==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-98 1A2Q . COMPND 2 MOLECULE: SUBTILISIN BPN'; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR G.L.GILLILAND,M.WHITLOW,A.J.HOWARD . 275 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 . 3 1.1 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 121 0, 0.0 2,-0.4 0, 0.0 79,-0.4 0.000 360.0 360.0 360.0 158.3 -10.1 60.5 32.4 2 2 A Q - 0 0 44 77,-0.2 2,-0.3 75,-0.2 79,-0.2 -0.750 360.0-158.0 -94.2 136.2 -6.6 59.2 31.4 3 3 A S - 0 0 78 77,-2.8 79,-0.2 -2,-0.4 76,-0.0 -0.871 12.9-136.3-110.6 146.9 -4.1 58.2 34.1 4 4 A V - 0 0 69 -2,-0.3 79,-0.1 77,-0.2 77,-0.1 -0.944 26.2-127.3-105.7 115.1 -0.3 58.0 33.6 5 5 A P >> - 0 0 20 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.323 23.2-116.5 -57.5 138.6 1.0 54.8 35.3 6 6 A Y H 3> S+ 0 0 73 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.797 111.9 61.6 -46.7 -42.3 3.9 55.8 37.6 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.770 97.2 56.3 -60.1 -36.5 6.4 53.7 35.6 8 8 A V H <4>S+ 0 0 3 -3,-1.2 5,-1.7 1,-0.2 3,-0.3 0.925 113.8 40.2 -62.9 -46.5 5.9 55.9 32.4 9 9 A S H ><5S+ 0 0 63 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.854 107.9 63.7 -67.0 -38.7 6.8 59.0 34.4 10 10 A Q H 3<5S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 105.9 44.1 -58.1 -38.3 9.6 57.2 36.2 11 11 A I T 3<5S- 0 0 0 -4,-1.4 259,-2.2 -3,-0.3 260,-0.5 0.363 115.6-116.8 -84.5 -2.8 11.4 56.6 33.0 12 12 A K T X>5 + 0 0 85 -3,-1.5 4,-0.7 -4,-0.2 3,-0.7 0.676 65.2 144.4 69.8 29.9 10.8 60.2 31.8 13 13 A A H >>< + 0 0 0 -5,-1.7 4,-1.6 1,-0.2 3,-1.0 0.890 62.5 63.9 -59.6 -42.6 8.7 59.3 28.8 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.788 92.2 63.6 -59.6 -28.4 6.4 62.3 29.1 15 15 A A H <> S+ 0 0 30 -3,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.907 107.7 43.4 -61.7 -42.4 9.2 64.8 28.5 16 16 A L H X<>S+ 0 0 3 -3,-1.0 5,-2.6 -4,-0.7 3,-0.8 0.831 108.9 56.6 -69.5 -37.4 9.6 63.3 25.1 17 17 A H H ><5S+ 0 0 36 -4,-1.6 3,-1.7 1,-0.3 -2,-0.2 0.900 102.8 56.3 -58.9 -41.4 5.8 63.2 24.5 18 18 A S H 3<5S+ 0 0 111 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.704 104.1 54.1 -59.2 -31.0 5.8 66.9 25.1 19 19 A Q T <<5S- 0 0 116 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.448 125.5 -99.1 -79.5 -16.0 8.3 67.4 22.4 20 20 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.6 -4,-0.4 -3,-0.2 0.596 84.6 128.4 102.0 12.7 6.2 65.6 19.8 21 21 A Y < + 0 0 71 -5,-2.6 -1,-0.3 1,-0.1 -2,-0.2 -0.920 11.3 140.1-105.3 115.1 8.1 62.3 20.1 22 22 A a S S- 0 0 22 -2,-0.6 65,-2.3 63,-0.1 66,-0.5 0.228 76.7 -90.2-138.8 15.4 5.7 59.4 20.7 23 23 A G > + 0 0 0 210,-0.3 3,-2.0 1,-0.2 66,-0.4 0.651 59.4 179.0 84.4 20.5 7.2 56.5 18.6 24 24 A S T 3 + 0 0 54 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.279 68.2 9.4 -58.7 137.2 5.2 57.3 15.3 25 25 A N T 3 S+ 0 0 145 62,-0.7 2,-0.5 1,-0.2 -1,-0.3 0.500 95.1 127.5 71.8 12.4 6.1 54.9 12.5 26 26 A V < - 0 0 8 -3,-2.0 63,-2.8 61,-0.1 2,-0.6 -0.887 54.0-140.6-101.7 127.4 8.1 52.6 14.7 27 27 A K E -a 89 0A 71 -2,-0.5 93,-2.4 91,-0.2 94,-1.9 -0.797 21.1-176.2 -95.3 116.8 7.0 48.9 14.5 28 28 A V E -ab 90 121A 0 61,-2.7 63,-2.5 -2,-0.6 2,-0.5 -0.987 11.2-154.5-114.1 125.4 7.0 47.1 17.8 29 29 A A E -ab 91 122A 0 92,-2.6 94,-2.8 -2,-0.5 2,-0.8 -0.839 3.1-155.6-102.6 124.9 6.2 43.4 18.1 30 30 A V E -ab 92 123A 1 61,-3.1 63,-2.4 -2,-0.5 2,-1.0 -0.921 9.5-161.2 -97.9 105.9 4.8 42.1 21.4 31 31 A I E +ab 93 124A 0 92,-2.6 94,-0.6 -2,-0.8 2,-0.2 -0.810 53.7 87.4 -93.9 99.9 5.8 38.4 21.3 32 32 A D E S-a 