==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-04 1TOE . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.CHOW,K.E.MCELROY,K.D.CORBETT,J.M.BERGER,J.F.KIRSCH . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 3 0 0 1 2 0 1 2 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 . 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 M 0 0 190 0, 0.0 3,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -27.2 72.5 35.1 4.4 2 6 A F > + 0 0 164 1,-0.1 3,-1.3 2,-0.1 0, 0.0 0.501 360.0 98.2-107.6 -7.5 70.4 37.3 6.7 3 7 A E T 3 S+ 0 0 168 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.774 90.8 39.2 -49.8 -37.5 66.9 35.8 6.1 4 8 A N T 3 S+ 0 0 148 -3,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.398 80.8 123.6-103.5 2.3 66.9 33.6 9.2 5 9 A I < - 0 0 122 -3,-1.3 2,-0.3 1,-0.1 3,-0.1 -0.444 55.6-138.2 -64.3 130.6 68.7 35.9 11.7 6 10 A T - 0 0 123 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.685 26.9 -96.8 -90.5 145.9 66.5 36.3 14.8 7 11 A A - 0 0 95 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.227 41.4-104.2 -59.1 145.3 66.1 39.7 16.4 8 12 A A - 0 0 88 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.502 46.2 -93.7 -65.8 141.6 68.3 40.5 19.4 9 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.374 50.8-102.2 -57.7 127.4 66.4 40.4 22.8 10 14 A A - 0 0 93 1,-0.1 3,-0.1 -2,-0.1 -3,-0.0 -0.247 28.0-126.3 -52.1 134.3 65.2 43.9 23.5 11 15 A D > - 0 0 69 1,-0.2 4,-3.5 -3,-0.1 5,-0.3 -0.810 17.1-154.1 -85.8 110.0 67.4 45.6 26.1 12 16 A P H > S+ 0 0 99 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.770 90.7 50.8 -59.9 -26.0 64.8 46.7 28.7 13 17 A I H > S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 20,-0.2 0.875 116.0 37.7 -83.7 -41.3 67.0 49.6 29.9 14 18 A L H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.829 115.1 57.2 -73.0 -32.5 67.7 51.1 26.5 15 19 A G H X S+ 0 0 35 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.755 102.8 56.3 -63.5 -26.4 64.1 50.2 25.7 16 20 A L H X S+ 0 0 19 -4,-0.6 4,-2.4 -5,-0.3 -2,-0.2 0.922 105.6 47.8 -67.0 -50.3 63.2 52.3 28.8 17 21 A A H X S+ 0 0 36 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.894 111.4 52.2 -58.2 -41.0 65.0 55.4 27.4 18 22 A D H X S+ 0 0 126 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.861 110.4 47.8 -62.1 -39.2 63.2 54.8 24.1 19 23 A L H < S+ 0 0 77 -4,-1.3 4,-0.3 1,-0.2 -2,-0.2 0.858 108.1 56.7 -70.6 -36.8 59.9 54.6 26.0 20 24 A F H >< S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.906 104.4 50.0 -61.2 -45.2 60.7 57.8 27.9 21 25 A R H 3< S+ 0 0 215 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.747 108.3 54.0 -70.9 -22.7 61.3 60.0 24.7 22 26 A A T 3< S+ 0 0 67 -4,-0.8 2,-0.6 -3,-0.2 -1,-0.3 0.481 85.5 105.1 -85.8 -4.6 58.0 58.8 23.3 23 27 A D < - 0 0 21 -3,-1.3 5,-0.1 -4,-0.3 -3,-0.0 -0.697 48.8-172.8 -86.2 117.8 56.2 59.9 26.5 24 28 A E + 0 0 179 -2,-0.6 -1,-0.1 