==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 24-MAR-11 2YDS . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.SCHIMPL,V.S.BORODKIN,L.J.GRAY,D.M.F.VAN AALTEN . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 0 1 0 2 1 0 1 0 3 2 1 2 0 0 1 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 2 4 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 . 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 39 A N 0 0 179 0, 0.0 2,-0.2 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -87.8 73.5 -9.6 12.8 2 40 A Q - 0 0 127 129,-0.0 2,-0.6 1,-0.0 19,-0.2 -0.489 360.0-134.5 -87.0 155.4 69.9 -10.9 13.5 3 41 A V - 0 0 30 17,-2.8 129,-0.2 -2,-0.2 16,-0.1 -0.941 21.9-142.5-110.2 116.6 68.2 -13.9 11.9 4 42 A L - 0 0 145 -2,-0.6 16,-0.0 1,-0.1 0, 0.0 -0.363 24.9-103.4 -76.4 154.5 64.6 -13.3 10.8 5 43 A V - 0 0 50 125,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.724 44.0-142.1 -77.4 122.0 61.9 -15.9 11.1 6 44 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 117,-0.1 -0.096 38.3 -61.5 -69.4 173.5 61.4 -17.3 7.6 7 45 A N - 0 0 76 116,-0.1 2,-0.4 417,-0.1 4,-0.0 -0.427 59.5-167.5 -51.2 124.9 58.1 -18.3 6.0 8 46 A L - 0 0 13 -2,-0.2 112,-0.1 -3,-0.1 416,-0.0 -0.972 10.7-134.2-120.2 141.6 56.6 -21.1 8.0 9 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 160,-0.2 162,-0.1 -0.966 88.3 26.7-140.0 126.8 53.7 -23.4 7.0 10 48 A P S S- 0 0 1 0, 0.0 -1,-0.1 0, 0.0 398,-0.1 0.635 100.5-113.8 -66.2 166.9 51.4 -24.0 8.9 11 49 A T - 0 0 31 -2,-0.2 404,-0.1 397,-0.1 -2,-0.1 -0.589 31.8-122.7 -67.6 119.0 51.6 -20.9 11.1 12 50 A P - 0 0 9 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.424 13.4-131.2 -61.5 141.9 52.7 -22.1 14.6 13 51 A E S S+ 0 0 47 1,-0.2 2,-0.5 125,-0.1 124,-0.2 0.969 91.6 24.8 -58.4 -55.9 50.2 -21.1 17.3 14 52 A N E S+A 136 0A 73 122,-2.0 122,-1.2 2,-0.0 2,-0.4 -0.947 70.5 158.6-119.9 122.5 52.7 -19.6 19.7 15 53 A L E +A 135 0A 58 -2,-0.5 2,-0.4 120,-0.2 120,-0.2 -0.976 8.5 176.3-143.2 128.5 56.1 -18.2 18.5 16 54 A E E -A 134 0A 130 118,-1.4 118,-1.8 -2,-0.4 2,-0.4 -0.996 28.9-131.1-131.3 132.5 58.3 -15.7 20.2 17 55 A V E +A 133 0A 90 -2,-0.4 116,-0.3 116,-0.2 3,-0.1 -0.658 28.1 174.3 -76.1 127.3 61.7 -14.4 19.2 18 56 A V E + 0 0 56 114,-2.9 2,-0.3 -2,-0.4 115,-0.2 0.431 58.5 1.8-115.9 -2.0 63.9 -14.7 22.2 19 57 A G E S-A 132 0A 25 113,-1.2 113,-0.5 -16,-0.1 -16,-0.1 -0.955 82.9 -80.6-166.0-174.2 67.3 -13.8 20.7 20 58 A D E S- 0 0 82 -2,-0.3 -17,-2.8 1,-0.2 2,-0.1 0.669 71.5-118.0 -72.0 -20.9 69.3 -12.6 17.7 21 59 A G E - 0 0 14 -19,-0.2 2,-0.3 110,-0.1 -1,-0.2 -0.289 27.5-128.6 100.6 167.6 69.5 -16.1 16.2 22 60 A F E -A 130 0A 32 108,-2.5 108,-2.8 -2,-0.1 2,-0.4 -0.985 13.7-106.7-150.4 162.5 72.7 -18.2 15.6 23 61 A K E -A 129 0A 137 -2,-0.3 2,-0.3 106,-0.2 106,-0.3 -0.756 36.3-126.9 -85.9 133.1 74.5 -20.1 12.9 24 62 A I - 0 0 6 104,-3.5 4,-0.1 -2,-0.4 39,-0.0 -0.658 33.2-112.7 -79.0 136.8 74.4 -23.9 13.5 25 63 A T - 0 0 47 -2,-0.3 -1,-0.1 2,-0.1 38,-0.1 -0.257 27.1 -98.2 -74.3 159.1 77.9 -25.4 13.5 26 64 A S S S+ 0 0 105 27,-0.1 28,-2.2 1,-0.1 2,-0.3 0.745 112.4 19.6 -37.8 -40.7 79.4 -27.8 10.8 27 65 A S E S-g 54 0B 25 26,-0.2 37,-0.4 28,-0.0 2,-0.3 -0.987 79.4-155.4-139.8 148.9 78.6 -30.7 13.0 28 66 A I E -g 55 0B 1 26,-2.6 28,-2.4 -2,-0.3 2,-0.6 -0.815 21.9-112.8-126.5 157.9 76.2 -30.9 15.9 29 67 A N E -b 65 0A 5 35,-3.2 37,-3.3 -2,-0.3 2,-0.5 -0.819 31.9-159.2 -87.2 127.7 75.6 -32.9 19.1 30 68 A L E +b 66 0A 17 -2,-0.6 2,-0.4 26,-0.3 37,-0.2 -0.942 13.3 179.4-111.9 126.2 72.5 -35.0 18.8 31 69 A V E +b 67 0A 42 35,-2.5 37,-1.8 -2,-0.5 -2,-0.0 -0.962 59.0 23.9-128.1 139.4 70.9 -36.1 22.0 32 70 A G S >> S+ 0 0 6 -2,-0.4 4,-2.1 35,-0.2 3,-1.0 0.269 75.3 124.0 96.4 -9.7 67.7 -38.2 22.6 33 71 A E T 34 + 0 0 46 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.703 66.7 61.8 -61.1 -24.7 67.8 -39.9 19.1 34 72 A E T 34 S+ 0 0 141 1,-0.2 -1,-0.3 7,-0.0 4,-0.1 0.888 118.8 24.7 -66.4 -40.7 67.7 -43.4 20.7 35 73 A E T <4 S+ 0 0 138 -3,-1.0 -2,-0.2 33,-0.2 -1,-0.2 0.644 103.4 99.0 -99.2 -19.2 64.3 -42.9 22.4 36 74 A A S < S- 0 0 8 -4,-2.1 33,-0.1 32,-0.2 5,-0.1 -0.270 93.6 -66.3 -71.0 157.4 62.8 -40.2 20.2 37 75 A D > - 0 0 27 1,-0.1 4,-2.3 73,-0.1 5,-0.2 -0.157 41.0-137.5 -44.5 124.0 60.4 -41.0 17.4 38 76 A E H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 103.2 47.3 -53.7 -41.2 62.1 -43.1 14.6 39 77 A N H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 109.8 51.4 -72.9 -39.3 60.4 -41.1 11.9 40 78 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 112.1 47.9 -58.8 -47.0 61.2 -37.7 13.4 41 79 A V H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.892 111.9 48.3 -64.1 -44.0 64.9 -38.7 13.7 42 80 A N H X S+ 0 0 59 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.933 111.8 50.2 -60.4 -47.7 65.0 -40.0 10.1 43 81 A A H X S+ 0 0 9 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.941 114.2 45.7 -52.4 -46.4 63.4 -36.8 8.9 44 82 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.874 110.4 53.0 -66.8 -40.9 66.0 -34.9 10.9 45 83 A R H X S+ 0 0 97 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.904 108.5 50.0 -59.9 -46.2 68.8 -37.1 9.6 46 84 A E H X S+ 0 0 136 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.903 111.3 48.8 -58.3 -44.5 67.9 -36.5 5.9 47 85 A F H X S+ 0 0 24 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.912 111.7 49.0 -64.8 -42.2 67.7 -32.7 6.5 48 86 A L H <>S+ 0 0 4 -4,-2.2 5,-2.5 1,-0.2 3,-0.4 0.943 113.7 46.0 -63.1 -47.2 71.1 -32.7 8.2 49 87 A T H ><5S+ 0 0 103 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.897 110.2 53.6 -61.4 -41.2 72.7 -34.8 5.4 50 88 A A H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 113.9 44.1 -68.0 -23.0 71.1 -32.6 2.7 51 89 A N T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.164 114.3-112.3-109.5 20.2 72.6 -29.5 4.4 52 90 A N T < 5 + 0 0 139 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.867 66.7 143.7 52.5 43.7 76.1 -30.9 5.1 53 91 A I < - 0 0 5 -5,-2.5 -26,-0.2 -6,-0.1 -1,-0.2 -0.972 36.2-153.2-109.3 121.6 75.7 -31.0 8.9 54 92 A E E -g 27 0B 139 -28,-2.2 -26,-2.6 -2,-0.5 2,-0.5 -0.572 11.3-127.4 -89.3 154.7 77.5 -33.9 10.4 55 93 A I E -g 28 0B 55 -28,-0.2 -26,-0.2 -2,-0.2 2,-0.1 -0.919 29.3-122.5 -99.3 129.1 76.5 -35.6 13.7 56 94 A N - 0 0 42 -28,-2.4 -26,-0.3 -2,-0.5 3,-0.1 -0.379 5.2-146.4 -68.4 146.9 79.4 -35.9 16.2 57 95 A S S S+ 0 0 129 1,-0.2 2,-0.4 -28,-0.1 -1,-0.1 0.830 90.1 29.8 -74.9 -36.9 80.4 -39.3 17.5 58 96 A E S S- 0 0 164 -3,-0.0 -1,-0.2 -29,-0.0 -2,-0.0 -0.986 102.7 -92.5-132.9 134.8 81.3 -37.8 20.8 59 97 A N - 0 0 109 -2,-0.4 -30,-0.1 -3,-0.1 6,-0.0 -0.138 37.0-167.7 -48.4 125.6 79.9 -34.8 22.4 60 98 A D > - 0 0 58 4,-0.1 3,-1.5 1,-0.1 -31,-0.1 -0.976 13.3-152.0-116.3 117.0 81.9 -31.7 21.6 61 99 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.510 90.6 65.5 -67.4 -6.2 80.9 -28.8 23.8 62 100 A N T 3 S+ 0 0 144 2,-0.1 2,-0.3 -34,-0.0 -3,-0.0 0.224 91.9 81.8 -95.9 14.2 81.9 -26.2 21.1 63 101 A S S < S- 0 0 21 -3,-1.5 -35,-0.1 1,-0.1 -34,-0.1 -0.884 90.9 -91.2-122.5 150.4 79.1 -27.4 18.7 64 102 A T - 0 0 8 -37,-0.4 -35,-3.2 -2,-0.3 2,-0.4 -0.205 42.7-145.9 -50.8 144.8 75.4 -26.8 18.4 65 103 A T E -bc 29 103A 19 37,-2.0 39,-2.9 -37,-0.2 2,-0.5 -0.980 11.5-165.4-122.5 135.4 73.4 -29.3 20.4 66 104 A L E -bc 30 104A 2 -37,-3.3 -35,-2.5 -2,-0.4 2,-0.4 -0.983 4.7-168.7-123.1 115.1 70.0 -30.6 19.3 67 105 A I E +bc 31 105A 5 37,-2.7 39,-2.4 -2,-0.5 2,-0.3 -0.886 10.9 177.0-105.6 141.1 67.9 -32.5 21.8 68 106 A I E + c 0 106A 0 -37,-1.8 2,-0.3 -2,-0.4 -32,-0.2 -0.996 15.5 108.3-146.8 144.2 64.8 -34.4 20.7 69 107 A G E - c 0 107A 0 37,-1.4 39,-2.1 -2,-0.3 2,-0.2 -0.949 53.5 -85.7 