94 0A 2 61,-2.1 63,-3.1 -2,-1.0 64,-1.0 -0.633 95.1 -34.5-163.9-146.8 3.4 37.1 23.9 33 33 A S S S- 0 0 1 1,-0.3 29,-0.4 61,-0.2 28,-0.3 0.329 93.8 -92.4 -85.2 9.6 -0.2 35.8 24.4 34 34 A G - 0 0 1 59,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.467 40.6 -96.6 105.5-178.7 -1.7 38.0 21.7 35 35 A I - 0 0 0 22,-1.7 2,-1.2 -2,-0.2 57,-0.1 -0.993 25.4-119.4-141.2 129.3 -3.3 41.5 22.1 36 36 A D > - 0 0 21 -2,-0.4 3,-1.6 1,-0.2 23,-0.2 -0.551 26.9-169.3 -69.2 100.3 -7.1 42.2 22.5 37 37 A S T 3 S+ 0 0 57 -2,-1.2 7,-0.3 21,-1.1 -1,-0.2 0.696 79.1 67.7 -68.7 -11.6 -7.5 44.4 19.4 38 38 A S T 3 S+ 0 0 88 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.509 70.8 117.3 -84.6 -8.3 -11.0 45.4 20.6 39 39 A H X - 0 0 2 -3,-1.6 3,-1.7 1,-0.1 169,-0.0 -0.449 64.5-141.8 -66.1 125.5 -9.6 47.4 23.6 40 40 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.699 98.4 55.1 -60.8 -24.2 -10.5 51.0 23.2 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.9 36,-0.0 2,-0.3 0.279 102.2 69.6 -95.5 11.4 -7.1 52.2 24.5 42 42 A L < - 0 0 9 -3,-1.7 2,-0.5 32,-0.2 32,-0.1 -0.951 57.1-161.2-129.3 149.2 -5.1 50.2 22.0 43 43 A K - 0 0 155 -2,-0.3 47,-0.7 30,-0.3 2,-0.6 -0.931 14.2-165.4-126.8 103.3 -4.5 50.4 18.2 44 44 A V E -c 90 0A 25 -2,-0.5 47,-0.2 -7,-0.3 3,-0.1 -0.845 6.6-172.6 -93.6 124.0 -3.2 47.1 16.8 45 45 A A E - 0 0 61 45,-2.5 2,-0.3 -2,-0.6 46,-0.2 0.681 58.5 -49.9 -83.6 -27.4 -1.7 47.4 13.3 46 46 A G E +c 91 0A 15 44,-1.1 46,-2.1 11,-0.0 2,-0.3 -0.965 58.5 156.6 177.3-163.3 -1.1 43.7 12.5 47 47 A G E -c 92 0A 25 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.961 25.7-115.3 143.0-175.8 0.4 40.5 13.7 48 48 A A E -c 93 0A 18 44,-2.2 46,-2.4 -2,-0.3 2,-0.5 -0.957 13.7-127.2-157.7 151.8 0.3 36.8 13.5 49 49 A S E +c 94 0A 30 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.944 16.2 179.1-112.7 129.8 -0.4 33.7 15.5 50 50 A M + 0 0 36 44,-3.3 45,-0.2 -2,-0.5 5,-0.1 0.317 56.1 103.5-101.2 -0.0 2.2 30.9 15.8 51 51 A V > - 0 0 3 3,-0.5 3,-1.0 43,-0.4 45,-0.1 -0.822 64.1-150.2 -91.6 121.1 -0.1 28.8 18.1 52 52 A P T 3 S+ 0 0 94 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.846 95.0 43.3 -62.1 -37.5 -1.6 25.9 16.1 53 53 A S T 3 S+ 0 0 100 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.436 114.2 51.6 -88.2 -1.4 -4.8 25.7 18.2 54 54 A E < + 0 0 37 -3,-1.0 -3,-0.5 1,-0.1 -1,-0.2 -0.742 60.4 171.2-137.1 86.9 -5.3 29.5 18.5 55 55 A T + 0 0 123 -2,-0.3 -6,-0.3 -3,-0.2 -1,-0.1 0.487 56.1 80.5 -77.0 -9.2 -5.3 31.1 15.0 56 56 A N > - 0 0 63 1,-0.1 3,-1.0 -8,-0.1 -8,-0.1 -0.898 55.3-169.0-104.4 116.5 -6.4 34.6 15.9 57 57 A P T 3 S+ 0 0 14 0, 0.0 -22,-1.7 0, 0.0 -1,-0.1 0.642 83.5 67.0 -75.7 -12.6 -3.6 36.8 17.3 58 58 A F T 3 S+ 0 0 61 -24,-0.2 -21,-1.1 -22,-0.1 2,-0.5 0.207 83.2 81.0 -95.0 9.4 -6.1 39.4 18.3 59 59 A Q < - 0 0 110 -3,-1.0 2,-0.7 -23,-0.2 -23,-0.1 -0.992 61.4-168.4-117.0 117.7 -7.8 37.3 20.9 60 60 A D + 0 0 10 -2,-0.5 -26,-0.1 1,-0.1 -24,-0.1 -0.892 16.1 168.8-114.0 99.9 -5.9 37.2 24.2 61 61 A N S S+ 0 0 95 -2,-0.7 -1,-0.1 -28,-0.3 -27,-0.1 0.569 80.5 50.6 -81.6 -14.1 -7.3 34.5 26.5 62 62 A N S S- 0 0 33 -29,-0.4 -1,-0.2 34,-0.1 -28,-0.1 0.914 89.6-145.5 -92.3 -49.2 -4.3 34.9 28.8 63 63 A S S > S+ 0 0 18 -30,-0.1 4,-1.5 -29,-0.1 5,-0.1 0.001 73.9 95.7 103.4 -20.4 -4.3 38.7 29.4 64 64 A H H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 80.8 52.3 -65.8 -45.3 -0.5 39.2 29.7 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 110.6 48.7 -58.0 -40.0 0.1 40.2 26.1 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 142,-0.4 