0, 0.0 -4,-0.0 0.511 46.2 117.6 -91.7 -5.1 54.2 63.1 25.9 25 29 A R > - 0 0 95 1,-0.1 3,-0.9 2,-0.1 -2,-0.1 -0.457 61.3-142.4 -60.1 128.7 53.2 63.7 29.6 26 30 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.879 92.2 52.4 -66.0 -42.9 54.8 67.0 30.7 27 31 A G T 3 S+ 0 0 59 2,-0.1 -2,-0.1 360,-0.0 2,-0.0 0.119 76.7 147.8 -85.1 24.3 55.8 66.1 34.3 28 32 A K < - 0 0 62 -3,-0.9 2,-0.5 -5,-0.1 339,-0.2 -0.287 33.3-152.9 -65.1 141.2 57.7 62.9 33.3 29 33 A I E -a 367 0A 8 337,-2.8 339,-3.2 336,-0.1 2,-0.8 -0.969 3.3-149.5-126.2 122.9 60.7 62.0 35.5 30 34 A N E +a 368 0A 26 -2,-0.5 339,-0.1 349,-0.2 337,-0.1 -0.787 33.3 150.2 -99.8 104.3 63.7 60.0 34.4 31 35 A L + 0 0 1 337,-2.7 345,-1.7 -2,-0.8 339,-0.4 0.004 54.5 86.7-113.2 23.8 65.4 58.0 37.1 32 36 A G S S+ 0 0 0 337,-0.2 338,-0.2 343,-0.2 337,-0.1 0.880 71.2 47.6 -88.9 -90.6 66.7 55.2 34.8 33 37 A I S S- 0 0 66 -20,-0.2 2,-1.7 1,-0.1 -1,-0.1 -0.161 88.6-104.3 -64.7 146.5 70.0 55.6 33.0 34 38 A G + 0 0 12 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.512 68.9 133.4 -77.0 81.4 73.1 56.7 35.0 35 39 A L - 0 0 30 -2,-1.7 2,-0.6 312,-0.1 211,-0.1 -0.964 55.7-118.3-129.3 145.3 73.5 60.3 34.0 36 40 A Y - 0 0 21 -2,-0.3 2,-0.4 8,-0.1 343,-0.1 -0.755 29.0-169.2 -86.2 125.0 74.1 63.4 36.1 37 41 A Y - 0 0 25 341,-1.5 6,-0.2 -2,-0.6 343,-0.1 -0.878 15.2-133.5-106.1 144.8 71.3 66.0 35.9 38 42 A D > - 0 0 27 4,-3.0 3,-2.2 -2,-0.4 -1,-0.0 -0.233 43.1 -83.5 -82.7-176.5 71.7 69.5 37.3 39 43 A E T 3 S+ 0 0 104 1,-0.3 344,-0.4 2,-0.1 -1,-0.1 0.647 129.5 58.2 -69.6 -12.6 69.0 71.2 39.5 40 44 A T T 3 S- 0 0 77 2,-0.1 -1,-0.3 342,-0.1 3,-0.1 0.272 119.1-108.3 -95.7 11.2 67.1 72.3 36.3 41 45 A G S < S+ 0 0 37 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.567 80.1 125.2 75.2 10.5 66.8 68.7 35.1 42 46 A K - 0 0 139 1,-0.0 -4,-3.0 0, 0.0 -1,-0.3 -0.597 62.6-132.4 -97.9 162.9 69.3 69.2 32.3 43 47 A I - 0 0 74 -6,-0.2 -6,-0.1 -2,-0.2 -7,-0.0 -0.820 39.3-166.0-114.1 85.4 72.5 67.2 31.5 44 48 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.182 25.0-112.6 -76.0 160.0 75.0 70.0 31.0 45 49 A V - 0 0 71 205,-0.1 204,-0.1 1,-0.0 205,-0.1 -0.833 46.2-108.3 -79.1 132.1 78.5 70.1 29.6 46 50 A L > - 0 0 11 -2,-0.5 4,-2.5 202,-0.5 5,-0.2 -0.283 17.8-128.2 -57.6 143.3 81.0 70.9 32.4 47 51 A T H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 111.4 53.8 -61.7 -41.5 82.5 74.4 32.2 48 52 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 108.6 51.8 -60.6 -37.3 86.1 73.0 32.5 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.949 108.6 48.9 -62.7 -50.0 85.2 70.8 29.5 50 54 A K H X S+ 0 0 120 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 111.9 49.7 -55.4 -45.5 83.9 73.8 27.4 51 55 A K H X S+ 0 0 105 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.911 111.9 48.0 -61.0 -42.9 87.2 75.7 28.3 52 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.923 110.1 