169.2 173.9 62.2 -36.6 22.3 70 108 A E E > - c 0 108A 15 -2,-0.3 3,-1.9 37,-0.2 39,-0.2 -0.655 40.1-109.5 -97.7 161.7 58.6 -37.0 23.4 71 109 A V T 3 S+ 0 0 41 37,-2.1 4,-0.2 1,-0.3 38,-0.1 0.950 118.9 59.5 -45.8 -51.4 57.1 -36.0 26.8 72 110 A D T 3 S+ 0 0 129 37,-0.3 2,-0.4 36,-0.2 -1,-0.3 0.279 86.4 93.8 -75.3 8.6 56.8 -39.7 27.6 73 111 A D S < S- 0 0 31 -3,-1.9 2,-1.5 2,-0.1 -37,-0.0 -0.868 79.3-129.9 -93.6 136.4 60.6 -40.2 27.2 74 112 A D + 0 0 154 -2,-0.4 -2,-0.1 2,-0.0 -3,-0.1 -0.684 56.4 137.1 -85.7 85.9 62.6 -40.0 30.4 75 113 A I >> - 0 0 28 -2,-1.5 4,-1.1 -4,-0.2 3,-0.6 -0.914 29.0-178.0-133.0 99.7 65.3 -37.5 29.2 76 114 A P H 3> S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.852 79.2 68.0 -62.8 -37.8 66.1 -34.8 31.7 77 115 A E H 3> S+ 0 0 50 1,-0.2 4,-0.9 2,-0.2 -10,-0.1 0.722 101.2 50.8 -56.6 -24.5 68.6 -33.0 29.4 78 116 A L H <> S+ 0 0 0 -3,-0.6 4,-1.4 2,-0.2 3,-0.4 0.926 106.3 50.9 -77.9 -51.8 65.6 -32.1 27.2 79 117 A D H <>S+ 0 0 94 -4,-1.1 5,-0.7 1,-0.2 4,-0.3 0.841 109.4 53.1 -55.5 -36.0 63.5 -30.6 30.0 80 118 A E H ><5S+ 0 0 158 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.866 108.9 50.5 -62.6 -38.5 66.6 -28.5 30.9 81 119 A A H 3<5S+ 0 0 16 -4,-0.9 -2,-0.2 -3,-0.4 24,-0.2 0.729 99.2 62.9 -77.9 -21.6 66.8 -27.2 27.3 82 120 A L T ><5S- 0 0 1 -4,-1.4 3,-1.5 -3,-0.1 -1,-0.2 0.554 95.8-140.1 -79.5 -8.2 63.2 -26.1 27.0 83 121 A N T < 5S- 0 0 134 -3,-0.7 -3,-0.1 -4,-0.3 3,-0.1 0.918 72.1 -40.6 46.4 55.7 63.7 -23.6 29.8 84 122 A G T 3 S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.1 7,-0.1 0.405 77.8 99.1 -91.5 -2.3 54.6 -30.0 25.4 88 126 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -17,-0.1 -16,-0.0 0.856 85.4 41.0 -52.2 -41.0 53.1 -31.9 28.3 89 127 A N T 3 S+ 0 0 132 -3,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.417 94.6 105.7 -95.2 3.4 49.9 -29.9 28.4 90 128 A L S < S- 0 0 17 -3,-1.3 3,-0.1 1,-0.1 4,-0.1 -0.415 76.3-104.0 -80.3 153.2 49.4 -29.7 24.6 91 129 A K > - 0 0 96 1,-0.2 3,-1.9 -2,-0.1 18,-0.2 -0.259 60.0 -65.1 -66.9 165.8 46.8 -31.7 22.6 92 130 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.2 17,-0.1 3,-0.1 -0.184 125.2 26.0 -54.4 144.8 48.0 -34.7 20.6 93 131 A E T 3 S+ 0 0 8 1,-0.3 -1,-0.3 -3,-0.1 23,-0.1 0.393 96.4 123.9 78.0 -2.1 50.3 -33.9 17.7 94 132 A G < - 0 0 0 -3,-1.9 15,-3.1 -7,-0.1 16,-0.6 -0.351 37.2-179.2 -83.1 169.2 51.5 -30.8 19.5 95 133 A Y E -DE 108 137A 0 42,-2.2 42,-2.4 13,-0.3 2,-0.4 -0.978 23.9-129.3-157.6 163.6 55.1 -30.0 20.3 96 134 A A E -DE 107 136A 0 11,-2.3 11,-2.8 -2,-0.3 2,-0.4 -0.954 21.8-173.5-116.1 145.4 57.4 -27.4 21.9 97 135 A L E +DE 106 135A 0 38,-2.6 38,-3.5 -2,-0.4 2,-0.4 -0.995 4.8 176.5-140.6 131.9 60.5 -26.1 20.2 98 136 A V E -DE 105 134A 6 7,-2.1 7,-3.0 -2,-0.4 2,-0.4 -0.995 8.7-178.7-136.8 124.8 63.2 -23.8 21.7 99 137 A S E +D 104 0A 0 34,-1.9 34,-0.3 -2,-0.4 2,-0.3 -0.959 28.1 136.3-118.0 111.8 66.4 -22.5 20.1 100 138 A N E > +D 103 0A 41 3,-1.7 3,-2.0 -2,-0.4 -2,-0.0 -0.985 63.5 2.0-143.2 146.5 68.5 -20.4 22.4 101 139 A D T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.853 129.9 -48.1 56.2 43.5 72.2 -20.1 23.2 102 140 A G T 3 S+ 0 0 26 1,-0.2 -37,-2.0 -38,-0.1 2,-0.4 0.605 114.6 108.0 73.8 12.8 73.4 -22.8 20.8 103 141 A K E < -cD 65 100A 95 -3,-2.0 -3,-1.7 -39,-0.2 2,-0.5 -0.980 46.6-166.0-121.3 135.7 70.8 -25.4 21.8 104 142 A I E -cD 66 99A 0 -39,-2.9 -37,-2.7 -2,-0.4 2,-0.5 -0.970 12.7-174.4-117.0 117.6 67.8 -26.6 19.8 105 143 A A E -cD 67 98A 0 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.4 -0.916 5.5-173.8-112.5 135.1 65.3 -28.7 21.8 106 144 A I E +cD 68 97A 0 -39,-2.4 -37,-1.4 -2,-0.5 2,-0.5 -0.991 3.1 179.7-127.4 126.4 62.2 -30.4 20.3 107 145 A E E -cD 69 96A 5 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.3 -0.931 11.4-157.4-127.4 111.3 59.6 -32.1 22.5 108 146 A G E -cD 70 