==== 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 HYDROLASE (SERINE PROTEASE) 16-JAN-96 1YJC . COMPND 2 MOLECULE: SUBTILISIN 8397+1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR R.D.KIDD,G.K.FARBER . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 1 0.4 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 . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.0 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 0 1 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 2 2 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 . 4 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 0 119 0, 0.0 2,-0.6 0, 0.0 79,-0.3 0.000 360.0 360.0 360.0 107.7 -9.9 60.3 32.5 2 2 A Q - 0 0 51 77,-0.2 2,-0.4 75,-0.1 79,-0.2 -0.867 360.0-160.9 -96.0 122.3 -6.4 59.3 31.3 3 3 A S - 0 0 84 77,-2.9 79,-0.2 -2,-0.6 76,-0.0 -0.856 12.5-139.9-102.0 132.9 -4.0 58.2 34.1 4 4 A V - 0 0 66 -2,-0.4 5,-0.1 77,-0.2 77,-0.1 -0.854 26.6-124.7 -92.2 111.0 -0.2 58.3 33.4 5 5 A P >> - 0 0 18 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.301 18.5-120.0 -56.1 141.2 1.3 55.1 35.0 6 6 A Y H 3> S+ 0 0 76 1,-0.3 4,-3.3 2,-0.2 5,-0.1 0.826 110.5 59.0 -49.9 -40.3 4.1 55.9 37.4 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.818 99.2 55.8 -60.7 -38.0 6.6 53.9 35.4 8 8 A V H <4>S+ 0 0 1 -3,-1.1 5,-1.9 2,-0.2 -1,-0.2 0.939 115.5 38.9 -63.2 -43.1 6.1 56.0 32.3 9 9 A S H ><5S+ 0 0 63 -4,-1.3 3,-2.3 1,-0.2 -2,-0.2 0.923 109.5 62.6 -70.6 -42.0 7.0 59.1 34.4 10 10 A Q H 3<5S+ 0 0 27 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.2 43.0 -53.1 -36.2 9.8 57.2 36.3 11 11 A I T 3<5S- 0 0 0 -4,-1.8 259,-2.0 -3,-0.2 260,-0.5 0.330 116.0-116.9 -93.6 7.3 11.7 56.6 33.0 12 12 A K T X>5 + 0 0 85 -3,-2.3 4,-0.7 257,-0.2 3,-0.5 0.770 66.0 142.7 63.8 34.5 11.1 60.2 31.9 13 13 A A H >>< + 0 0 0 -5,-1.9 4,-1.9 1,-0.2 3,-1.1 0.917 61.7 64.3 -69.4 -44.7 9.0 59.4 28.7 14 14 A P H 3> S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.744 92.8 65.2 -54.0 -22.4 6.5 62.4 29.0 15 15 A A H <> S+ 0 0 28 -3,-0.5 4,-0.8 2,-0.2 -2,-0.2 0.951 106.8 41.3 -65.9 -42.5 9.4 64.8 28.5 16 16 A L H XX>S+ 0 0 0 -3,-1.1 5,-2.4 -4,-0.7 4,-0.9 0.885 109.8 59.0 -71.0 -36.7 9.8 63.4 25.0 17 17 A H H ><5S+ 0 0 26 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.917 103.1 52.6 -56.8 -44.9 6.0 63.3 24.4 18 18 A S H 3<5S+ 0 0 106 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.774 107.8 52.3 -63.9 -26.9 5.9 67.0 25.0 19 19 A Q H <<5S- 0 0 114 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.614 124.6-102.0 -82.4 -17.4 8.6 67.6 22.4 20 20 A G T <<5S+ 0 0 56 -3,-1.1 2,-0.7 -4,-0.9 -3,-0.2 0.518 83.6 125.4 108.1 5.3 6.7 65.6 19.8 21 21 A Y < + 0 0 74 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.2 -0.900 15.7 140.4-100.3 110.9 8.6 62.3 20.0 22 22 A T S S- 0 0 22 -2,-0.7 65,-2.4 210,-0.1 66,-0.5 0.154 76.5 -89.4-134.3 12.2 6.1 59.5 20.7 23 23 A G > - 0 0 0 210,-0.2 3,-2.1 209,-0.2 66,-0.3 0.578 57.1-179.6 89.2 13.3 7.4 56.6 18.5 24 24 A S T 3 S+ 0 0 59 1,-0.3 -1,-0.2 64,-0.1 64,-0.2 -0.177 71.4 4.2 -53.7 132.3 5.5 57.3 15.2 25 25 A N T 3 S+ 0 0 143 62,-0.7 2,-0.7 1,-0.2 -1,-0.3 0.276 95.2 128.4 74.6 -5.1 6.3 54.8 12.4 26 26 A V < - 0 0 9 -3,-2.1 63,-2.7 61,-0.1 2,-0.5 -0.712 53.2-144.6 -83.8 116.8 8.4 52.7 14.8 27 27 A K E -a 89 0A 48 -2,-0.7 94,-1.9 61,-0.2 93,-1.7 -0.764 16.7-172.1 -87.2 124.5 7.2 49.1 14.6 28 28 A V E -ab 90 121A 0 61,-2.2 63,-2.5 -2,-0.5 2,-0.6 -0.969 11.9-150.4-122.0 116.8 7.3 47.2 17.8 29 29 A A E -ab 91 122A 0 92,-3.0 94,-2.4 -2,-0.5 2,-1.0 -0.773 2.9-156.2 -88.8 117.9 6.6 43.4 17.9 30 30 A V E -ab 92 123A 0 61,-3.4 63,-1.9 -2,-0.6 2,-1.3 -0.849 8.1-162.9 -94.5 91.9 5.0 42.2 21.1 31 31 A I E +a 93 0A 0 92,-1.4 