51.8 -64.9 -40.7 89.3 72.7 27.3 53 57 A E H X S+ 0 0 44 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.831 108.5 51.7 -62.8 -36.3 87.4 72.3 24.0 54 58 A Q H X S+ 0 0 116 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.920 109.4 50.7 -63.5 -44.1 87.9 76.0 23.2 55 59 A Y H X S+ 0 0 126 -4,-2.0 4,-1.5 1,-0.2 5,-0.2 0.931 111.1 47.0 -60.7 -45.5 91.6 75.5 23.8 56 60 A L H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.900 110.6 53.6 -62.7 -39.9 91.7 72.5 21.5 57 61 A L H < S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.0 40.4 -59.7 -44.6 89.8 74.4 18.8 58 62 A E H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.681 128.3 28.6 -79.1 -19.8 92.3 77.2 18.9 59 63 A N H < S+ 0 0 81 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.680 84.0 104.1-119.7 -25.1 95.5 75.1 19.2 60 64 A E < + 0 0 66 -4,-2.9 3,-0.1 -5,-0.2 -4,-0.0 -0.448 37.3 178.0 -62.1 134.3 95.1 71.7 17.6 61 66 A T + 0 0 141 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.401 60.9 21.5-116.6 1.7 96.9 71.7 14.2 62 67 A T - 0 0 96 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.981 48.6-148.6-157.9 156.7 96.4 68.1 13.1 63 68 A K + 0 0 167 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.024 44.6 158.0-113.6 23.8 94.1 65.0 13.6 64 69 A L - 0 0 120 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.146 54.0 -84.3 -44.9 139.1 97.0 62.6 12.9 65 70 A Y - 0 0 188 1,-0.1 -1,-0.1 222,-0.0 2,-0.1 -0.082 40.7-127.5 -47.9 140.0 96.2 59.1 14.4 66 71 A L - 0 0 42 220,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.412 37.0 -89.5 -71.9 160.9 97.0 58.5 18.1 67 72 A G > - 0 0 43 3,-0.4 3,-2.2 -2,-0.1 -1,-0.2 -0.236 48.8 -94.9 -56.2 162.7 99.2 55.5 19.0 68 73 A I T 3 S+ 0 0 52 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.863 129.3 46.4 -52.2 -37.7 97.2 52.3 19.7 69 74 A D T 3 S- 0 0 44 1,-0.3 30,-2.3 29,-0.1 -1,-0.3 0.347 109.7-133.8 -92.9 5.6 97.2 53.2 23.4 70 75 A G < + 0 0 5 -3,-2.2 -3,-0.4 28,-0.2 -1,-0.3 -0.359 56.1 3.4 86.8-157.5 96.2 56.8 22.9 71 76 A I > - 0 0 28 1,-0.1 4,-1.8 -5,-0.1 3,-0.3 -0.530 56.9-146.4 -75.8 122.7 97.6 60.1 24.4 72 77 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.904 99.6 51.9 -55.6 -45.9 100.6 59.6 26.6 73 78 A E H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 106.6 55.8 -58.9 -36.7 99.7 62.5 29.0 74 79 A F H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.933 108.6 47.4 -59.3 -45.7 96.2 60.9 29.3 75 80 A G H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 112.7 48.6 -61.0 -45.7 97.8 57.6 30.5 76 81 A R H X S+ 0 0 132 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 113.8 45.5 -61.7 -47.7 100.1 59.4 32.9 77 82 A C H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.890 111.9 53.1 -64.5 -41.0 97.2 61.4 34.4 78 83 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.926 108.3 49.1 -60.4 -47.3 95.0 58.3 34.6 79 84 A Q H X S+ 0 0 25 -4,-2.5 4,-3.0 