95A 0 -39,-2.1 -37,-2.1 -2,-0.5 -13,-0.3 -0.611 22.7-136.3 -82.4 144.0 56.6 -33.7 20.9 109 147 A K S S- 0 0 68 -15,-3.1 -37,-0.3 -2,-0.3 2,-0.3 0.855 95.7 -16.2 -58.6 -33.9 53.5 -34.3 22.9 110 148 A D S > S- 0 0 37 -16,-0.6 4,-1.8 -39,-0.1 5,-0.1 -0.823 93.9 -74.8-149.8-172.3 53.7 -37.7 21.1 111 149 A G H > S+ 0 0 15 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.875 130.6 53.5 -60.3 -44.1 55.7 -39.1 18.2 112 150 A D H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.969 110.2 51.9 -53.4 -50.4 53.5 -37.3 15.6 113 151 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.848 107.3 50.1 -52.2 -43.4 54.3 -34.2 17.6 114 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.867 109.3 51.5 -68.0 -37.9 58.1 -34.8 17.5 115 153 A F H X S+ 0 0 2 -4,-2.2 4,-2.0 -3,-0.3 -2,-0.2 0.910 111.0 48.5 -62.4 -42.5 58.0 -35.3 13.7 116 154 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.880 106.3 56.4 -68.4 -37.8 56.1 -32.0 13.3 117 155 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 107.1 50.4 -55.0 -44.5 58.6 -30.3 15.6 118 156 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.908 106.6 55.0 -58.8 -43.1 61.3 -31.5 13.1 119 157 A Q H X S+ 0 0 4 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.956 110.2 44.9 -56.7 -49.6 59.2 -30.1 10.2 120 158 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.4 0.906 110.6 55.0 -58.9 -45.0 59.2 -26.6 11.8 121 159 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.949 106.4 51.9 -49.4 -54.4 62.8 -26.9 12.6 122 160 A K H < S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.7 47.1 -53.4 -35.0 63.5 -27.6 8.9 123 161 A Q H < S+ 0 0 26 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.848 107.9 56.4 -78.1 -34.6 61.6 -24.5 7.8 124 162 A L H < S+ 0 0 0 -4,-2.2 2,-0.4 -3,-0.2 -2,-0.2 0.762 91.4 85.9 -67.2 -29.6 63.3 -22.3 10.4 125 163 A V < + 0 0 12 -4,-1.3 2,-0.4 -5,-0.2 5,-0.2 -0.664 49.2 170.8 -86.8 125.0 66.9 -23.1 9.1 126 164 A K B > S-F 129 0A 113 3,-2.3 3,-2.1 -2,-0.4 -3,-0.0 -0.971 74.5 -21.9-131.3 116.9 68.4 -21.1 6.2 127 165 A E T 3 S- 0 0 181 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.888 126.7 -53.5 52.6 43.4 72.1 -21.5 5.2 128 166 A S T 3 S+ 0 0 32 1,-0.2 -104,-3.5 -105,-0.1 2,-0.4 0.241 112.1 121.7 75.7 -10.1 72.8 -22.8 8.7 129 167 A N E < -AF 23 126A 49 -3,-2.1 -3,-2.3 -106,-0.3 -106,-0.2 -0.700 36.6-179.3 -86.3 134.0 71.2 -19.8 10.5 130 168 A I E -A 22 0A 0 -108,-2.8 -108,-2.5 -2,-0.4 -5,-0.1 -0.979 25.0-124.2-127.4 139.8 68.3 -20.4 12.9 131 169 A P E - 0 0 0 0, 0.0 2,-0.7 0, 0.0 -111,-0.1 -0.454 28.2-113.7 -73.3 161.9 66.4 -17.7 14.8 132 170 A E E +A 19 0A 19 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75.2-149.1-100.2 133.6 41.5 -29.8 13.4 142 180 A S S S+ 0 0 48 -2,-0.4 2,-0.5 244,-0.4 245,-0.2 0.765 86.2 45.1 -80.9 -25.9 42.8 -33.3 14.3 143 181 A A E S+h 387 0C 10 243,-1.0 245,-3.1 267,-0.0 2,-0.4 -0.984 71.4 167.0-116.8 123.2 42.5 -34.9 10.8 144 182 A R E +h 388 0C 1 -2,-0.5 30,-1.7 243,-0.2 29,-1.3 -0.996 26.3 59.6-136.5 131.5 43.8 -32.7 8.0 145 183 A G E -hi 389 174C 2 243,-2.1 245,-2.4 -2,-0.4 2,-0.4 -0.968 65.6 -27.6 159.8-141.6 44.5 -33.7 4.5 146 184 A I E -hi 390 175C 0 28,-1.9 30,-3.1 -2,-0.3 2,-0.5 -0.936 19.4-161.3-131.6 134.9 43.5 -35.0 1.1 147 185 A V E - i 0 176C 0 243,-2.6 2,-1.7 -2,-0.4 30,-0.2 -0.973 13.9-154.1-110.9 112.7 41.0 -37.3 -0.5 148 186 A E E + i 0 177C 0 28,-2.5 30,-1.6 -2,-0.5 243,-0.1 -0.710 51.6 131.3 -79.6 86.6 42.0 -38.4 -4.0 149 187 A G + 0 0 2 -2,-1.7 -1,-0.2 30,-0.2 2,-0.1 0.066 27.8 122.9-132.5 23.6 38.4 -38.9 -4.9 150 188 A F - 0 0 2 242,-0.1 30,-1.5 1,-0.1 31,-0.6 -0.425 61.0-111.6 -86.2 161.0 38.0 -37.1 -8.3 151 189 A Y S S+ 0 0 16 29,-0.2 2,-0.2 431,-0.1 211,-0.2 -0.617 78.3 47.8 -83.1 150.7 36.9 -38.4 -11.6 152 190 A G S S- 0 0 11 -2,-0.2 29,-0.5 431,-0.0 211,-0.0 -0.518 104.8 -7.4 108.9-178.5 