94,-0.5 -2,-1.0 2,-0.2 -0.693 50.9 98.2 -76.4 93.9 6.0 38.5 21.1 32 32 A D E S-a 94 0A 0 61,-1.4 63,-2.1 -2,-1.3 64,-1.1 -0.704 91.3 -45.1-154.4-153.7 3.5 37.3 23.7 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 61,-0.2 29,-0.3 0.263 95.2 -90.3 -79.6 16.5 0.0 35.7 24.3 34 34 A G - 0 0 0 -4,-0.3 2,-0.4 59,-0.3 -1,-0.3 -0.268 41.7 -97.0 96.0 171.5 -1.5 38.0 21.7 35 35 A I - 0 0 0 22,-2.4 2,-1.3 30,-0.1 57,-0.1 -0.998 22.8-123.8-132.5 129.2 -3.1 41.5 22.1 36 36 A D > - 0 0 17 -2,-0.4 3,-1.5 1,-0.2 23,-0.2 -0.655 27.2-171.5 -70.5 98.1 -6.8 42.2 22.4 37 37 A S T 3 S+ 0 0 55 -2,-1.3 7,-0.3 21,-1.1 -1,-0.2 0.549 76.6 70.3 -70.3 -11.2 -7.1 44.6 19.5 38 38 A S T 3 + 0 0 89 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.640 68.5 117.0 -81.3 -12.1 -10.6 45.5 20.5 39 39 A H X - 0 0 2 -3,-1.5 3,-1.9 1,-0.2 169,-0.0 -0.346 67.3-138.3 -59.6 123.7 -9.4 47.4 23.6 40 40 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.827 99.4 54.4 -52.7 -32.9 -10.4 51.1 23.1 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.3 36,-0.0 2,-0.3 0.218 101.8 61.5 -89.9 13.3 -6.9 52.2 24.4 42 42 A L < - 0 0 5 -3,-1.9 2,-0.5 32,-0.2 32,-0.1 -0.982 59.9-157.6-136.7 146.2 -4.7 50.3 22.0 43 43 A K - 0 0 158 -2,-0.3 47,-0.7 30,-0.3 2,-0.6 -0.975 13.9-161.7-126.1 111.4 -4.3 50.4 18.3 44 44 A V E -c 90 0A 23 -2,-0.5 47,-0.2 -7,-0.3 45,-0.1 -0.881 8.0-167.8 -97.9 115.0 -2.9 47.2 16.9 45 45 A A E - 0 0 65 45,-1.1 2,-0.3 -2,-0.6 46,-0.2 0.748 58.7 -59.9 -72.8 -25.9 -1.4 47.5 13.3 46 46 A G E +c 91 0A 13 44,-1.1 46,-2.7 11,-0.0 2,-0.3 -0.956 54.5 165.3 173.6-160.0 -1.0 43.7 12.6 47 47 A G E -c 92 0A 23 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.982 24.9-116.3 152.9-160.3 0.6 40.5 13.7 48 48 A A E -c 93 0A 19 44,-2.3 46,-2.0 -2,-0.3 2,-0.4 -0.936 17.6-127.6-171.5 152.3 0.5 36.7 13.3 49 49 A S E +c 94 0A 29 -2,-0.3 46,-0.2 6,-0.3 6,-0.1 -0.973 18.7 177.2-118.6 137.2 -0.2 33.7 15.5 50 50 A F + 0 0 49 44,-3.0 45,-0.1 -2,-0.4 5,-0.1 0.123 55.5 104.5-117.0 12.3 2.0 30.6 15.9 51 51 A V > - 0 0 1 3,-0.5 3,-2.3 43,-0.4 5,-0.1 -0.874 64.5-151.3 -96.7 104.7 -0.1 28.9 18.5 52 52 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.722 95.5 45.2 -47.0 -30.9 -1.7 26.1 16.4 53 53 A S T 3 S+ 0 0 98 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.527 117.1 44.3 -91.0 -12.9 -4.8 26.0 18.7 54 54 A E < + 0 0 32 -3,-2.3 -3,-0.5 40,-0.1 -1,-0.2 -0.588 63.2 167.0-133.4 70.2 -5.1 29.9 18.9 55 55 A T + 0 0 115 -3,-0.3 -6,-0.3 -2,-0.1 -1,-0.1 0.339 54.5 87.2 -67.6 1.4 -4.7 31.2 15.3 56 56 A N > - 0 0 64 3,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.887 52.3-174.6-109.4 104.4 -6.0 34.7 16.1 57 57 A P T 3 S+ 0 0 10 0, 0.0 -22,-2.4 0, 0.0 -1,-0.1 0.717 84.5 63.9 -66.2 -19.9 -3.2 37.0 17.4 58 58 A F T 3 S+ 0 0 65 -24,-0.2 -21,-1.1 -22,-0.1 2,-0.6 0.358 89.5 80.6 -86.4 5.7 -5.8 39.7 18.1 59 59 A Q < - 0 0 103 -3,-1.5 2,-0.9 -23,-0.2 -23,-0.2 -0.929 63.0-167.7-117.7 109.0 -7.4 37.4 20.8 60 60 A D + 0 0 11 -2,-0.6 -26,-0.1 1,-0.1 -24,-0.1 -0.772 14.1 170.6-103.1 97.5 -5.7 37.4 24.1 61 61 A N S S+ 0 0 83 -2,-0.9 -1,-0.1 -28,-0.4 -27,-0.1 0.358 80.2 44.7 -84.2 2.7 -7.0 34.5 26.2 62 62 A N S S- 0 0 50 -29,-0.3 -1,-0.2 34,-0.1 -2,-0.1 0.778 90.5-139.8-110.4 -47.9 -4.3 35.0 28.9 63 63 A S S > S+ 0 0 18 -29,-0.1 4,-1.9 -30,-0.1 5,-0.2 -0.111 77.9 97.5 108.2 -26.0 -4.2 38.8 29.4 64 64 A H H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 81.5 50.0 -57.6 -48.3 -0.3 39.0 29.7 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 110.6 50.5 -61.7 -39.1 0.3 40.1 26.1 66 66 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 142,-0.3 0.876 111.2 47.7 -65.9 -39.9 -2.3 42.9 26.4 67 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 141,-0.3 