0.863 111.6 50.7 -67.1 -40.5 -2.6 42.9 26.3 67 67 A H H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 141,-0.4 0.969 112.3 44.8 -63.5 -46.6 -1.1 44.2 29.5 68 68 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.873 111.9 54.6 -59.7 -45.9 2.5 44.4 28.1 69 69 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.858 104.4 53.3 -61.5 -35.9 1.1 46.0 24.9 70 70 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 138,-0.3 -1,-0.2 0.812 106.7 52.7 -67.9 -34.8 -0.6 48.7 26.9 71 71 A T H < S+ 0 0 7 -4,-1.4 13,-2.5 2,-0.2 14,-0.2 0.926 114.9 42.4 -65.9 -43.8 2.7 49.5 28.6 72 72 A V H < S- 0 0 0 -4,-2.1 13,-3.0 11,-0.2 -2,-0.2 0.938 139.4 -4.7 -61.3 -55.5 4.3 49.9 25.2 73 73 A A H < + 0 0 3 -4,-3.2 -30,-0.3 10,-0.2 -3,-0.2 0.164 64.4 159.2-145.8 38.7 1.6 51.8 23.5 74 74 A A < - 0 0 0 -4,-2.1 9,-2.9 1,-0.1 -32,-0.2 -0.317 56.5 -99.0 -60.6 134.4 -1.8 52.5 25.3 75 75 A L - 0 0 49 -34,-2.9 2,-0.8 7,-0.2 4,-0.2 -0.243 21.3-121.0 -63.7 151.2 -3.2 55.5 23.3 76 76 A N S S+ 0 0 109 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.795 70.2 105.3 -90.8 108.8 -2.9 59.1 24.4 77 77 A N S S- 0 0 61 -2,-0.8 -75,-0.2 2,-0.3 -36,-0.0 -0.687 87.4 -68.2-158.7-153.3 -6.6 60.1 24.7 78 78 A S S S+ 0 0 89 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.290 103.3 71.3-106.8 15.3 -9.1 60.8 27.5 79 79 A I S S- 0 0 63 -4,-0.2 -2,-0.3 2,-0.2 -77,-0.2 -0.860 91.2 -22.1-130.2 163.6 -9.4 57.3 28.7 80 80 A G S S- 0 0 15 -79,-0.4 -77,-2.8 -2,-0.3 2,-0.1 -0.194 94.2 -29.8 52.9-122.2 -7.5 54.6 30.5 81 81 A V - 0 0 8 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.3 -0.412 53.6-112.8-119.0-170.3 -3.7 54.7 30.7 82 82 A L - 0 0 11 -79,-0.2 -7,-0.2 -2,-0.1 -74,-0.1 -0.994 21.5-139.9-133.7 132.9 -0.8 56.0 28.6 83 83 A G - 0 0 0 -9,-2.9 -11,-0.2 -2,-0.4 -10,-0.2 -0.272 25.0-115.8 -84.3 170.0 1.9 53.9 26.9 84 84 A V S S+ 0 0 0 -13,-2.5 -11,-0.2 1,-0.3 -12,-0.2 0.886 117.4 22.4 -68.9 -39.0 5.6 54.8 26.7 85 85 A A S > S+ 0 0 0 -13,-3.0 3,-2.0 -14,-0.2 -1,-0.3 -0.735 76.6 176.8-130.8 73.3 5.3 55.2 22.9 86 86 A P T 3 S+ 0 0 6 0, 0.0 -10,-0.2 0, 0.0 -63,-0.2 0.637 77.9 49.5 -57.5 -17.3 1.6 55.9 22.4 87 87 A a T 3 S+ 0 0 56 -65,-2.3 -62,-0.7 -12,-0.1 -64,-0.2 0.290 82.6 123.4-103.0 2.7 2.0 56.4 18.6 88 88 A A S < S- 0 0 11 -3,-2.0 2,-0.8 -66,-0.5 -61,-0.2 -0.304 70.6-112.1 -63.6 155.5 3.9 53.2 17.9 89 89 A S E -a 27 0A 35 -63,-2.8 -61,-2.7 -66,-0.4 2,-0.4 -0.822 39.8-149.2 -93.5 113.0 2.6 50.6 15.4 90 90 A L E -ac 28 44A 1 -2,-0.8 -45,-2.5 -47,-0.7 -44,-1.1 -0.690 14.1-167.6 -95.1 128.7 1.8 47.7 17.5 91 91 A Y E -ac 29 46A 38 -63,-2.5 -61,-3.1 -2,-0.4 2,-0.7 -0.973 13.5-146.1-119.9 126.9 2.0 44.1 16.4 92 92 A A E -ac 30 47A 0 -46,-2.1 -44,-2.2 -2,-0.4 2,-0.7 -0.796 16.4-179.0 -89.9 114.4 0.5 41.1 18.2 93 93 A V E -ac 31 48A 0 -63,-2.4 -61,-2.1 -2,-0.7 2,-0.6 -0.919 17.0-155.4-114.5 99.3 2.8 38.0 17.7 94 94 A K E +ac 32 49A 4 -46,-2.4 -44,-3.3 -2,-0.7 -43,-0.4 -0.696 35.6 146.8 -85.2 120.3 0.9 35.3 19.6 95 95 A V + 0 0 0 -63,-3.1 2,-0.4 -2,-0.6 -62,-0.2 0.306 55.1 68.6-132.4 1.1 3.2 32.5 20.7 96 96 A L S S- 0 0 19 -64,-1.0 6,-0.2 6,-0.1 -45,-0.1 -0.940 73.5-130.3-123.0 145.9 1.6 31.4 24.0 97 97 A G > - 0 0 7 4,-3.0 3,-2.7 -2,-0.4 -2,-0.1 -0.208 42.9 -82.6 -86.0-179.6 -1.7 29.7 24.6 98 98 A A T 3 S+ 0 0 45 1,-0.3 -65,-0.0 2,-0.2 -1,-0.0 0.761 130.5 58.4 -56.9 -31.7 -4.5 30.7 27.0 99 99 A D T 3 S- 0 0 125 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.388 117.9-113.7 -81.1 0.2 -2.6 28.9 29.8 100 100 A G S < S+ 0 0 32 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.598 