39.5 -38.6 -14.4 153 191 A T S S- 0 0 96 -2,-0.2 3,-0.1 1,-0.1 29,-0.1 -0.301 74.1-129.3 -54.5 111.2 43.0 -40.0 -14.6 154 192 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 240,-0.1 -0.113 34.3 -87.1 -54.8 156.6 44.1 -41.0 -11.1 155 193 A W - 0 0 5 1,-0.1 240,-0.1 2,-0.1 2,-0.1 -0.327 48.5-114.1 -60.4 149.4 47.5 -39.8 -9.8 156 194 A T > - 0 0 74 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.312 26.2-102.3 -78.2 169.3 50.4 -42.0 -10.7 157 195 A H H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 125.1 49.3 -53.4 -45.2 52.6 -43.9 -8.2 158 196 A Q H > S+ 0 0 162 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 109.2 53.1 -67.4 -35.3 55.3 -41.2 -8.5 159 197 A D H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 109.8 47.9 -62.5 -46.7 52.7 -38.5 -7.9 160 198 A R H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 109.7 50.5 -65.0 -44.1 51.4 -40.1 -4.7 161 199 A L H X S+ 0 0 45 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.891 113.3 46.5 -61.4 -42.7 54.8 -40.7 -3.1 162 200 A D H X S+ 0 0 63 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.853 110.6 53.2 -69.9 -36.4 55.8 -37.1 -3.8 163 201 A Q H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 105.4 54.2 -61.4 -47.6 52.5 -35.9 -2.4 164 202 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.869 107.3 49.8 -58.9 -39.9 53.0 -37.8 0.8 165 203 A K H X S+ 0 0 131 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.910 111.2 51.2 -57.2 -41.7 56.4 -36.2 1.4 166 204 A F H X S+ 0 0 12 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.913 108.7 49.6 -69.5 -38.8 54.6 -32.9 0.8 167 205 A Y H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.4 0.961 109.8 51.6 -60.9 -52.3 51.9 -33.6 3.4 168 206 A G H ><5S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.909 108.2 51.2 -47.6 -51.7 54.4 -34.6 6.0 169 207 A E H 3<5S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.659 115.1 42.9 -64.4 -18.7 56.4 -31.4 5.5 170 208 A N T <<5S- 0 0 8 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.109 115.4-110.4-116.6 17.5 53.2 -29.3 5.9 171 209 A K T < 5 + 0 0 1 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.737 65.6 148.6 59.0 29.3 51.7 -31.3 8.9 172 210 A L < - 0 0 1 -5,-2.2 -1,-0.2 -6,-0.2 -27,-0.2 -0.833 23.2-175.9 -86.4 130.9 48.8 -32.8 6.9 173 211 A N + 0 0 5 -29,-1.3 41,-3.7 -2,-0.5 2,-0.4 0.285 51.0 70.1-116.4 6.5 48.2 -36.2 8.4 174 212 A T E +ij 145 214C 3 -30,-1.7 -28,-1.9 39,-0.2 2,-0.4 -0.993 41.8 172.5-133.5 132.9 45.5 -37.8 6.3 175 213 A Y E -ij 146 215C 2 39,-2.6 41,-3.5 -2,-0.4 2,-0.6 -0.940 16.1-159.5-137.5 116.2 45.4 -39.2 2.7 176 214 A I E -ij 147 216C 0 -30,-3.1 -28,-2.5 -2,-0.4 2,-0.9 -0.854 8.1-148.3-100.4 123.1 42.3 -41.0 1.5 177 215 A Y E +ij 148 217C 4 39,-3.5 41,-2.1 -2,-0.6 78,-0.1 -0.799 47.9 127.1 -90.5 106.6 42.8 -43.3 -1.4 178 216 A A + 0 0 0 -30,-1.6 2,-0.2 -2,-0.9 -1,-0.1 -0.094 26.2 174.6-153.5 48.2 39.5 -43.2 -3.4 179 217 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.416 28.4-141.2 -71.9 133.4 40.0 -42.4 -7.1 180 218 A K T 3 S+ 0 0 8 -30,-1.5 7,-0.4 1,-0.3 -29,-0.2 0.832 99.2 47.0 -63.2 -32.9 36.7 -42.7 -9.0 181 219 A D T 3 S+ 0 0 81 -31,-0.6 -1,-0.3 -29,-0.5 3,-0.1 0.218 77.9 108.6-100.3 11.9 38.3 -44.3 -12.0 182 220 A D X> - 0 0 19 -3,-1.7 4,-1.2 1,-0.2 3,-1.1 -0.816 64.7-148.4 -76.8 115.9 40.4 -46.9 -10.2 183 221 A P T 34>S+ 0 0 45 0, 0.0 5,-3.5 0, 0.0 3,-0.3 0.886 93.1 51.7 -57.9 -38.5 38.5 -50.0 -11.2 184 222 A Y T 345S+ 0 0 56 1,-0.2 9,-0.1 3,-0.2 -3,-0.0 0.609 106.6 56.9 -76.2 -11.4 39.2 -51.9 -8.0 185 223 A H T <45S- 0 0 0 -3,-1.1 35,-2.4 -6,-0.2 -1,-0.2 0.869 133.8 -19.8 -77.8 -38.4 38.0 -49.0 -6.0 186 224 A R T ><5S+ 0 0 30 -4,-1.2 3,-1.7 -3,-0.3 4,-0.2 0.571 127.6 52.7-138.8 -75.5 34.5 -48.8 -7.4 187 225 A E T 3 5S+ 0 0 128 -7,-0.4 -3,-0.2 -5,-0.4 3,-0.1 0.837 134.0 