0.923 112.8 47.9 -66.7 -49.1 -0.8 44.3 29.6 68 68 A V H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.8 0.981 112.6 50.4 -55.8 -51.4 2.7 44.2 28.2 69 69 A A H 3X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 -2,-0.2 0.822 106.0 55.7 -55.7 -40.5 1.4 45.9 25.0 70 70 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.1 138,-0.3 -1,-0.3 0.847 106.0 50.5 -60.3 -38.3 -0.4 48.6 27.0 71 71 A T H << S+ 0 0 6 -4,-1.6 13,-2.0 -3,-0.8 -1,-0.2 0.805 116.3 44.2 -69.0 -32.0 2.9 49.6 28.8 72 72 A V H < S- 0 0 0 -4,-1.5 13,-2.9 11,-0.2 -2,-0.2 0.976 137.4 -1.9 -75.8 -53.7 4.4 49.8 25.3 73 73 A A H < + 0 0 3 -4,-3.3 -30,-0.3 10,-0.2 -3,-0.2 -0.010 66.4 158.9-137.1 28.3 1.7 51.7 23.4 74 74 A A < - 0 0 0 -4,-2.1 9,-2.9 -5,-0.2 -32,-0.2 -0.415 55.1-103.4 -55.1 124.2 -1.4 52.6 25.3 75 75 A L - 0 0 47 -34,-2.3 2,-1.2 7,-0.2 4,-0.1 -0.109 19.7-121.1 -54.6 144.6 -2.9 55.5 23.2 76 76 A D S S+ 0 0 100 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.723 70.9 105.1 -89.2 93.2 -2.6 59.2 24.3 77 77 A N S S- 0 0 64 -2,-1.2 -75,-0.1 2,-0.4 -36,-0.0 -0.522 86.7 -65.4-143.0-149.2 -6.3 60.2 24.5 78 78 A S S S+ 0 0 90 -2,-0.2 2,-0.2 -77,-0.1 -2,-0.1 0.448 103.8 56.4 -95.5 -0.0 -8.9 61.0 27.2 79 79 A I S S- 0 0 63 2,-0.1 -2,-0.4 -4,-0.1 -77,-0.2 -0.738 92.6 -8.2-126.6 175.7 -9.2 57.5 28.7 80 80 A G S S- 0 0 14 -79,-0.3 -77,-2.9 -2,-0.2 2,-0.1 -0.069 94.6 -30.9 45.0-129.1 -7.3 54.6 30.3 81 81 A V - 0 0 5 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.4 -0.313 49.7-119.6-110.9-166.3 -3.5 54.7 30.4 82 82 A L - 0 0 9 -79,-0.2 -7,-0.2 -2,-0.1 -74,-0.1 -0.967 22.6-143.2-143.2 120.8 -0.5 56.1 28.4 83 83 A G - 0 0 0 -9,-2.9 -11,-0.2 -2,-0.4 -10,-0.2 -0.224 28.2-109.8 -77.3 170.9 2.2 53.9 27.0 84 84 A V S S+ 0 0 0 -13,-2.0 -11,-0.2 1,-0.3 -12,-0.1 0.907 119.5 24.1 -65.5 -38.3 5.9 54.8 26.7 85 85 A A S > S+ 0 0 0 -13,-2.9 3,-1.5 -14,-0.2 -1,-0.3 -0.751 72.4 174.1-130.4 76.5 5.5 55.1 22.9 86 86 A P T 3 S+ 0 0 4 0, 0.0 -10,-0.2 0, 0.0 -63,-0.1 0.610 79.8 49.1 -60.9 -14.1 1.7 55.9 22.3 87 87 A S T 3 S+ 0 0 55 -65,-2.4 -62,-0.7 -12,-0.1 -64,-0.2 0.439 83.4 119.6-107.9 4.0 2.3 56.3 18.6 88 88 A A S < S- 0 0 11 -3,-1.5 2,-1.0 -66,-0.5 -61,-0.2 -0.166 73.5-108.2 -66.2 157.5 4.2 53.2 17.8 89 89 A S E -a 27 0A 34 -63,-2.7 -61,-2.2 -66,-0.3 2,-0.6 -0.803 38.3-148.1 -90.5 99.7 3.0 50.5 15.4 90 90 A L E -ac 28 44A 0 -2,-1.0 -44,-1.1 -47,-0.7 -45,-1.1 -0.629 13.2-167.5 -76.4 115.4 2.0 47.7 17.7 91 91 A Y E -ac 29 46A 44 -63,-2.5 -61,-3.4 -2,-0.6 2,-0.9 -0.882 12.6-146.8-107.8 123.8 2.4 44.1 16.2 92 92 A A E +ac 30 47A 0 -46,-2.7 -44,-2.3 -2,-0.5 2,-0.8 -0.808 18.5 177.4 -91.5 101.2 0.8 41.1 18.0 93 93 A V E -ac 31 48A 0 -63,-1.9 -61,-1.4 -2,-0.9 2,-0.6 -0.877 18.1-158.8-105.0 90.9 3.1 38.0 17.5 94 94 A K E +ac 32 49A 1 -46,-2.0 -44,-3.0 -2,-0.8 -43,-0.4 -0.664 35.4 145.2 -79.2 115.2 1.2 35.4 19.5 95 95 A V + 0 0 0 -63,-2.1 2,-0.4 -2,-0.6 8,-0.3 0.364 55.1 73.7-127.4 -2.4 3.4 32.5 20.6 96 96 A L S S- 0 0 13 -64,-1.1 6,-0.2 6,-0.1 -45,-0.1 -0.927 71.0-136.9-119.2 140.7 1.9 31.7 24.0 97 97 A G > - 0 0 6 4,-2.7 3,-1.4 -2,-0.4 -2,-0.1 -0.060 39.1 -76.8 -82.3-169.5 -1.5 30.1 24.7 98 98 A A T 3 S+ 0 0 45 1,-0.3 -65,-0.0 2,-0.1 -1,-0.0 0.794 128.1 50.5 -60.4 -39.1 -4.4 30.7 27.1 99 99 A D T 3 S- 0 0 133 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.515 120.4-105.8 -79.3 -6.0 -2.6 29.2 30.1 100 100 A G S < S+ 0 0 27 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.317 83.4 106.0 101.9 -9.4 0.5 31.3 29.5 101 101 A S + 0 0 70 -5,-0.1 -4,-2.7 -68,-0.0 -1,-0.3 -0.666 39.1 179.0-103.7 163.5 2.9 28.7 28.1 102 102 A G - 0 0 24 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.893 32.3-102.7-150.1 169.0 4.2 28.1 24.6 103 103 A Q > - 0 