79.3 118.6 75.6 14.7 0.4 31.2 29.1 101 101 A S + 0 0 62 -68,-0.0 -4,-3.0 0, 0.0 2,-0.3 -0.799 35.8 173.6-109.7 159.6 2.6 28.3 27.9 102 102 A G - 0 0 24 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.985 31.3-109.9-159.2 154.8 4.2 27.9 24.5 103 103 A Q > - 0 0 119 -2,-0.3 4,-2.0 -8,-0.2 3,-0.3 -0.515 30.3-120.9 -83.6 149.9 6.6 25.6 22.7 104 104 A Y H > S+ 0 0 74 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.909 113.5 60.4 -59.4 -38.2 10.0 26.9 21.7 105 105 A S H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 104.9 49.7 -59.4 -37.0 9.3 26.3 18.1 106 106 A W H > S+ 0 0 53 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.912 111.9 46.8 -68.9 -43.4 6.4 28.7 18.4 107 107 A I H X S+ 0 0 15 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.932 114.0 47.5 -61.0 -49.5 8.5 31.4 20.0 108 108 A I H X S+ 0 0 23 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.877 109.2 53.9 -61.1 -42.0 11.2 31.0 17.4 109 109 A N H X S+ 0 0 88 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.884 107.8 51.6 -56.8 -41.8 8.7 31.1 14.6 110 110 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.866 108.5 49.9 -66.3 -38.3 7.4 34.4 16.0 111 111 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.947 111.5 49.3 -64.8 -45.2 10.9 35.9 16.1 112 112 A E H X S+ 0 0 72 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 110.0 52.2 -58.5 -38.2 11.4 34.8 12.5 113 113 A W H X S+ 0 0 49 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.921 107.3 52.1 -61.5 -47.7 8.1 36.4 11.7 114 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -1,-0.2 0.874 110.5 47.1 -56.8 -41.5 9.2 39.6 13.3 115 115 A I H ><5S+ 0 0 18 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.947 112.1 49.8 -65.1 -49.1 12.4 39.8 11.2 116 116 A A H 3<5S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.774 111.5 50.0 -60.4 -31.4 10.6 39.0 8.0 117 117 A N T 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.147 113.6-115.7 -95.8 10.8 8.0 41.7 8.7 118 118 A N T < 5 - 0 0 118 -3,-1.4 -91,-0.2 1,-0.1 -3,-0.2 0.887 43.1-178.9 59.3 46.7 10.6 44.4 9.4 119 119 A M < - 0 0 3 -5,-2.4 -91,-0.2 1,-0.1 -1,-0.1 -0.542 18.7-155.5 -71.8 144.7 9.8 45.0 13.1 120 120 A D S S+ 0 0 58 -93,-2.4 28,-2.4 1,-0.3 2,-0.4 0.724 78.5 24.3 -86.8 -38.3 12.0 47.8 14.5 121 121 A V E -bd 28 148A 0 -94,-1.9 -92,-2.6 26,-0.2 2,-0.4 -0.999 66.2-158.7-131.7 135.2 11.7 46.6 18.1 122 122 A I E -bd 29 149A 0 26,-2.9 28,-2.6 -2,-0.4 2,-0.5 -0.974 5.0-162.0-112.9 135.0 10.9 43.1 19.6 123 123 A N E -bd 30 150A 0 -94,-2.8 -92,-2.6 -2,-0.4 2,-0.5 -0.971 7.3-177.7-114.4 121.1 9.6 42.7 23.2 124 124 A M E +bd 31 151A 0 26,-2.9 28,-1.9 -2,-0.5 2,-1.5 -0.813 8.2 176.8-120.6 95.4 9.8 39.2 24.7 125 125 A S + 0 0 6 -94,-0.6 2,-0.3 -2,-0.5 96,-0.1 -0.469 57.5 93.4 -92.3 58.5 8.3 39.2 28.2 126 126 A L + 0 0 15 -2,-1.5 2,-0.3 26,-0.1 26,-0.3 -0.971 49.5 177.6-147.4 158.8 9.0 35.5 28.4 127 127 A G - 0 0 40 -2,-0.3 26,-0.1 41,-0.1 27,-0.1 -0.985 10.9-167.8-168.7 151.0 11.8 33.3 29.7 128 128 A G B -J 167 0B 10 39,-1.8 39,-3.0 -2,-0.3 -2,-0.0 -0.949 33.4-120.0-140.6 158.4 12.9 29.8 30.2 129 129 A P S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.666 96.3 47.3 -75.2 -18.7 15.7 28.2 32.2 130 130 A S - 0 0 76 37,-0.1 37,-0.2 36,-0.0 2,-0.2 -0.885 65.8-159.9-126.5 154.3 17.3 26.7 29.0 131 131 A G - 0 0 28 -2,-0.3 2,-0.3 35,-0.1 3,-0.1 -0.405 7.5-146.5-112.7-163.6 18.2 27.9 25.6 132 132 A S > - 0 0 46 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.944 31.3-108.4-161.7 161.2 18.8 26.2 22.2 133 