+ 0 0 7 -4,-1.7 3,-1.0 1,-0.2 4,-0.4 0.957 113.3 46.5 -57.7 -53.1 -12.3 10.5 29.2 215 219 A G H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.908 108.3 55.3 -56.8 -49.4 -9.4 10.3 31.6 216 220 A N H 3< S+ 0 0 66 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 103.1 57.9 -57.5 -22.1 -11.6 11.0 34.6 217 221 A S T << S+ 0 0 0 -3,-1.0 -108,-2.4 -4,-1.0 -107,-0.7 0.590 85.0 105.2 -84.0 -8.0 -13.8 8.0 33.7 218 222 A L E < -I 108 0B 8 -3,-1.7 2,-0.3 -4,-0.4 -110,-0.2 -0.617 45.2-172.8 -91.3 128.2 -11.1 5.4 33.8 219 223 A G E -I 107 0B 6 -112,-3.0 -112,-1.9 -2,-0.4 2,-0.5 -0.789 22.6-126.6-104.7 154.6 -10.6 2.8 36.5 220 224 A I E -I 106 0B 34 -2,-0.3 2,-0.6 -114,-0.2 -114,-0.2 -0.895 16.2-167.4-111.7 127.9 -7.6 0.5 36.5 221 225 A I E -I 105 0B 17 -116,-2.8 -116,-2.1 -2,-0.5 -102,-0.0 -0.974 13.7-155.1 -97.1 116.8 -7.4 -3.3 36.7 222 226 A F > - 0 0 25 -2,-0.6 3,-0.6 -118,-0.2 69,-0.1 -0.845 29.7-131.6 -84.9 101.9 -3.8 -4.2 37.5 223 227 A P T 3 S+ 0 0 0 0, 0.0 -103,-0.3 0, 0.0 -104,-0.1 -0.129 73.8 17.0 -63.2 154.5 -3.9 -7.7 36.0 224 228 A N T > > + 0 0 5 -105,-2.6 5,-2.3 1,-0.1 3,-1.2 0.762 67.7 146.8 64.1 31.3 -2.7 -10.9 37.7 225 229 A Q T < 5S+ 0 0 57 -3,-0.6 -1,-0.1 -106,-0.5 -105,-0.1 0.795 70.5 57.3 -65.9 -27.0 -2.5 -9.6 41.2 226 230 A D T 3 5S+ 0 0 125 -107,-0.2 -1,-0.2 3,-0.0 -106,-0.1 0.545 126.4 5.4 -79.9 -10.6 -3.5 -13.0 42.6 227 231 A N T < 5S- 0 0 73 -3,-1.2 -2,-0.0 64,-0.1 -107,-0.0 0.124 129.3 -2.8-136.5-108.4 -0.4 -14.6 40.9 228 232 A R T 5S- 0 0 52 1,-0.2 66,-0.5 65,-0.1 -3,-0.1 0.662 89.1-125.8 -78.9 -19.6 2.5 -13.3 38.9 229 233 A G < - 0 0 0 -5,-2.3 63,-0.3 64,-0.2 -1,-0.2 -0.196 39.4 -34.3 96.7 173.5 1.7 -9.6 38.8 230 234 A T B -l 292 0C 0 61,-2.6 63,-2.9 1,-0.1 2,-0.4 -0.328 60.8-102.0 -76.5 144.8 1.2 -6.9 36.2 231 235 A H - 0 0 1 -128,-0.5 -128,-2.1 61,-0.2 2,-0.4 -0.524 37.8-165.3 -65.4 119.2 3.1 -6.5 32.9 232 236 A I E + F 0 102A 14 -2,-0.4 2,-0.3 -130,-0.2 -130,-0.2 -0.890 9.5 177.3-106.4 139.3 5.8 -3.8 33.1 233 237 A N E - F 0 101A 5 -132,-2.5 -132,-2.2 -2,-0.4 2,-0.3 -0.829 16.9-135.8-128.4 167.9 7.6 -2.4 30.0 234 238 A I E - F 0 100A 0 -2,-0.3 2,-0.4 -134,-0.2 -134,-0.2 -0.910 11.1-137.7-123.9 153.6 10.2 0.4 29.8 235 239 A S E + F 0 99A 0 -136,-1.2 -137,-3.0 -2,-0.3 -136,-1.7 -0.904 47.1 175.8 -93.3 141.0 11.0 3.4 27.8 236 240 A G E -CF 57 97A 0 -179,-1.2 -179,-2.9 -2,-0.4 2,-0.3 -0.922 26.1-138.1-149.9 175.3 14.7 3.2 27.3 237 241 A I E +CF 56 96A 0 -141,-2.7 -141,-1.7 -2,-0.3 2,-0.3 -0.939 14.1 176.9-142.4 149.7 17.8 4.7 25.6 238 242 A A E -C 55 0A 0 -183,-2.0 -183,-2.7 -2,-0.3 2,-0.5 -0.987 31.0-116.8-151.4 152.2 21.0 3.5 23.9 239 243 A M E -CD 54 73A 3 -166,-0.6 -166,-2.3 -2,-0.3 -185,-0.3 -0.800 38.0-125.4 -86.0 132.9 24.1 4.9 22.1 240 244 A T E > - D 0 72A 1 -187,-2.2 3,-1.7 -2,-0.5 -168,-0.3 -0.532 9.9-127.2 -77.4 149.7 24.2 4.0 18.5 241 245 A K T 3 S+ 0 0 137 -170,-2.1 -169,-0.2 1,-0.3 -1,-0.1 0.865 112.6 59.3 -60.5 -32.9 27.3 2.2 17.0 242 246 A S T 3 S+ 0 0 10 -171,-0.5 -1,-0.3 -195,-0.1 -170,-0.1 0.549 78.4 134.3 -71.0 -9.0 27.3 5.0 14.4 243 247 A S < + 0 0 6 -3,-1.7 3,-0.2 -190,-0.2 -190,-0.2 -0.186 26.5 171.8 -57.2 128.5 27.7 7.7 17.1 244 248 A K S S+ 0 0 175 -193,-0.3 2,-0.2 1,-0.2 3,-0.2 0.469 78.6 56.6-107.8 -11.3 30.3 10.3 16.4 245 249 A N > + 0 0 50 1,-0.1 4,-2.4 -241,-0.1 -1,-0.2 -0.537 64.9 150.8-115.6 59.4 29.3 12.6 19.3 246 250 A Q H > + 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.825 67.1 56.7 -68.5 -33.3 29.8 9.9 22.0 247 251 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 112.0 42.6 -57.0 -51.6 30.8 12.4 24.7 248 252 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.878 111.4 56.2 -64.4 -39.9 27.5 14.2 24.2 249 253 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.918 109.2 44.6 -58.5 -49.0 25.6 10.9 23.9 250 254 A K H X S+ 0 0 81 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.892 112.2 53.7 -66.9 -37.1 26.8 9.6 27.3 251 255 A K H X S+ 0 0 95 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.939 110.5 46.4 -59.2 -45.2 26.1 13.0 28.8 252 256 A F H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.909 110.9 51.8 -65.9 -44.3 22.5 12.9 27.5 253 257 A M H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.914 112.7 45.3 -58.7 -45.9 21.9 9.3 28.7 254 258 A E H >< S+ 0 0 64 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.909 109.3 57.0 -63.1 -40.2 23.1 10.3 32.3 255 259 A F H >< S+ 0 0 19 -4,-2.4 3,-1.4 1,-0.3 6,-0.3 0.839 99.0 60.0 -58.6 -34.9 21.0 13.5 32.1 256 260 A M H 3< S+ 0 0 9 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 107.6 45.5 -68.7 -24.2 17.9 11.3 31.5 257 261 A L T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.283 89.9 118.2 -99.9 9.6 18.5 9.6 34.8 258 262 A S S <> S- 0 0 19 -3,-1.4 4,-2.7 -4,-0.2 5,-0.3 -0.302 77.3-108.4 -74.7 155.9 19.1 12.9 36.7 259 263 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.911 115.0 44.1 -51.3 -51.5 16.9 14.0 39.6 260 264 A E H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 115.9 47.1 -68.1 -35.1 15.1 16.8 37.8 261 265 A I H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.892 110.0 51.5 -77.0 -38.5 14.5 14.9 34.6 262 266 A Q H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.891 110.5 51.9 -61.2 -35.0 13.2 11.8 36.3 263 267 A K H X S+ 0 0 115 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.899 107.8 50.1 -67.7 -41.4 10.9 14.1 38.2 264 268 A I H X>S+ 0 0 16 -4,-1.8 4,-3.2 1,-0.2 5,-0.8 0.898 