1,-0.2 5,-0.5 0.869 110.1 51.8 -64.2 -34.4 97.7 56.3 36.5 80 85 A E H X S+ 0 0 78 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.922 110.6 47.5 -66.3 -43.1 98.1 59.1 39.0 81 86 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.1 42.1 -59.6 -43.8 94.4 59.3 39.6 82 87 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.922 132.0 16.9 -67.5 -51.1 94.3 55.5 40.0 83 88 A F H < S- 0 0 8 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.582 107.4-106.8-109.5 -13.3 97.4 54.8 42.1 84 89 A G >< - 0 0 5 -4,-2.0 3,-1.8 -5,-0.5 6,-0.2 0.289 41.5 -74.8 90.2 138.1 98.3 58.2 43.6 85 90 A K T 3 S+ 0 0 174 1,-0.3 3,-0.1 -5,-0.2 -5,-0.0 -0.404 122.9 25.8 -65.4 139.8 101.3 60.4 42.6 86 91 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.500 87.7 156.7 79.8 3.9 104.5 58.9 43.9 87 92 A S <> - 0 0 22 -3,-1.8 4,-2.5 1,-0.1 3,-0.4 -0.340 50.8-129.4 -57.0 140.7 103.0 55.5 43.9 88 93 A A H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 6,-0.2 0.774 107.8 63.4 -62.5 -28.1 105.6 52.7 43.7 89 94 A L H 4>S+ 0 0 9 2,-0.2 5,-2.7 1,-0.2 6,-0.6 0.896 109.7 39.2 -62.4 -41.2 103.6 51.1 40.8 90 95 A I H >45S+ 0 0 40 -3,-0.4 3,-1.4 -6,-0.2 -2,-0.2 0.931 116.2 49.8 -73.3 -47.4 104.3 54.2 38.8 91 96 A N H 3<5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.889 114.4 45.4 -58.6 -40.1 107.9 54.6 40.0 92 97 A D T 3<5S- 0 0 99 -4,-2.8 173,-0.4 -5,-0.2 -1,-0.3 0.451 108.5-127.8 -82.3 -2.0 108.6 51.0 39.2 93 98 A K T < 5 + 0 0 146 -3,-1.4 -3,-0.2 -5,-0.1 175,-0.1 0.899 61.6 142.9 54.8 45.5 106.9 51.3 35.8 94 99 A R < + 0 0 37 -5,-2.7 168,-2.2 -6,-0.2 2,-0.4 0.472 51.0 71.6 -89.3 -8.9 104.7 48.3 36.6 95 100 A A E -B 261 0B 6 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.914 52.9-175.3-118.6 140.7 101.6 49.8 34.9 96 101 A R E -B 260 0B 68 164,-2.4 164,-3.1 -2,-0.4 2,-0.4 -0.999 12.5-158.7-130.4 137.6 100.6 50.5 31.3 97 102 A T E -B 259 0B 9 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.947 6.7-162.2-122.2 130.2 97.4 52.2 30.3 98 103 A A E -B 258 0B 0 160,-2.7 160,-2.7 -2,-0.4 2,-0.3 -0.964 23.3-130.4-106.8 125.0 95.5 52.2 27.0 99 104 A Q E -B 257 0B 1 -30,-2.3 158,-0.3 -2,-0.5 156,-0.0 -0.607 38.3-175.0 -63.3 130.9 93.0 55.0 26.4 100 105 A T E -B 256 0B 0 156,-2.2 156,-1.9 -2,-0.3 2,-1.9 -0.841 39.8 -88.3-130.9 163.2 89.8 53.2 25.3 101 106 A P S > S- 0 0 31 0, 0.0 4,-1.2 0, 0.0 154,-0.3 -0.584 94.3 -48.5 -73.0 84.3 86.3 54.2 24.0 102 107 A G H > S- 0 0 0 -2,-1.9 4,-1.6 152,-0.4 154,-0.3 0.037 78.0 -67.7 81.4 173.3 84.8 54.5 27.5 103 108 A G H > S+ 0 0 1 152,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.830 136.0 57.9 -61.7 -35.2 84.9 52.1 30.4 104 109 A S H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 106.0 48.4 -60.9 -45.7 82.8 49.7 28.3 105 110 A G H X S+ 0 0 13 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.883 109.9 52.9 -59.1 -39.4 85.5 49.8 25.7 106 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.848 