15.2 -46.4 -40.6 33.6 -50.3 -10.9 188 226 A K T > - 0 0 56 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.250 36.1 -94.7 -67.6 166.2 46.9 -57.8 -8.7 195 233 A E H > S+ 0 0 164 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.876 124.1 49.3 -52.3 -46.6 50.4 -58.6 -7.2 196 234 A S H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.842 109.4 49.4 -69.8 -35.9 52.1 -55.6 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55.4 -47.4 4.0 207 245 A A H X S+ 0 0 13 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.845 110.3 53.7 -74.1 -33.0 55.9 -43.8 2.8 208 246 A S H ><>S+ 0 0 2 -4,-1.9 5,-3.0 2,-0.2 3,-0.7 0.930 110.0 45.8 -62.6 -48.7 52.7 -42.7 4.7 209 247 A A H ><5S+ 0 0 56 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.932 110.0 56.2 -61.8 -45.2 54.0 -44.2 7.9 210 248 A E H 3<5S+ 0 0 108 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.754 114.1 39.2 -51.2 -30.0 57.4 -42.5 7.2 211 249 A N T <<5S- 0 0 26 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.156 113.8-111.5-115.2 17.9 55.6 -39.2 6.9 212 250 A K T < 5 + 0 0 25 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.714 69.6 145.0 57.6 30.7 53.1 -39.6 9.8 213 251 A V < - 0 0 6 -5,-3.0 2,-0.9 -6,-0.2 -39,-0.2 -0.825 51.3-132.8-100.5 128.6 50.3 -39.7 7.3 214 252 A D E -j 174 0C 46 -41,-3.7 -39,-2.6 -2,-0.5 2,-0.7 -0.759 20.6-148.7 -76.6 107.2 47.3 -41.9 7.9 215 253 A F E -j 175 0C 10 -2,-0.9 38,-0.7 -41,-0.2 2,-0.6 -0.741 12.5-158.6 -77.6 117.7 46.7 -43.7 4.6 216 254 A V E -jk 176 253C 1 -41,-3.5 -39,-3.5 -2,-0.7 2,-0.9 -0.881 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-0.885 15.9-173.8-105.3 135.7 23.6 -56.7 -2.4 227 265 A F + 0 0 46 -2,-0.4 2,-0.2 8,-0.1 -1,-0.1 0.701 55.3 71.1 -98.6 -25.2 22.3 -56.2 1.1 228 266 A D S >> S- 0 0 105 4,-0.1 4,-1.5 3,-0.0 3,-0.6 -0.636 90.2 -24.1-108.5 155.5 20.0 -59.2 1.8 229 267 A G H >> S- 0 0 57 -2,-0.2 4,-1.8 1,-0.2 3,-0.9 0.049 114.5 -21.0 51.5-154.1 20.3 -63.0 2.3 230 268 A D H 3> S+ 0 0 150 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.769 137.8 56.6 -58.2 -31.5 23.3 -65.0 1.1 231 269 A A H <> S+ 0 0 28 -3,-0.6 4,-2.2 2,-0.2 -5,-0.4 0.821 106.3 51.6 -67.0 -33.8 24.2 -62.4 -1.5 232 270 A G H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 3,-0.7 0.941 107.6 54.3 -61.9 -45.6 29.9 -58.0 2.9 237 275 A N H 3X S+ 0 0 81 -4,-3.4 4,-2.2 1,-0.3 -1,-0.2 0.765 101.9 60.1 -61.1 -22.9 32.6 -60.7 3.0 238 276 A H H 3X S+ 0 0 56 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.3 0.878 104.1 48.6 -71.3 -38.1 34.0 -59.0 -0.1 239 277 A L H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 3,-0.5 0.856 110.9 57.2 -58.1 -38.2 40.0 -54.4 3.8 244 282 A E H 3X S+ 0 0 49 -4,-2.5 4,-2.4 -5,-0.3 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34,-0.3 2,-0.4 -0.950 8.7-165.6-138.3 151.9 39.3 -47.3 6.1 255 293 A A E -kl 218 291C 0 -38,-1.8 -36,-1.6 -2,-0.3 2,-0.5 -0.999 6.1-161.7-140.8 135.1 36.5 -45.5 4.3 256 294 A I E -kl 219 292C 2 35,-2.8 37,-0.8 -2,-0.4 2,-0.4 -0.985 19.5-157.3-121.1 118.5 33.3 -46.8 2.7 257 295 A Y E + l 0 293C 1 -38,-2.5 -35,-0.7 -2,-0.5 35,-0.1 -0.807 25.8 174.4-107.8 135.5 31.7 -44.4 0.3 258 296 A W + 0 0 0 35,-2.4 3,-0.4 -2,-0.4 -1,-0.1 0.254 39.3 129.0-117.1 7.6 28.2 -44.2 -0.9 259 297 A D + 0 0 8 1,-0.2 36,-0.2 34,-0.2 -37,-0.1 -0.309 66.3 14.9 -68.5 147.4 28.3 -41.0 -3.1 260 298 A N S S+ 0 0 45 35,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.897 91.7 127.1 62.5 48.1 27.0 -40.7 -6.7 261 299 A I - 0 0 19 -3,-0.4 -1,-0.2 34,-0.1 -38,-0.1 -0.937 61.4-133.6-133.4 153.4 24.9 -43.9 -6.8 262 300 A Q S S+ 0 0 197 -2,-0.3 2,-0.4 -39,-0.1 -1,-0.1 0.828 81.8 88.6 -75.2 -35.6 21.3 -44.7 -7.7 263 301 A D - 0 0 58 -41,-0.4 -2,-0.1 1,-0.1 32,-0.1 -0.503 50.3-178.9 -71.9 122.7 20.5 -46.9 -4.7 264 302 A K + 0 0 109 -2,-0.4 2,-2.0 31,-0.0 3,-0.2 -0.116 25.9 