105.2 58.6 -60.8 -40.4 9.6 15.7 34.9 265 269 A L H X5S+ 0 0 2 -4,-2.2 6,-2.0 1,-0.2 4,-0.5 0.872 115.8 33.3 -62.9 -36.3 9.0 12.3 33.5 266 270 A T H X5S+ 0 0 0 -4,-1.4 4,-0.6 4,-0.2 -1,-0.2 0.841 123.2 46.2 -86.0 -33.3 6.6 11.4 36.3 267 271 A D H <5S+ 0 0 62 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.852 128.5 21.8 -75.1 -39.3 5.2 14.9 36.8 268 272 A S H <5S+ 0 0 39 -4,-3.2 -3,-0.2 -5,-0.2 -255,-0.2 0.610 135.9 31.5-108.0 -17.7 4.6 15.8 33.2 269 273 A N H < S- 0 0 14 -177,-0.2 3,-0.7 1,-0.1 -191,-0.1 -0.326 72.0-145.6 -57.6 138.6 15.3 6.2 40.3 276 280 A N T 3 S+ 0 0 162 1,-0.2 -1,-0.1 -193,-0.2 -192,-0.0 0.316 93.3 60.4 -90.1 6.3 14.2 5.1 43.7 277 281 A D T 3 S+ 0 0 92 2,-0.1 2,-0.5 -18,-0.0 -1,-0.2 0.070 80.9 96.0-121.7 22.2 14.6 8.5 45.3 278 282 A V S < S- 0 0 24 -3,-0.7 2,-0.1 -16,-0.1 -18,-0.0 -0.965 74.1-124.8-115.7 122.2 12.2 10.5 43.1 279 283 A E - 0 0 122 -2,-0.5 -13,-0.1 1,-0.1 2,-0.1 -0.441 27.2-117.7 -64.5 136.2 8.6 11.1 44.4 280 284 A L - 0 0 60 -2,-0.1 -1,-0.1 1,-0.1 -8,-0.1 -0.412 35.5-101.6 -64.5 151.0 5.9 9.9 42.1 281 285 A S > - 0 0 7 -10,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.334 32.4-109.7 -68.9 159.6 3.5 12.7 40.8 282 286 A Q H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.893 119.6 53.4 -61.7 -40.5 0.2 12.9 42.6 283 287 A T H > S+ 0 0 29 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.916 110.2 47.9 -57.6 -43.3 -1.7 11.6 39.5 284 288 A V H >> S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.890 106.7 55.3 -68.5 -37.1 0.6 8.6 39.4 285 289 A K H >< S+ 0 0 97 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.893 102.6 60.2 -59.7 -38.4 0.1 7.9 43.1 286 290 A D H 3< S+ 0 0 139 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.700 85.2 73.0 -70.0 -18.5 -3.6 7.8 42.3 287 291 A F H << S- 0 0 16 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.815 104.8-135.7 -58.7 -28.6 -3.2 4.9 39.9 288 292 A G << - 0 0 33 -3,-1.6 2,-0.2 -4,-0.5 -1,-0.1 -0.182 20.3 -58.2 97.6 173.5 -2.7 2.9 43.1 289 293 A T + 0 0 142 -3,-0.1 2,-0.3 -2,-0.1 -67,-0.1 -0.536 55.5 166.5 -91.8 155.3 -0.3 0.3 44.3 290 294 A F - 0 0 38 -2,-0.2 2,-0.4 -60,-0.0 -2,-0.0 -0.994 38.7 -98.8-162.7 158.3 0.2 -3.1 42.6 291 295 A K - 0 0 103 -2,-0.3 -61,-2.6 -69,-0.1 2,-0.3 -0.733 38.6-146.3 -82.4 135.5 2.3 -6.2 42.3 292 296 A E B -l 230 0C 61 -2,-0.4 -61,-0.2 -63,-0.3 2,-0.1 -0.733 23.5-102.6-102.0 146.5 4.7 -6.2 39.3 293 297 A D - 0 0 17 -63,-2.9 -64,-0.2 -2,-0.3 -61,-0.1 -0.458 27.9-149.0 -60.9 134.0 5.8 -9.2 37.2 294 298 A Q + 0 0 160 -66,-0.5 -1,-0.1 -2,-0.1 3,-0.1 0.551 57.7 117.8 -88.8 -6.2 9.3 -10.1 38.4 295 299 A I S S- 0 0 35 1,-0.1 2,-0.1 2,-0.1 -2,-0.0 -0.338 76.3-106.6 -60.1 135.1 10.5 -11.5 35.0 296 300 