0 118 -8,-0.3 4,-1.9 -2,-0.3 3,-0.5 -0.737 31.7-120.3 -94.4 152.9 6.6 25.7 22.8 104 104 A Y H > S+ 0 0 66 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.887 114.5 59.2 -61.0 -36.6 10.1 27.0 21.9 105 105 A S H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 106.1 48.5 -57.1 -40.8 9.4 26.2 18.2 106 106 A W H > S+ 0 0 60 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.938 114.4 45.4 -64.4 -47.5 6.4 28.6 18.4 107 107 A I H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 115.0 46.3 -60.6 -49.3 8.5 31.3 20.1 108 108 A I H X S+ 0 0 16 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.924 109.2 55.7 -61.4 -46.5 11.4 31.0 17.6 109 109 A N H X S+ 0 0 84 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.901 108.9 48.3 -52.1 -46.0 8.9 30.9 14.7 110 110 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.925 108.4 52.1 -63.4 -45.4 7.5 34.3 15.9 111 111 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.957 112.0 48.3 -55.6 -47.1 11.0 35.9 16.3 112 112 A E H X S+ 0 0 81 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.817 107.4 53.9 -63.8 -34.1 11.7 34.8 12.7 113 113 A W H X S+ 0 0 53 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.929 108.3 52.2 -65.2 -41.3 8.4 36.2 11.4 114 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 -2,-0.2 0.876 109.8 46.7 -62.1 -42.8 9.4 39.5 13.0 115 115 A I H ><5S+ 0 0 20 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.976 113.0 50.3 -62.1 -52.0 12.8 39.6 11.3 116 116 A A H 3<5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.834 111.6 49.9 -52.8 -37.9 11.2 38.7 8.0 117 117 A N T 3<5S- 0 0 68 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.097 113.8-109.5 -93.6 19.0 8.6 41.5 8.5 118 118 A N T < 5 + 0 0 117 -3,-1.8 -91,-0.2 1,-0.2 -3,-0.2 0.866 47.5 177.7 59.4 43.1 11.0 44.4 9.3 119 119 A M < - 0 0 5 -5,-2.1 -1,-0.2 1,-0.2 -91,-0.2 -0.535 20.2-157.2 -73.8 145.5 10.2 44.9 13.0 120 120 A D S S+ 0 0 63 -93,-1.7 28,-2.8 1,-0.3 2,-0.4 0.855 77.2 19.2 -89.1 -37.0 12.3 47.7 14.5 121 121 A V E -bd 28 148A 0 -94,-1.9 -92,-3.0 26,-0.2 2,-0.4 -0.991 65.0-160.5-138.2 136.4 12.0 46.5 18.2 122 122 A I E -bd 29 149A 0 26,-2.9 28,-2.9 -2,-0.4 2,-0.5 -0.957 7.3-158.9-117.1 134.9 11.1 43.1 19.5 123 123 A N E -bd 30 150A 0 -94,-2.4 -92,-1.4 -2,-0.4 2,-0.7 -0.962 6.6-173.4-118.9 122.0 9.9 42.7 23.1 124 124 A M E + d 0 151A 0 26,-2.9 28,-2.4 -2,-0.5 2,-1.3 -0.842 9.1 177.5-120.1 96.0 10.0 39.3 24.8 125 125 A S + 0 0 1 -2,-0.7 2,-0.3 -94,-0.5 96,-0.1 -0.500 63.1 72.2 -92.3 63.0 8.4 39.3 28.2 126 126 A L + 0 0 23 -2,-1.3 2,-0.3 26,-0.2 43,-0.3 -0.958 54.4 179.7-170.4 154.7 9.1 35.6 28.6 127 127 A G - 0 0 53 -2,-0.3 26,-0.0 41,-0.1 -2,-0.0 -0.970 16.9-141.3-165.6 148.9 12.0 33.3 29.3 128 128 A G B -J 167 0B 11 39,-2.4 39,-2.7 -2,-0.3 -2,-0.0 -0.806 24.6-125.6-110.9 158.0 13.0 29.7 29.7 129 129 A P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.747 95.9 48.6 -75.1 -18.0 15.6 28.2 32.1 130 130 A S S S- 0 0 78 37,-0.1 -2,-0.1 36,-0.0 37,-0.1 -0.900 73.1-148.7-124.6 149.0 17.3 26.5 29.2 131 131 A G - 0 0 35 -2,-0.3 2,-0.3 35,-0.0 3,-0.1 -0.307 3.6-149.8-103.9-172.4 18.5 27.7 25.8 132 132 A S > - 0 0 39 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.986 29.6-120.2-159.0 150.8 19.0 26.3 22.3 133 133 A A H > S+ 0 0 89 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.877 118.6 51.5 -57.6 -39.4 21.2 26.8 19.2 134 134 A A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.773 110.4 47.5 -69.1 -30.7 18.0 27.7 17.3 135 135 A L H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 114.8 44.9 -75.1 -47.0 16.9 30.2 19.9 136 136 A K H X S+ 0 0 79 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.910 112.0 55.8 -59.8 -41.3 20.4 31.8 19.9 