143.6-115.8 38.2 19.2 -44.8 -1.8 265 303 A S > + 0 0 37 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.507 23.7 179.3 -77.0 76.8 18.7 -47.5 0.8 266 304 A A H > S+ 0 0 6 -2,-2.0 4,-2.6 1,-0.2 5,-0.2 0.876 75.4 46.7 -45.9 -55.5 19.8 -45.4 3.8 267 305 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 113.6 48.4 -61.8 -42.7 19.3 -48.0 6.5 268 306 A K H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 111.2 50.8 -65.3 -38.4 21.1 -50.8 4.5 269 307 A H H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.938 114.0 44.7 -57.2 -49.8 24.0 -48.4 3.8 270 308 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 50,-0.3 0.817 110.0 55.3 -71.4 -27.6 24.2 -47.6 7.5 271 309 A Q H X S+ 0 0 113 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.919 105.8 50.9 -71.8 -39.0 23.9 -51.3 8.4 272 310 A V H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.946 112.3 48.9 -58.1 -48.5 26.9 -52.2 6.2 273 311 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.902 112.5 45.8 -55.9 -50.1 28.9 -49.5 7.9 274 312 A N H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.888 112.1 51.0 -63.5 -42.4 27.9 -50.6 11.5 275 313 A R H X S+ 0 0 76 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.932 113.4 45.2 -62.4 -43.6 28.6 -54.3 10.7 276 314 A F H X>S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 5,-1.5 0.916 110.1 54.7 -65.4 -46.2 32.0 -53.4 9.4 277 315 A N H <>S+ 0 0 2 -4,-2.7 5,-2.7 3,-0.2 6,-0.3 0.910 117.9 36.2 -51.9 -45.1 32.7 -51.1 12.3 278 316 A E H <>S+ 0 0 127 -4,-2.5 5,-0.9 3,-0.2 -2,-0.2 0.962 123.8 38.9 -75.5 -51.5 31.9 -54.0 14.7 279 317 A E H <5S+ 0 0 102 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.686 135.4 13.0 -77.6 -16.3 33.4 -57.0 12.8 280 318 A F T X5S+ 0 0 4 -4,-2.4 4,-2.2 -5,-0.3 -3,-0.2 0.718 124.6 41.3-121.5 -64.2 36.5 -55.1 11.5 281 319 A V H >> S- 0 0 25 29,-0.2 3,-1.3 30,-0.2 4,-0.7 -0.954 84.0-115.8-122.5 156.1 25.7 -31.7 0.4 299 337 A T H >> S+ 0 0 13 30,-2.7 4,-3.1 -2,-0.3 3,-1.4 0.888 114.0 55.9 -57.2 -46.4 23.2 -29.6 2.5 300 338 A G H 34 S+ 0 0 42 30,-1.4 -1,-0.3 1,-0.3 31,-0.1 0.768 115.3 39.6 -52.6 -30.7 21.0 -28.9 -0.5 301 339 A A H <4 S+ 0 0 30 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.488 121.3 44.4 -96.5 -5.4 20.6 -32.6 -1.1 302 340 A M H << S+ 0 0 0 -3,-1.4 7,-2.9 -4,-0.7 2,-0.4 0.732 110.7 47.5-109.0 -32.5 20.4 -33.4 2.6 303 341 A V E < -P 308 0D 19 -4,-3.1 2,-0.4 5,-0.3 -1,-0.2 -0.914 51.1-174.4-125.8 137.8 18.0 -30.8 4.0 304 342 A S E > S-P 307 0D 50 3,-2.4 3,-1.1 -2,-0.4 -4,-0.0 -0.963 80.1 -15.0-135.5 117.1 14.6 -29.5 3.0 305 343 A N T 3 S- 0 0 158 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 0.976 127.1 -52.8 51.6 64.6 13.1 -26.5 4.9 306 344 A G T 3 S+ 0 0 51 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.408 125.0 99.2 60.5 -2.7 15.5 -26.8 7.9 307 345 A Q E < S-P 304 0D 143 -3,-1.1 -3,-2.4 1,-0.0 -1,-0.1 -0.950 79.8-106.8-127.8 129.0 14.6 -30.5 8.1 308 346 A P E -P 303 0D 29 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.108 33.1-115.4 -58.3 143.7 16.5 -33.6 6.8 309 347 A R > - 0 0 106 -7,-2.9 4,-2.7 1,-0.1 5,-0.2 -0.140 39.1 -93.5 -64.5 173.0 15.3 -35.5 3.8 310 348 A A H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 123.8 48.0 -59.0 -52.3 14.1 -39.1 4.2 311 349 A Y H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.937 113.9 45.3 -51.8 -60.4 17.5 -40.6 3.3 312 350 A T H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.933 111.3 52.1 -53.1 -53.3 19.5 -38.3 5.6 313 351 A R H X S+ 0 0 132 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.920 115.3 42.1 -51.9 -47.8 17.2 -38.7 8.6 314 352 A I H X S+ 0 0 56 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.916 114.8 49.9 -69.7 -43.1 17.3 -42.5 8.3 315 353 A F H >X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 3,-0.8 0.971 114.0 45.0 -55.2 -55.7 21.1 -42.6 