A P >> - 0 0 57 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.408 19.6-131.5 -59.4 137.4 13.4 -9.5 33.6 297 301 A V H 3> S+ 0 0 8 -210,-0.7 4,-1.9 1,-0.2 5,-0.1 0.834 107.8 63.5 -64.6 -26.7 12.3 -7.4 30.7 298 302 A S H 3> S+ 0 0 49 -211,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.859 101.6 49.5 -60.5 -38.7 15.3 -8.7 28.8 299 303 A K H <4 S+ 0 0 84 -3,-0.7 3,-0.5 2,-0.2 4,-0.3 0.880 106.8 55.4 -71.2 -37.1 13.8 -12.3 29.0 300 304 A I H >< S+ 0 0 1 -4,-1.5 3,-2.2 1,-0.2 -2,-0.2 0.950 104.4 54.1 -52.8 -49.3 10.4 -11.0 27.7 301 305 A A H >< S+ 0 0 4 -4,-1.9 3,-1.6 1,-0.3 4,-0.2 0.727 91.4 73.1 -67.3 -22.5 12.1 -9.6 24.7 302 306 A E T 3< S+ 0 0 143 -4,-0.8 -1,-0.3 -3,-0.5 3,-0.2 0.635 97.1 52.1 -61.6 -14.5 13.7 -12.9 23.9 303 307 A N T <> S+ 0 0 37 -3,-2.2 4,-1.4 -4,-0.3 -1,-0.3 0.050 74.6 109.8-107.8 19.2 10.2 -14.1 22.8 304 308 A I H <> S+ 0 0 40 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 0.902 75.2 52.3 -69.0 -39.1 9.5 -11.2 20.4 305 309 A K H > S+ 0 0 150 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 109.0 49.5 -60.2 -47.9 9.7 -13.2 17.2 306 310 A E H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 108.4 56.2 -63.4 -30.9 7.2 -15.8 18.4 307 311 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.944 109.4 43.0 -62.7 -51.9 4.9 -13.0 19.4 308 312 A V H X S+ 0 0 60 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.930 114.0 54.2 -61.7 -43.1 4.8 -11.5 15.8 309 313 A K H X S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.941 110.2 45.3 -52.3 -54.3 4.4 -15.1 14.5 310 314 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.908 110.7 51.6 -60.2 -47.9 1.4 -15.8 16.7 311 315 A Y H X>S+ 0 0 3 -4,-2.3 5,-2.5 1,-0.2 4,-1.2 0.923 113.7 46.9 -57.9 -43.8 -0.4 -12.5 15.9 312 316 A D H <5S+ 0 0 70 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.915 112.7 47.6 -56.0 -51.8 0.1 -13.2 12.2 313 317 A E H <5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 110.1 52.8 -66.5 -30.6 -1.1 -16.8 12.4 314 318 A V H <5S- 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.742 124.2 -98.1 -81.6 -25.9 -4.2 -15.9 14.4 315 319 A G T <5S+ 0 0 49 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.1 0.590 71.0 140.8 118.8 15.9 -5.2 -13.3 11.9 316 320 A F < 0 0 14 -5,-2.5 -1,-0.2 -6,-0.2 -179,-0.0 -0.425 360.0 360.0 -73.1 164.0 -4.1 -9.8 13.1 317 321 A R 0 0 195 -2,-0.1 -2,-0.0 0, 0.0 -180,-0.0 0.832 360.0 360.0 75.9 360.0 -2.8 -7.3 10.5 318 !