137 137 A A H X S+ 0 0 55 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.952 107.4 48.1 -53.9 -52.6 20.2 31.6 16.1 138 138 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.867 115.5 41.5 -57.9 -49.7 17.0 33.6 16.0 139 139 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.889 114.1 51.5 -69.5 -40.2 18.0 36.5 18.4 140 140 A D H X S+ 0 0 53 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.894 111.2 49.1 -62.4 -38.7 21.5 36.8 16.9 141 141 A K H X S+ 0 0 81 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.893 107.8 54.0 -69.1 -40.1 20.0 37.0 13.4 142 142 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-0.6 0.964 112.7 43.0 -58.3 -53.1 17.5 39.7 14.5 143 143 A V H ><5S+ 0 0 36 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.891 111.5 54.3 -60.1 -42.6 20.2 42.0 15.9 144 144 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.782 107.9 52.9 -63.3 -25.8 22.5 41.3 12.8 145 145 A S T <<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.323 128.9 -96.8 -92.6 5.9 19.5 42.4 10.7 146 146 A G T < 5S+ 0 0 39 -3,-1.9 97,-0.3 1,-0.3 -3,-0.2 0.278 75.9 140.1 100.8 -7.4 19.1 45.7 12.6 147 147 A V < - 0 0 6 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.3 -0.337 50.6-133.1 -74.9 143.4 16.4 44.8 15.1 148 148 A V E -d 121 0A 5 -28,-2.8 -26,-2.9 -2,-0.1 2,-0.6 -0.897 26.3-160.1 -93.5 117.9 16.5 46.0 18.7 149 149 A V E -d 122 0A 3 -2,-0.7 26,-2.7 24,-0.4 2,-0.3 -0.927 11.5-179.0-110.6 118.7 15.7 42.9 20.8 150 150 A V E +de 123 175A 0 -28,-2.9 -26,-2.9 -2,-0.6 2,-0.3 -0.897 2.6 176.3-116.8 142.3 14.5 43.4 24.4 151 151 A A E -de 124 176A 0 24,-2.6 26,-2.2 -2,-0.3 -26,-0.2 -0.993 35.5-105.2-148.9 149.7 13.6 40.7 27.0 152 152 A A E - e 0 177A 6 -28,-2.4 17,-0.4 -2,-0.3 -26,-0.2 -0.514 27.6-139.6 -69.0 141.9 12.6 40.3 30.6 153 153 A A - 0 0 0 24,-2.5 13,-2.0 1,-0.2 2,-0.1 0.776 50.4-105.4 -76.6 -25.3 15.5 39.0 32.7 154 154 A G - 0 0 19 23,-0.4 37,-2.6 11,-0.2 3,-0.3 -0.397 13.3-101.0 118.6 162.9 13.3 36.7 34.7 155 155 A N S S+ 0 0 75 35,-0.2 35,-0.2 1,-0.2 -1,-0.1 -0.311 78.9 112.0-116.8 48.9 11.7 36.4 38.2 156 156 A E - 0 0 144 1,-0.2 34,-0.2 8,-0.2 2,-0.2 0.626 56.9-161.0 -95.0 -16.7 14.1 33.9 39.8 157 157 A G - 0 0 5 32,-1.5 35,-1.0 -3,-0.3 2,-0.3 -0.462 44.2 -20.9 75.3-144.0 15.7 36.3 42.3 158 158 A T + 0 0 79 30,-0.2 2,-0.2 -2,-0.2 5,-0.1 -0.788 49.6 178.5-106.8 148.0 19.0 35.5 44.0 159 159 A S B > -K 162 0C 77 3,-0.5 3,-2.2 -2,-0.3 2,-0.5 -0.688 59.5 -68.5-150.3 91.8 20.7 32.1 44.3 160 160 A G T 3 S- 0 0 75 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.471 102.5 -38.0 65.7-114.4 24.1 31.9 46.0 161 161 A S T 3 S+ 0 0 111 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.044 111.8 111.4-129.2 20.7 26.5 33.6 43.6 162 162 A S B < S-K 159 0C 77 -3,-2.2 -3,-0.5 31,-0.1 2,-0.2 -0.693 71.2-106.6-101.2 151.5 25.0 32.3 40.4 163 163 A S - 0 0 35 -2,-0.3 30,-0.2 1,-0.1 -2,-0.1 -0.503 23.9-176.0 -73.1 141.9 23.1 34.0 37.6 164 164 A T + 0 0 22 28,-2.5 2,-0.3 -7,-0.2 -8,-0.2 0.157 40.8 128.8-118.6 8.2 19.3 33.4 37.5 165 165 A V - 0 0 6 27,-0.9 -11,-0.2 26,-0.1 -12,-0.1 -0.548 48.6-148.7 -68.1 124.2 18.8 35.4 34.2 166 166 A G > - 0 0 13 -13,-2.0 4,-1.7 -2,-0.3 -1,-0.1 -0.124 26.7 -50.1 -84.3-173.2 16.9 33.1 31.8 167 167 A Y B 4 S+J 128 0B 62 -39,-2.7 -39,-2.4 2,-0.3 -37,-0.1 -0.815 112.6 18.0-107.6 153.4 16.9 32.9 28.0 168 168 A P T >4 S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.998 123.7 61.2 -73.8 -9.0 16.7 34.6 25.5 169 169 A A T 34 S+ 0 0 1 -17,-0.4 -2,-0.3 -43,-0.3 7,-0.2 0.784 96.9 64.5 -45.2 -34.5 17.6 37.4 28.0 170 170 A K T 3< S+ 0 0 46 -4,-1.7 -1,-0.3 5,-0.1 -3,-0.1 0.792 78.5 96.1 -63.6 -31.8 20.9 35.6 28.7 171 171 A Y S X S- 0 0 22 -3,-1.8 3,-1.4 1,-0.1 5,-0.1 -0.307 79.7-127.5 -63.5 138.0 22.4 36.0 25.2 172 172 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.879 107.0 60.0 -55.3 -36.2 24.8 39.0 24.8 173 173 A S T 3 S+ 0 0 22 2,-0.1 -24,-0.4 -37,-0.1 2,-0.3 0.682 95.8 78.2 -65.7 -18.0 22.9 40.3 21.7 174 174 A V S < S- 0 0 0 -3,-1.4 2,-0.8 -6,-0.3 -24,-0.2 -0.756 83.4-123.2 -97.9 137.5 19.6 40.6 23.8 175 175 A I E -e 150 0A 5 -26,-2.7 -24,-2.6 -2,-0.3 2,-0.5 -0.686 27.7-153.1 -82.4 106.6 18.8 43.5 26.2 176 176 A A E -e 151 0A 0 -2,-0.8 21,-2.1 19,-0.5 22,-1.7 -0.732 10.8-157.0 -86.0 124.9 18.1 41.9 29.6 177 177 A V E -ef 152 198A 0 -26,-2.2 -24,-2.5 -2,-0.5 -23,-0.4 -0.870 7.2-162.3-112.6 129.8 15.8 43.9 31.8 178 178 A G E - f 0 199A 0 20,-3.0 22,-1.9 -2,-0.5 2,-0.5 -0.512 22.0-115.9 -98.6 167.7 15.4 43.8 35.6 179 179 A A E + f 0 200A 0 20,-0.2 8,-2.9 8,-0.2 2,-0.3 -0.925 29.4 175.6-112.3 128.1 12.6 45.2 37.7 180 180 A V E -Gf 186 201A 0 20,-2.0 22,-2.3 -2,-0.5 23,-0.6 -0.872 25.1-125.3-119.8 155.5 12.8 48.1 40.3 181 181 A D > - 0 0 41 4,-2.6 3,-1.9 -2,-0.3 23,-0.1 -0.284 42.2 -82.9 -88.6-173.6 9.9 49.6 42.3 182 182 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.749 131.4 55.8 -62.8 -23.7 8.9 53.3 42.4 183 183 A S T 3 S- 0 0 87 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.102 117.9-114.1 -94.8 19.7 11.6 53.9 45.1 184 184 A N S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.567 70.6 139.3 58.8 12.4 14.2 52.5 42.7 185 185 A Q - 0 0 98 1,-0.1 -4,-2.6 0, 0.0 -1,-0.2 -0.649 62.4-102.6 -84.5 144.9 14.9 49.5 44.9 186 186 A R B -G 180 0A 35 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.442 37.1-113.3 -65.4 135.8 15.4 46.1 43.1 187 187 A A > - 0 0 8 -8,-2.9 3,-1.2 1,-0.1 -8,-0.2 -0.567 21.4-128.1 -70.1 136.5 12.3 43.9 43.2 188 188 A S T 3 S+ 0 0 105 1,-0.3 -30,-0.2 -2,-0.2 -1,-0.1 0.867 109.2 50.8 -57.3 -34.7 13.1 40.7 45.3 189 189 A F T 3 S+ 0 0 56 -32,-0.1 -32,-1.5 -33,-0.1 -1,-0.3 0.673 84.2 116.3 -75.1 -19.5 11.9 38.4 42.6 190 190 A S S < S- 0 0 0 -3,-1.2 -35,-0.2 -11,-0.2 -12,-0.1 -0.287 71.6-112.3 -58.3 128.5 14.0 40.2 39.8 191 191 A S - 0 0 0 -37,-2.6 2,-0.2 -14,-0.2 -33,-0.1 -0.269 33.1-153.7 -64.1 147.1 16.7 37.9 38.3 192 192 A V + 0 0 1 -35,-1.0 -28,-2.5 -30,-0.2 -27,-0.9 -0.739 32.8 99.4-119.2 165.1 20.3 38.6 38.9 193 193 A G S > S- 0 0 0 68,-3.2 3,-1.6 -2,-0.2 71,-0.2 -0.609 76.7 -73.6 139.2 164.8 23.6 38.0 37.2 194 194 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.641 119.2 67.9 -62.5 -20.7 26.4 39.6 35.0 195 195 A E T 3 S+ 0 0 48 -3,-0.1 -19,-0.5 66,-0.1 2,-0.2 0.575 71.9 114.6 -80.1 -8.3 24.0 39.4 31.9 196 196 A L < + 0 0 3 -3,-1.6 -19,-0.1 1,-0.1 67,-0.1 -0.437 38.5 175.6 -64.7 128.2 21.7 42.1 33.4 197 197 A D - 0 0 9 -21,-2.1 68,-3.3 1,-0.4 2,-0.3 0.853 54.9 -9.7-100.0 -59.5 21.8 45.3 31.3 198 198 A V E -f 177 0A 1 -22,-1.7 -20,-3.0 66,-0.2 -1,-0.4 -0.824 54.8-130.6-137.3 176.4 19.2 47.7 32.7 199 199 A M E +fh 178 267A 0 67,-2.1 69,-1.8 -2,-0.3 -20,-0.2 -0.914 22.7 173.7-127.3 152.9 16.3 48.1 35.2 200 200 A A E -f 179 0A 0 -22,-1.9 -20,-2.0 -2,-0.3 23,-0.1 -0.959 48.2 -65.5-153.2 161.7 12.9 49.5 34.7 201 201 A P E +f 180 0A 0 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.287 56.2 158.4 -53.7 129.0 9.7 49.8 36.7 202 202 A G + 0 0 0 -22,-2.3 17,-2.6 21,-0.1 2,-0.4 0.343 37.7 90.2-138.5 8.0 8.3 46.3 37.4 203 203 A V S S- 0 0 41 -23,-0.6 15,-0.2 15,-0.2 3,-0.2 -0.918 101.0 -12.3-116.8 133.5 6.0 46.4 40.4 204 204 A S S S- 0 0 76 -2,-0.4 2,-0.5 1,-0.2 14,-0.2 0.865 80.8-175.9 51.2 42.0 2.3 47.1 40.5 205 205 A I E -L 217 0D 2 12,-2.8 12,-1.4 -3,-0.2 2,-0.4 -0.552 17.2-140.9 -74.7 117.4 2.5 48.3 36.9 206 206 A X E +L 216 0D 56 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.680 40.0 138.1 -81.4 129.9 -0.9 