7.7 316 354 A A H 3< S+ 0 0 16 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.4 55.1 -57.1 -36.4 21.8 -40.3 10.7 317 355 A E H 3< S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.825 120.5 29.9 -67.7 -27.7 19.4 -42.3 12.9 318 356 A T H << S+ 0 0 39 -4,-1.4 2,-0.3 -3,-0.8 -2,-0.2 0.772 89.3 100.0-107.0 -34.1 21.3 -45.6 12.2 319 357 A V S < S- 0 0 4 -4,-2.9 -48,-0.1 -5,-0.2 -49,-0.1 -0.448 82.7-107.6 -68.8 122.2 24.9 -44.8 11.5 320 358 A D > - 0 0 51 -50,-0.3 3,-1.6 -2,-0.3 -1,-0.1 -0.132 22.6-122.6 -53.6 138.0 26.9 -45.5 14.7 321 359 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 107.5 63.4 -56.4 -24.6 28.2 -42.4 16.5 322 360 A S T 3 S+ 0 0 47 2,-0.1 2,-0.2 29,-0.1 -2,-0.1 0.753 82.7 97.7 -74.4 -21.2 31.8 -43.4 16.3 323 361 A I S < S- 0 0 2 -3,-1.6 2,-0.3 -34,-0.1 -32,-0.2 -0.445 75.9-125.9 -71.6 132.6 31.8 -43.3 12.4 324 362 A E E -m 291 0C 31 -34,-3.5 -32,-1.8 -2,-0.2 2,-0.5 -0.639 26.0-160.2 -77.7 134.1 33.2 -40.2 10.7 325 363 A V E -m 292 0C 0 27,-0.4 29,-2.5 -2,-0.3 2,-0.3 -0.983 2.7-152.6-122.9 126.8 30.7 -38.7 8.2 326 364 A M E +n 354 0C 0 -34,-2.0 2,-0.3 -2,-0.5 29,-0.2 -0.748 15.5 174.0-102.0 147.3 31.7 -36.4 5.5 327 365 A W E -n 355 0C 0 27,-2.0 29,-2.1 -2,-0.3 -29,-0.2 -0.962 30.5-136.0-143.3 156.5 29.7 -33.7 3.7 328 366 A T - 0 0 1 -31,-2.8 30,-0.3 1,-0.4 6,-0.3 0.481 51.1-108.6 -93.5 -1.5 30.8 -31.1 1.1 329 367 A G S S- 0 0 0 -32,-0.4 -30,-2.7 1,-0.2 -1,-0.4 -0.752 73.3 -20.4 103.9-158.0 29.0 -28.0 2.6 330 368 A P S S+ 0 0 41 0, 0.0 -30,-1.4 0, 0.0 2,-0.3 0.685 133.2 6.3 -62.9 -22.6 25.9 -26.2 1.2 331 369 A G S S- 0 0 16 -3,-0.2 3,-0.3 5,-0.2 -32,-0.2 -0.916 85.1 -96.0-144.7 173.3 26.6 -27.7 -2.3 332 370 A V S S+ 0 0 21 1,-0.3 26,-0.5 -2,-0.3 2,-0.4 0.951 122.7 10.2 -51.9 -54.0 28.8 -30.2 -4.0 333 371 A V S S+ 0 0 7 119,-0.5 121,-2.0 24,-0.1 -1,-0.3 -0.952 94.7 159.4-129.2 109.5 31.1 -27.2 -5.1 334 372 A T - 0 0 28 -2,-0.4 122,-0.2 -3,-0.3 121,-0.1 -0.859 50.8-116.0-139.1 159.7 30.1 -24.0 -3.3 335 373 A N S S+ 0 0 63 -2,-0.3 2,-0.3 120,-0.2 121,-0.3 0.801 89.7 8.5 -61.4 -31.4 31.5 -20.5 -2.3 336 374 A E - 0 0 108 119,-0.1 41,-0.2 41,-0.0 -5,-0.2 -0.952 41.6-147.7-149.3 153.4 31.2 -21.1 1.4 337 375 A I B -q 377 0E 0 39,-2.5 41,-1.9 -2,-0.3 44,-0.1 -0.837 36.5-160.4-121.3 94.3 30.7 -23.2 4.4 338 376 A P >> - 0 0 41 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.407 30.7-111.3 -60.7 149.5 29.2 -20.7 6.8 339 377 A L H 3> S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.824 117.7 59.1 -47.2 -37.4 29.3 -21.6 10.5 340 378 A S H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.777 99.3 54.8 -71.2 -29.3 25.5 -22.1 10.5 341 379 A D H <> S+ 0 0 11 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.873 110.5 47.3 -67.1 -40.7 25.6 -24.8 7.7 342 380 A A H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.920 111.1 51.1 -63.0 -46.5 28.0 -26.8 9.9 343 381 A Q H X S+ 0 0 106 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.920 111.0 49.8 -58.4 -43.4 25.8 -26.2 12.9 344 382 A L H X S+ 0 0 59 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.956 116.3 38.4 -58.7 -57.1 22.8 -27.5 10.9 345 383 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.855 115.0 52.3 -67.8 -42.2 24.5 -30.7 9.6 346 384 A S H X>S+ 0 0 13 -4,-3.0 4,-1.9 -5,-0.2 5,-1.0 0.824 107.5 57.0 -61.5 -30.3 26.3 -31.5 12.8 347 385 A G H <5S+ 0 0 47 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.969 108.6 43.4 -60.8 -56.5 22.9 -31.1 14.5 348 386 A I H <5S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.898 121.8 39.9 -55.1 -45.8 21.3 -33.7 12.3 349 387 A Y H <5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.702 95.5-144.1 -84.3 -18.3 24.2 -36.1 12.7 350 388 A D T <5 + 0 0 140 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.930 68.7 76.7 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