133 A A H > S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.834 121.4 52.4 -63.4 -36.3 21.0 26.9 19.2 134 134 A A H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.804 107.8 49.6 -69.1 -37.5 17.9 27.8 17.3 135 135 A L H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 114.4 45.3 -67.8 -43.7 16.8 30.3 19.9 136 136 A K H X S+ 0 0 82 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 111.2 53.5 -63.2 -44.0 20.2 32.0 19.9 137 137 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 109.1 48.9 -58.9 -41.8 20.3 31.9 16.1 138 138 A A H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.870 113.7 43.8 -65.6 -49.8 17.0 33.7 15.8 139 139 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.884 114.7 51.2 -63.3 -40.3 17.8 36.5 18.3 140 140 A D H X S+ 0 0 52 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.898 110.2 48.5 -63.4 -41.2 21.3 36.9 16.7 141 141 A K H X S+ 0 0 99 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.866 109.3 53.3 -65.4 -41.8 19.8 37.2 13.2 142 142 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 3,-0.7 0.960 111.9 44.9 -59.4 -48.4 17.2 39.8 14.4 143 143 A V H ><5S+ 0 0 36 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.891 111.8 52.0 -63.8 -40.0 20.0 41.9 15.9 144 144 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.707 107.0 55.1 -67.1 -20.7 22.2 41.4 12.7 145 145 A S T <<5S- 0 0 74 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.311 127.7-100.7 -94.5 6.2 19.1 42.6 10.7 146 146 A G T < 5S+ 0 0 41 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.589 73.4 143.9 87.1 15.6 19.0 45.8 12.8 147 147 A V < - 0 0 7 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.657 49.5-131.7 -89.3 138.5 16.2 44.9 15.2 148 148 A V E -d 121 0A 5 -28,-2.4 -26,-2.9 -2,-0.3 2,-0.5 -0.826 27.0-159.9 -85.6 121.8 16.3 46.1 18.9 149 149 A V E -d 122 0A 3 -2,-0.6 26,-2.6 24,-0.4 2,-0.4 -0.961 10.9-176.8-112.6 121.5 15.6 42.9 20.9 150 150 A V E +de 123 175A 0 -28,-2.6 -26,-2.9 -2,-0.5 2,-0.3 -0.950 2.9 178.7-121.0 133.8 14.3 43.4 24.5 151 151 A A E -de 124 176A 0 24,-3.1 26,-2.3 -2,-0.4 2,-0.2 -0.978 33.8-108.9-138.1 151.9 13.6 40.6 27.0 152 152 A A E - e 0 177A 1 -28,-1.9 17,-0.4 -2,-0.3 26,-0.2 -0.541 27.9-137.7 -76.0 137.3 12.4 40.2 30.7 153 153 A A - 0 0 0 24,-2.7 13,-2.8 -2,-0.2 2,-0.2 0.802 51.0-102.1 -66.5 -34.1 15.4 39.0 32.8 154 154 A G - 0 0 6 23,-0.4 37,-2.2 11,-0.2 -1,-0.2 -0.498 16.0-102.3 125.3 163.0 13.2 36.5 34.6 155 155 A N S S+ 0 0 47 35,-0.2 35,-0.2 -2,-0.2 -1,-0.1 -0.164 77.9 114.6-114.4 41.4 11.5 36.3 38.0 156 156 A E - 0 0 136 8,-0.3 34,-0.2 1,-0.2 -1,-0.1 0.490 54.7-158.9 -92.4 -6.6 13.9 33.9 39.8 157 157 A G - 0 0 8 32,-2.1 35,-0.7 -3,-0.2 2,-0.2 -0.229 48.3 -20.2 62.2-149.5 15.4 36.2 42.5 158 158 A T - 0 0 81 30,-0.3 5,-0.1 33,-0.1 3,-0.1 -0.614 46.3-176.0 -95.3 152.9 18.7 35.2 44.0 159 159 A S > - 0 0 70 3,-0.5 3,-2.1 -2,-0.2 2,-0.9 -0.516 58.5 -80.6-145.2 74.5 20.5 31.8 44.0 160 160 A G T 3 S- 0 0 77 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.529 101.6 -30.5 70.8-107.9 23.7 32.0 46.0 161 161 A S T 3 S+ 0 0 107 -2,-0.9 -1,-0.3 -3,-0.1 2,-0.2 0.160 111.0 113.4-123.6 9.9 26.2 33.5 43.6 162 162 A S S < S- 0 0 70 -3,-2.1 -3,-0.5 1,-0.1 2,-0.3 -0.519 72.3-105.9 -86.6 156.4 24.8 32.2 40.4 163 163 A S - 0 0 35 -2,-0.2 30,-0.3 1,-0.1 -1,-0.1 -0.606 27.0-174.5 -78.1 129.7 23.1 34.1 37.5 164 164 A T + 0 0 21 28,-3.3 -8,-0.3 -2,-0.3 2,-0.3 0.230 39.5 129.7-110.6 16.6 19.3 33.5 37.5 165 165 A V - 0 0 3 27,-0.7 -11,-0.2 26,-0.1 -12,-0.1 -0.523 48.9-144.9 -70.3 131.2 18.7 