49.6 35.8 207 207 A S E -L 215 0D 0 8,-2.3 8,-2.2 -2,-0.4 -140,-0.1 -0.919 50.5 -57.6-156.9-179.1 -1.9 48.7 32.2 208 208 A T E -L 214 0D 0 -142,-0.3 -138,-0.3 -141,-0.3 6,-0.3 -0.393 42.7-169.5 -70.1 141.7 -4.6 47.5 29.7 209 209 A L E > -L 213 0D 24 4,-2.3 4,-2.0 -2,-0.1 3,-0.1 -0.944 36.1 -79.3-130.6 150.6 -6.3 44.1 30.2 210 210 A P T 4 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.095 109.3 32.9 -49.8 145.8 -8.7 42.2 27.8 211 211 A G T 4 S- 0 0 51 1,-0.2 -172,-0.0 2,-0.1 0, 0.0 0.926 133.6 -60.5 71.4 48.3 -12.3 43.3 27.4 212 212 A N T 4 S+ 0 0 91 1,-0.2 2,-0.2 -176,-0.1 -1,-0.2 0.880 102.7 128.0 47.1 51.3 -11.8 47.1 28.0 213 213 A K E < -L 209 0D 133 -4,-2.0 -4,-2.3 2,-0.0 2,-0.3 -0.698 46.0-145.3-124.7 175.5 -10.3 46.7 31.5 214 214 A Y E +L 208 0D 76 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.984 22.7 160.7-146.3 138.5 -7.2 47.9 33.4 215 215 A G E -L 207 0D 15 -8,-2.2 -8,-2.3 -2,-0.3 2,-0.3 -0.979 33.6-113.0-156.1 160.7 -5.1 46.1 36.1 216 216 A A E +L 206 0D 50 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.760 31.0 176.4 -99.7 144.3 -1.8 46.2 37.9 217 217 A Y E -L 205 0D 85 -12,-1.4 -12,-2.8 -2,-0.3 2,-0.4 -0.959 16.7-146.2-140.9 156.6 0.8 43.3 37.6 218 218 A S + 0 0 66 -2,-0.3 2,-0.2 -14,-0.2 -15,-0.2 -0.985 45.6 95.5-127.1 139.8 4.4 42.8 38.9 219 219 A G S >> S- 0 0 2 -17,-2.6 3,-1.5 -2,-0.4 4,-0.6 -0.803 82.8 -90.8 156.0 159.7 7.2 41.0 37.2 220 220 A T H 3> S+ 0 0 1 1,-0.3 4,-2.3 -2,-0.2 3,-0.3 0.703 119.6 74.8 -68.9 -12.4 10.1 41.7 35.0 221 221 A S H 34 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.2 -96,-0.1 0.781 97.0 47.3 -65.4 -26.5 7.6 41.1 32.1 222 222 A M H <4 S+ 0 0 4 -3,-1.5 4,-0.4 -20,-0.2 -1,-0.2 0.691 110.7 53.6 -86.5 -20.2 6.2 44.6 33.1 223 223 A A H >X S+ 0 0 0 -4,-0.6 3,-1.2 -3,-0.3 4,-1.0 0.939 99.3 58.8 -78.6 -51.4 9.8 46.0 33.1 224 224 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 3,-0.4 0.821 98.5 58.4 -47.8 -49.1 11.0 44.9 29.6 225 225 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.819 99.6 59.4 -56.6 -30.9 8.1 46.8 27.7 226 226 A H H <> S+ 0 0 1 -3,-1.2 4,-2.5 -4,-0.4 -2,-0.2 0.924 110.8 40.6 -62.7 -44.1 9.3 50.1 29.3 227 227 A V H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.855 112.7 55.0 -70.7 -37.3 12.8 49.7 27.7 228 228 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.908 112.4 44.8 -60.3 -40.3 11.1 48.4 24.5 229 229 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.922 107.7 57.0 -68.3 -45.0 9.1 51.6 24.5 230 230 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 104.1 53.8 -52.5 -45.4 12.2 53.7 25.3 231 231 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.906 106.4 53.2 -57.0 -41.6 13.9 52.2 22.1 232 232 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.879 108.2 48.4 -64.4 -39.7 10.8 53.4 20.1 233 233 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -210,-0.2 0.942 113.3 47.6 -65.7 -44.7 11.1 57.0 21.4 234 234 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.922 112.1 49.9 -62.0 -44.9 14.8 57.1 20.6 235 235 A L H < S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.0 54.4 -65.2 -28.9 14.2 55.6 17.2 236 236 A S H < S+ 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.853 115.1 38.6 -74.5 -32.5 11.5 58.3 16.5 237 237 A K H < S+ 0 0 44 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.861 131.5 29.0 -81.9 -37.0 13.9 61.1 17.3 238 238 A H >< + 0 0 37 -4,-3.1 3,-2.1 -5,-0.2 -1,-0.2 -0.511 66.1 166.0-126.2 69.3 16.9 59.4 15.6 239 239 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.764 76.2 60.2 -54.5 -27.2 15.5 57.2 12.8 240 240 A N T 3 S+ 0 0 137 -3,-0.1 -5,-0.1 2,-0.0 -2,-0.0 0.652 81.7 106.1 -76.9 -21.1 19.0 56.9 11.3 241 241 A W < - 0 0 38 -3,-2.1 2,-0.1 -7,-0.2 -3,-0.0 -0.272 67.2-126.3 -63.6 144.0 20.6 55.2 14.4 242 242 A T > - 0 0 67 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.420 26.4-106.5 -83.3 167.4 21.5 51.5 14.5 243 243 A N H > S+ 0 0 19 -97,-0.3 4,-2.7 1,-0.2 5,-0.2 0.881 122.1 56.7 -60.0 -36.3 20.3 49.1 17.1 244 244 A T H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 109.3 44.6 -60.5 -45.8 23.9 49.1 18.5 245 245 A Q H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 112.0 51.8 -66.0 -43.6 23.8 52.9 19.0 246 246 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.932 113.0 46.0 -57.3 -50.4 20.3 52.8 20.5 247 247 A R H X S+ 0 0 52 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.933 110.6 52.4 -58.2 -50.7 21.4 50.1 23.0 248 248 A S H X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.938 110.1 49.6 -51.3 -49.2 24.6 52.0 23.8 249 249 A S H X S+ 0 0 8 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.908 110.3 48.7 -58.0 -49.1 22.6 55.1 24.5 250 250 A L H < S+ 0 0 2 -4,-2.3 19,-0.3 1,-0.2 3,-0.3 0.887 117.8 42.3 -58.8 -41.4 20.1 53.3 26.8 251 251 A E H < S+ 0 0 26 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.746 113.5 50.1 -80.7 -24.3 23.0 51.7 28.7 252 252 A N H < S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.567 108.6 48.7 -95.5 -3.7 25.3 54.7 29.0 253 253 A T S < S+ 0 0 41 -4,-1.1 20,-0.2 -3,-0.3 19,-0.2 -0.048 83.4 128.3-120.7 23.7 22.8 57.4 30.3 254 254 A T - 0 0 33 -3,-0.4 2,-0.7 14,-0.1 14,-0.2 -0.273 65.8-113.4 -76.5 165.0 21.4 55.3 33.2 255 255 A T B -I 267 0A 68 12,-2.6 12,-2.1 -2,-0.1 -2,-0.1 -0.931 36.9-127.5-100.7 108.9 21.0 56.3 36.8 256 256 A Y + 0 0 165 -2,-0.7 10,-0.2 10,-0.2 3,-0.1 -0.392 35.6 170.3 -56.9 134.2 23.4 53.9 38.7 257 257 A L - 0 0 46 1,-0.4 2,-0.3 7,-0.3 -1,-0.2 0.646 54.1 -47.5-118.2 -35.9 21.5 52.2 41.5 258 258 A G S S- 0 0 16 6,-0.3 -1,-0.4 5,-0.0 5,-0.1 -0.940 92.5 -12.8-175.3-163.9 23.9 49.5 42.9 259 259 A D >> - 0 0 95 -2,-0.3 4,-2.4 1,-0.1 3,-1.6 -0.219 59.6-126.4 -55.3 136.3 26.1 46.7 41.9 260 260 A S H 3> S+ 0 0 67 1,-0.3 4,-2.6 3,-0.2 6,-0.1 0.828 105.3 69.4 -57.0 -29.1 25.7 45.7 38.2 261 261 A F H 34 S+ 0 0 41 1,-0.2 -68,-3.2 2,-0.2 -1,-0.3 0.812 117.0 23.1 -58.5 -31.4 25.1 42.0 39.2 262 262 A Y H <4 S+ 0 0 77 -3,-1.6 -2,-0.2 -70,-0.2 -1,-0.2 0.697 141.3 23.6-106.1 -27.3 21.7 43.1 40.7 263 263 A Y H >< S- 0 0 35 -4,-2.4 3,-2.1 1,-0.3 -3,-0.2 0.360 86.8-149.4-122.0 0.7 20.9 46.4 38.9 264 264 A G T 3< S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.4 -6,-0.3 -0.291 74.5 -24.0 58.0-148.2 22.9 46.0 35.6 265 265 A K T 3 S- 0 0 79 -68,-3.3 -1,-0.3 1,-0.2 2,-0.2 0.552 111.1-110.5 -71.0 -3.1 23.9 49.4 34.4 266 266 A G < - 0 0 0 -3,-2.1 -67,-2.1 -69,-0.2 2,-0.4 -0.659 56.3 -14.9 111.5-170.5 21.0 50.9 36.4 267 267 A L B S-hI 199 255A 8 -12,-2.1 -12,-2.6 -2,-0.2 -67,-0.2 -0.619 70.0-117.2 -77.0 128.8 17.6 52.6 35.8 268 268 A I - 0 0 3 -69,-1.8 2,-0.4 -2,-0.4 -14,-0.1 -0.332 20.8-164.0 -70.4 147.5 17.0 53.8 32.3 269 269 A N > - 0 0 28 -19,-0.3 4,-2.4 -16,-0.1 -257,-0.2 -0.925 3.8-174.0-130.7 100.6 16.4 57.5 31.5 270 270 A V H > S+ 0 0 0 -259,-2.0 4,-2.3 -2,-0.4 -258,-0.1 0.727 82.9 62.2 -71.5 -23.4 14.9 58.0 28.0 271 271 A Q H > S+ 0 0 101 -260,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.943 112.9 36.4 -66.6 -45.0 15.2 61.8 28.1 272 272 A A H >4 S+ 0 0 43 -19,-0.2 3,-1.0 1,-0.2 -2,-0.2 0.923 116.4 55.2 -71.1 -44.4 19.0 61.4 28.4 273 273 A A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 102.7 54.8 -58.4 -38.7 19.1 58.4 26.0 274 274 A A H 3< 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.664 360.0 360.0 -74.2 -15.9 17.3 60.2 23.2 275 275 A Q << 0 0 140 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 -0.288 360.0 360.0 55.4 360.0 19.8 63.1 23.0