* 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 0.0 319 6 D E 0 0 69 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 166.8 0.6 3.9 8.9 320 7 D L E -m 346 0D 0 25,-2.4 27,-2.7 245,-0.1 2,-0.7 -0.997 360.0-149.7-136.2 123.8 -1.2 7.1 8.1 321 8 D N E -m 347 0D 23 -2,-0.4 49,-3.1 47,-0.3 50,-1.8 -0.842 17.2-168.7-104.2 111.4 -3.4 9.0 10.6 322 9 D I E -mn 348 371D 0 25,-2.8 27,-2.8 -2,-0.7 2,-0.6 -0.884 14.0-165.7-106.1 125.4 -6.3 10.9 9.0 323 10 D Y E -mn 349 372D 3 48,-2.8 50,-2.3 -2,-0.5 2,-0.4 -0.965 25.5-175.4-102.3 115.1 -8.4 13.4 10.8 324 11 D S E -mn 350 373D 0 25,-3.4 27,-1.7 -2,-0.6 50,-0.2 -0.952 36.8-176.6-124.7 130.1 -11.5 13.9 8.5 325 12 D A + 0 0 11 48,-2.9 28,-0.2 -2,-0.4 49,-0.2 0.300 61.9 108.9 -97.5 5.0 -14.5 16.2 8.6 326 13 D R - 0 0 2 47,-0.3 25,-0.2 48,-0.1 -2,-0.1 -0.283 53.5-163.5 -68.2 167.9 -15.9 14.5 5.5 327 14 D H + 0 0 70 23,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.245 37.6 125.5-156.2 47.5 -18.9 12.3 6.3 328 15 D Y > - 0 0 7 1,-0.1 3,-1.3 0, 0.0 4,-0.3 -0.972 55.4-145.9-128.6 131.8 -19.5 9.9 3.4 329 16 D N T >> S+ 0 0 123 -2,-0.4 3,-1.4 1,-0.3 4,-0.6 0.829 99.2 70.4 -59.3 -30.6 -19.7 6.2 3.1 330 17 D A H >> S+ 0 0 6 1,-0.3 4,-1.1 255,-0.2 3,-0.6 0.781 86.1 67.2 -60.8 -28.3 -18.0 6.4 -0.3 331 18 D D H <> S+ 0 0 10 -3,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.710 87.2 64.6 -67.2 -26.5 -14.7 7.3 1.4 332 19 D F H <> S+ 0 0 106 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.833 101.4 50.0 -74.1 -25.3 -14.1 4.0 3.1 333 20 D E H - 0 0 153 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.384 49.4-118.7 -62.2 145.5 -17.0 17.8 13.1 353 40 D A H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 113.3 53.7 -53.8 -48.8 -14.4 20.2 11.7 354 41 D S H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 110.9 48.8 -57.3 -39.5 -14.5 22.6 14.6 355 42 D E H > S+ 0 0 72 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 112.0 46.5 -64.1 -46.5 -13.8 19.6 16.9 356 43 D L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.884 111.9 51.4 -64.0 -40.1 -10.9 18.4 14.8 357 44 D I H X S+ 0 0 13 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.902 111.1 47.2 -65.1 -42.1 -9.4 21.8 14.5 358 45 D K H X S+ 0 0 129 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.938 112.8 50.6 -62.7 -45.8 -9.5 22.3 18.3 359 46 D R H X S+ 0 0 21 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 109.5 49.5 -58.9 -47.1 -8.0 18.9 18.7 360 47 D L H X S+ 0 0 6 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.895 112.5 48.4 -59.8 -41.7 -5.1 19.6 16.3 361 48 D S H < S+ 0 0 44 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.956 117.1 40.3 -64.2 -47.7 -4.4 22.9 18.1 362 49 D L H < S+ 0 0 49 -4,-2.8 -155,-0.2 1,-0.2 -2,-0.2 0.817 110.4 58.2 -74.5 -27.5 -4.4 21.4 21.6 363 50 D E H >< S- 0 0 28 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.797 87.5-175.9 -76.4 -27.3 -2.5 18.2 20.6 364 51 D G G >< - 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