35.4 34.2 166 166 A G > - 0 0 11 -13,-2.8 4,-1.9 -2,-0.3 -1,-0.1 -0.158 29.5 -54.8 -89.2-177.1 16.6 33.2 31.8 167 167 A Y B 4 S+J 128 0B 58 -39,-3.0 -39,-1.8 1,-0.3 -37,-0.1 -0.835 113.6 19.9-105.8 145.6 16.7 32.8 28.1 168 168 A P T >4 S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.989 121.7 60.1 -81.9 -0.6 16.6 34.6 25.7 169 169 A A T 34 S+ 0 0 1 -17,-0.4 -2,-0.3 -43,-0.3 5,-0.1 0.805 96.1 67.2 -51.0 -37.4 17.5 37.5 28.0 170 170 A K T 3< S+ 0 0 49 -4,-1.9 -1,-0.3 -17,-0.1 -3,-0.1 0.620 79.3 96.4 -58.7 -27.1 20.8 35.6 28.8 171 171 A Y S X S- 0 0 24 -3,-1.7 3,-1.6 1,-0.1 5,-0.0 -0.486 79.5-128.9 -71.9 137.2 22.2 36.0 25.3 172 172 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.800 105.0 59.6 -55.0 -35.2 24.5 38.9 24.7 173 173 A S T 3 S+ 0 0 22 -37,-0.1 2,-0.4 2,-0.1 -24,-0.4 0.698 96.5 76.9 -72.1 -13.5 22.6 40.2 21.7 174 174 A V S < S- 0 0 0 -3,-1.6 2,-0.5 -6,-0.3 -24,-0.2 -0.798 82.2-125.9-100.7 138.7 19.4 40.7 23.8 175 175 A I E -e 150 0A 6 -26,-2.6 -24,-3.1 -2,-0.4 2,-0.5 -0.680 27.1-149.5 -83.0 124.5 18.8 43.5 26.3 176 176 A A E -e 151 0A 0 -2,-0.5 22,-2.0 19,-0.5 21,-1.8 -0.801 9.7-157.3-102.8 125.4 17.9 41.9 29.6 177 177 A V E -ef 152 198A 0 -26,-2.3 -24,-2.7 -2,-0.5 -23,-0.4 -0.899 8.4-171.2-114.4 125.4 15.5 43.9 31.8 178 178 A G E - f 0 199A 0 20,-2.5 22,-1.7 -2,-0.5 2,-0.4 -0.431 25.9-107.9-105.1 170.4 15.1 43.6 35.6 179 179 A A E + f 0 200A 0 20,-0.2 8,-2.6 8,-0.2 2,-0.3 -0.928 28.2 178.6-114.4 134.2 12.5 45.2 37.8 180 180 A V E -Gf 186 201A 0 20,-1.8 22,-2.5 -2,-0.4 23,-0.7 -0.784 23.7-127.5-113.9 165.4 12.5 48.0 40.3 181 181 A D > - 0 0 45 4,-2.3 3,-1.7 -2,-0.3 23,-0.1 -0.316 46.6 -80.5 -95.8-172.6 9.6 49.5 42.3 182 182 A S T 3 S+ 0 0 87 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.717 130.8 56.5 -66.1 -23.2 8.6 53.2 42.5 183 183 A S T 3 S- 0 0 86 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 118.3-109.8 -89.0 3.6 11.4 53.8 45.1 184 184 A N S < S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.625 73.1 140.6 75.6 15.3 14.1 52.4 42.7 185 185 A Q - 0 0 104 72,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.747 60.8-106.8 -88.4 144.6 14.6 49.4 44.8 186 186 A R B -G 180 0A 39 -2,-0.4 -6,-0.3 -6,-0.2 2,-0.1 -0.486 35.5-115.6 -67.9 134.5 15.1 46.0 43.1 187 187 A A > - 0 0 9 -8,-2.6 3,-1.3 -2,-0.2 -8,-0.2 -0.463 22.5-123.6 -68.6 141.8 12.0 43.8 43.3 188 188 A S T 3 S+ 0 0 100 1,-0.3 -30,-0.3 -2,-0.1 -1,-0.1 0.789 110.1 53.2 -59.4 -28.2 12.8 40.7 45.3 189 189 A F T 3 S+ 0 0 57 -32,-0.1 -32,-2.1 -33,-0.1 -1,-0.3 0.658 80.3 118.2 -77.9 -22.2 11.7 38.4 42.5 190 190 A S < - 0 0 0 -3,-1.3 -35,-0.2 -11,-0.2 -12,-0.1 -0.319 68.7-119.0 -57.3 127.7 13.9 40.1 39.8 191 191 A S - 0 0 0 -37,-2.2 2,-0.3 -14,-0.2 -33,-0.1 -0.253 31.4-154.7 -60.4 153.3 16.5 37.8 38.3 192 192 A V + 0 0 1 -35,-0.7 -28,-3.3 -30,-0.2 -27,-0.7 -0.908 30.9 107.3-131.9 162.5 20.2 38.7 38.8 193 193 A G S > S- 0 0 0 68,-2.4 3,-1.5 -2,-0.3 71,-0.2 -0.805 76.4 -74.7 150.2 168.5 23.5 38.0 37.0 194 194 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.683 121.7 66.8 -64.5 -20.8 26.2 39.6 34.9 195 195 A E T 3 S+ 0 0 53 66,-0.1 -19,-0.5 -3,-0.1 2,-0.2 0.608 72.1 111.3 -81.0 -9.1 23.8 39.4 31.9 196 196 A L < + 0 0 2 -3,-1.5 -19,-0.1 1,-0.2 67,-0.1 -0.424 40.5 175.4 -66.2 127.1 21.4 42.0 33.5 197 197 A D - 0 0 10 -21,-1.8 68,-3.6 1,-0.3 2,-0.3 0.887 52.6 -5.0 -97.6 -56.5 21.5 45.2 31.4 198 198 A V E -f 177 0A 1 -22,-2.0 -20,-2.5 66,-0.2 -1,-0.3 -0.918 56.2-129.1-141.3 168.1 19.0 47.7 32.7 199 199 A M E +fh 178 267A 0 67,-2.7 69,-1.9 -2,-0.3 -20,-0.2 -0.862 23.3 172.8-118.2 154.2 16.1 48.1 35.2 200 200 A A E -f 179 0A 0 -22,-1.7 -20,-1.8 -2,-0.3 23,-0.1 -0.942 47.5 -72.6-151.8 162.8 12.6 49.4 34.6 201 201 A P E +f 180 0A 0 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.314 55.7 155.2 -61.0 132.4 9.5 49.7 36.8 202 202 A G + 0 0 0 -22,-2.5 17,-2.6 21,-0.1 2,-0.5 0.210 37.4 97.5-145.6 14.1 7.9 46.2 37.3 203 203 A V S S- 0 0 42 -23,-0.7 15,-0.2 1,-0.2 -21,-0.1 -0.953 100.9 -15.6-116.9 127.6 5.9 46.3 40.5 204 204 A S S S- 0 0 67 -2,-0.5 2,-0.7 1,-0.2 14,-0.2 0.952 81.9-175.1 51.3 55.3 2.2 46.9 40.5 205 205 A I E -K 217 0C 2 12,-3.4 12,-1.9 -3,-0.2 2,-0.3 -0.811 14.8-144.7 -86.4 116.7 2.2 48.1 36.9 206 206 A Q E +K 216 0C 87 -2,-0.7 2,-0.3 10,-0.3 10,-0.3 -0.645 38.6 136.1 -79.3 136.4 -1.2 49.4 35.8 207 207 A S E -K 215 0C 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.2 -0.876 52.6 -55.0-161.8-173.9 -2.1 48.6 32.1 208 208 A T E -K 214 0C 0 -141,-0.4 6,-0.3 -142,-0.4 -138,-0.3 -0.488 42.7-169.9 -76.5 144.0 -4.8 47.4 29.7 209 209 A L E > -K 213 0C 26 4,-2.3 4,-2.0 -2,-0.2 3,-0.1 -0.946 36.8 -82.0-127.4 155.3 -6.5 44.1 30.2 210 210 A P T 4 S+ 0 0 29 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.096 108.9 38.0 -54.7 147.5 -8.9 42.3 27.7 211 211 A G T 4 S- 0 0 48 1,-0.1 -172,-0.0 2,-0.1 0, 0.0 0.889 133.4 -62.3 77.5 41.2 -12.6 43.3 27.7 212 212 A N T 4 S+ 0 0 94 1,-0.2 2,-0.3 -176,-0.1 -1,-0.1 0.932 102.0 131.6 50.6 51.4 -12.0 47.1 28.2 213 213 A K E < -K 209 0C 126 -4,-2.0 -4,-2.3 2,-0.0 2,-0.3 -0.773 43.4-153.9-123.1 172.4 -10.4 46.7 31.6 214 214 A Y E +K 208 0C 75 -6,-0.3 2,-0.3 -2,-0.3 -6,-0.2 -0.979 24.4 149.9-144.6 147.0 -7.3 47.9 33.4 215 215 A G E -K 207 0C 15 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.4 -0.973 40.2 -94.7-174.4 165.5 -5.3 46.3 36.2 216 216 A A E +K 206 0C 41 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.3 -0.772 31.3 178.9-100.6 139.9 -1.9 45.9 37.8 217 217 A Y E -K 205 0C 61 -12,-1.9 -12,-3.4 -2,-0.4 2,-0.4 -0.894 13.2-150.0-130.3 153.8 0.6 43.1 37.2 218 218 A S + 0 0 65 -2,-0.3 2,-0.2 -14,-0.2 -15,-0.2 -0.988 43.1 88.8-126.7 140.1 4.1 42.6 38.7 219 219 A G S >> S- 0 0 0 -17,-2.6 3,-1.5 -2,-0.4 4,-0.7 -0.761 84.5 -86.0 155.1 165.0 7.1 40.9 37.1 220 220 A T H 3> S+ 0 0 0 1,-0.3 4,-2.3 -2,-0.2 -67,-0.1 0.692 122.6 72.2 -68.0 -17.7 10.1 41.5 34.8 221 221 A X H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.2 -96,-0.1 0.754 99.1 44.8 -62.1 -32.4 7.5 40.9 32.1 222 222 A M H <4 S+ 0 0 1 -3,-1.5 4,-0.4 -20,-0.2 -1,-0.2 0.608 110.7 55.3 -82.7 -24.7 6.1 44.3 33.0 223 223 A A H >X S+ 0 0 0 -4,-0.7 3,-1.0 -21,-0.2 4,-0.9 0.922 97.9 61.9 -77.3 -43.2 9.5 45.9 33.1 224 224 A S H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.2 0.858 95.5 57.2 -54.1 -43.7 10.6 44.9 29.6 225 225 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.778 98.8 62.2 -66.2 -24.2 7.9 46.8 27.7 226 226 A H H <> S+ 0 0 2 -3,-1.0 4,-1.7 -4,-0.4 -2,-0.2 0.906 109.4 41.3 -64.1 -37.2 9.1 50.1 29.3 227 227 A V H < + 0 0 34 -4,-3.0 3,-1.5 -5,-0.1 -1,-0.2 -0.731 65.5 172.4-127.1 79.4 16.7 59.4 15.6 239 239 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.697 78.5 52.8 -63.5 -24.5 15.4 57.3 12.7 240 240 A N T 3 S+ 0 0 154 2,-0.0 -5,-0.1 0, 0.0 2,-0.0 0.456 79.4 114.3 -94.5 1.7 18.9 56.6 11.4 241 241 A W < - 0 0 55 -3,-1.5 2,-0.1 -7,-0.1 -3,-0.0 -0.372 66.0-126.6 -68.2 144.1 20.4 55.3 14.7 242 242 A T > - 0 0 69 1,-0.1 4,-2.2 -2,-0.0 3,-0.2 -0.474 26.0-104.6 -82.7 165.5 21.3 51.6 14.5 243 243 A N H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.802 