107.3 51.4 -67.9 -34.0 88.1 49.1 28.4 107 112 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.913 110.6 48.1 -67.4 -46.3 86.1 46.1 29.7 108 113 A R H X S+ 0 0 86 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.902 111.4 50.0 -59.2 -46.6 86.0 44.6 26.2 109 114 A V H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.942 112.7 47.1 -58.3 -48.6 89.7 45.1 25.6 110 115 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.908 113.7 48.4 -56.6 -46.0 90.5 43.5 29.0 111 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.938 113.4 46.4 -63.7 -47.5 88.2 40.6 28.2 112 117 A D H X S+ 0 0 18 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.919 113.2 50.5 -59.6 -44.3 89.7 40.1 24.7 113 118 A F H X S+ 0 0 13 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.943 113.9 44.3 -57.9 -51.0 93.2 40.3 26.2 114 119 A L H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 6,-0.4 0.898 114.1 48.4 -59.1 -46.6 92.4 37.7 28.9 115 120 A A H < S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 119.3 38.7 -65.7 -39.1 90.6 35.3 26.5 116 121 A K H < S+ 0 0 131 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.645 127.2 29.1 -87.1 -16.4 93.4 35.4 23.9 117 122 A N H < S+ 0 0 62 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.2 0.479 112.0 43.7-127.2 -7.3 96.5 35.5 26.1 118 123 A T S < S- 0 0 58 -4,-1.7 0, 0.0 -5,-0.2 0, 0.0 -0.790 79.8-105.7-132.8 179.0 95.9 33.7 29.4 119 124 A S + 0 0 107 -2,-0.2 -4,-0.1 -3,-0.0 -5,-0.1 0.373 68.7 138.0 -84.6 2.1 94.3 30.6 30.9 120 125 A V + 0 0 16 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.259 18.1 163.6 -55.6 124.7 91.4 32.7 32.2 121 126 A K + 0 0 127 1,-0.2 22,-2.3 51,-0.2 2,-0.3 0.622 58.9 31.6-111.2 -22.1 88.1 30.8 31.7 122 129 A R E -c 143 0B 24 20,-0.2 52,-2.5 50,-0.2 2,-0.4 -0.983 53.2-152.9-144.7 153.0 85.8 32.7 34.1 123 133 A V E -cd 144 174B 1 20,-2.5 22,-2.7 -2,-0.3 2,-0.5 -0.967 17.8-141.2-119.5 130.7 84.9 36.0 35.7 124 134 A W E -cd 145 175B 1 50,-2.9 52,-3.1 -2,-0.4 2,-0.3 -0.814 22.5-176.7 -89.7 125.3 83.2 36.4 39.0 125 135 A V E -c 146 0B 5 20,-3.0 22,-2.5 -2,-0.5 4,-0.1 -0.907 29.7-102.4-115.6 151.7 80.7 39.3 39.2 126 136 A S E -c 147 0B 0 -2,-0.3 22,-0.2 20,-0.2 23,-0.1 -0.368 41.3-101.1 -65.8 149.4 78.7 40.5 42.2 127 137 A N E S+c 148 0B 81 20,-2.5 23,-0.9 1,-0.2 22,-0.6 -0.976 113.9 30.8-109.0 113.1 75.0 39.6 42.6 128 138 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.592 91.7 150.9 -87.3 168.8 73.6 41.9 41.8 129 139 A S - 0 0 24 -2,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.928 57.2 -70.6-142.9 167.7 75.8 43.7 39.2 130 140 A W > - 0 0 28 53,-0.8 3,-1.8 -2,-0.3 4,-0.5 -0.490 49.0-133.3 -52.2 121.3 75.5 46.0 36.2 131 141 A P T 3> S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.758 98.1 70.6 -60.7 -24.4 74.0 43.6 33.5 132 142 A N H 3> S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.712 