124.3 57.8 -55.7 -35.6 20.0 49.1 17.1 244 244 A T H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.933 106.1 46.9 -60.6 -48.5 23.6 49.3 18.5 245 245 A Q H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.856 111.9 50.7 -61.9 -44.1 23.4 53.0 19.0 246 246 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.952 113.0 46.1 -60.3 -50.1 19.9 52.7 20.6 247 247 A R H X S+ 0 0 51 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 113.2 48.0 -56.8 -49.5 21.2 50.0 23.0 248 248 A S H X S+ 0 0 53 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.911 110.8 52.0 -62.0 -41.1 24.3 51.9 24.0 249 249 A S H X S+ 0 0 7 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.903 111.0 47.0 -62.1 -44.1 22.4 55.1 24.6 250 250 A L H < S+ 0 0 3 -4,-2.2 19,-0.3 1,-0.2 3,-0.3 0.852 117.7 42.1 -64.2 -41.5 19.9 53.4 26.9 251 251 A E H >< S+ 0 0 25 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.812 114.1 51.2 -74.7 -35.5 22.7 51.6 28.8 252 252 A N H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.472 109.7 47.0 -80.0 -13.0 25.0 54.7 29.0 253 253 A T T 3< S+ 0 0 39 -4,-0.8 -1,-0.2 -3,-0.3 19,-0.2 0.115 82.0 130.5-117.9 21.9 22.5 57.2 30.4 254 254 A T < - 0 0 21 -3,-0.6 2,-0.8 14,-0.1 14,-0.2 -0.224 67.4-110.5 -70.3 159.7 21.0 55.2 33.2 255 255 A T B -I 267 0A 63 12,-2.9 12,-2.2 0, 0.0 2,-0.1 -0.878 44.6-125.0 -87.5 115.4 20.5 56.4 36.7 256 256 A K + 0 0 180 -2,-0.8 10,-0.2 10,-0.2 9,-0.1 -0.441 37.8 170.9 -67.6 138.4 23.1 54.2 38.5 257 257 A L - 0 0 52 1,-0.5 -1,-0.1 7,-0.2 3,-0.1 0.260 45.5 -37.9-114.8-123.9 21.6 52.1 41.4 258 258 A G S S- 0 0 43 1,-0.3 -1,-0.5 -2,-0.1 5,-0.1 0.091 97.0 -24.6 -89.3-153.2 23.4 49.3 43.3 259 259 A D >> - 0 0 106 1,-0.1 3,-2.0 -3,-0.1 4,-1.9 -0.258 57.9-122.4 -60.9 144.3 25.8 46.6 42.0 260 260 A S H 3> S+ 0 0 74 1,-0.3 4,-1.7 2,-0.2 -67,-0.2 0.712 109.1 66.7 -60.9 -24.0 25.5 45.6 38.3 261 261 A F H 34 S+ 0 0 47 1,-0.2 -68,-2.4 2,-0.2 -1,-0.3 0.767 117.1 26.0 -66.0 -26.1 24.9 42.0 39.3 262 262 A Y H <4 S+ 0 0 77 -3,-2.0 -2,-0.2 -70,-0.2 -1,-0.2 0.642 140.8 20.3-108.1 -25.7 21.5 43.1 40.8 263 263 A Y H >< S- 0 0 26 -4,-1.9 3,-2.2 1,-0.3 -3,-0.2 0.244 83.9-150.2-130.1 1.3 20.7 46.3 38.8 264 264 A G T 3< S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.3 -7,-0.2 -0.288 77.1 -20.4 57.0-138.5 22.8 46.1 35.6 265 265 A K T 3 S- 0 0 85 -68,-3.6 -1,-0.3 1,-0.3 2,-0.3 0.567 109.0-109.6 -74.1 -8.9 23.6 49.6 34.4 266 266 A G < - 0 0 0 -3,-2.2 -67,-2.7 -69,-0.2 2,-0.4 -0.780 60.1 -15.4 116.6-162.1 20.7 51.0 36.5 267 267 A L B -hI 199 255A 7 -12,-2.2 -12,-2.9 -2,-0.3 -67,-0.2 -0.713 68.9-117.5 -84.5 127.4 17.3 52.6 35.7 268 268 A I - 0 0 1 -69,-1.9 2,-0.4 -2,-0.4 -14,-0.1 -0.223 22.3-165.5 -64.5 153.2 16.7 53.7 32.2 269 269 A N > - 0 0 19 -19,-0.3 4,-2.4 1,-0.1 -257,-0.2 -0.876 3.4-170.8-138.8 103.7 16.1 57.4 31.5 270 270 A V H > S+ 0 0 0 -259,-2.2 4,-2.5 -2,-0.4 -258,-0.2 0.774 84.6 60.3 -70.5 -30.1 14.7 57.9 28.0 271 271 A Q H > S+ 0 0 92 -260,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.925 112.3 38.0 -61.0 -49.1 15.0 61.7 28.2 272 272 A A H >4 S+ 0 0 41 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.902 116.3 53.6 -68.5 -41.9 18.8 61.4 28.7 273 273 A A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.816 102.2 59.8 -63.9 -32.5 19.0 58.5 26.2 274 274 A A H 3< 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.647 360.0 360.0 -75.5 -16.2 17.3 60.5 23.6 275 275 A Q << 0 0 153 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.0 -0.382 360.0 360.0 53.8 360.0 19.9 63.4 23.4