84.4 70.4 -67.3 -20.6 76.5 44.6 30.9 133 143 A H H <> S+ 0 0 0 -3,-1.8 4,-2.3 2,-0.2 5,-0.3 0.971 101.2 43.0 -60.6 -52.3 79.3 42.8 32.7 134 144 A K H > S+ 0 0 118 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.904 114.5 52.2 -56.9 -45.9 78.0 39.4 31.9 135 145 A S H X S+ 0 0 82 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.905 110.9 45.1 -58.2 -49.6 77.2 40.4 28.3 136 146 A V H X S+ 0 0 25 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.944 116.6 44.4 -63.2 -51.5 80.7 41.8 27.6 137 147 A F H <>S+ 0 0 1 -4,-2.3 5,-2.7 -5,-0.2 3,-0.3 0.909 113.7 50.1 -62.4 -43.9 82.6 38.8 29.1 138 148 A N H ><5S+ 0 0 64 -4,-2.7 3,-1.9 -5,-0.3 -1,-0.2 0.914 107.3 55.0 -59.3 -43.6 80.3 36.2 27.5 139 149 A S H 3<5S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.0 53.8 -61.2 -29.1 80.8 37.9 24.1 140 150 A A T 3<5S- 0 0 17 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.485 128.4-100.0 -82.0 -2.0 84.6 37.5 24.6 141 151 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.630 80.8 132.8 91.8 18.9 84.1 33.8 25.2 142 152 A L < - 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0 0 59 0, 0.0 4,-0.7 0, 0.0 3,-0.0 -0.557 32.8-153.0 -73.6 131.8 89.2 58.8 19.6 288 300 A A H > S+ 0 0 38 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.827 74.4 70.0 -75.4 -40.2 91.2 61.8 20.5 289 301 A H H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 102.4 38.6 -57.1 -58.6 88.7 64.6 21.4 290 302 A G H > S+ 0 0 1 -37,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.928 119.8 47.5 -59.7 -44.8 87.3 63.4 24.7 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.7 -38,-0.2 -1,-0.2 0.856 109.8 52.3 -66.2 -36.5 90.6 62.1 26.0 292 304 A S H X S+ 0 0 17 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.864 107.8 53.6 -63.7 -38.3 92.5 65.3 24.9 293 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.956 111.9 44.7 -57.4 -48.1 89.9 67.2 26.9 294 306 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.926 115.1 46.2 -63.6 -48.0 90.6 65.1 30.0 295 307 A A H X S+ 0 0 6 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.890 111.6 52.7 -62.8 -37.4 94.4 65.3 29.6 296 308 A T H < S+ 0 0 27 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.926 115.0 42.5 -66.4 -42.3 94.2 69.1 29.0 297 309 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 7,-0.4 0.956 114.7 46.7 -65.6 -55.3 92.2 69.4 32.2 298 310 A L H 3< S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 115.2 47.9 -63.9 -24.3 94.1 67.0 34.5 299 311 A S T 3< S+ 0 0 62 -4,-1.7 2,-0.5 -5,-0.3 -1,-0.3 0.450 98.1 74.6-101.5 3.4 97.5 68.5 33.4 300 312 A N S <> S- 0 0 74 -3,-1.3 4,-2.8 -4,-0.4 5,-0.2 -0.970 70.3-147.0-115.6 121.5 96.6 72.3 33.8 301 313 A D H > S+ 0 0 148 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.872 96.8 46.0 -52.0 -47.4 96.5 73.6 37.4 302 314 A A H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 116.8 42.3 -66.3 -49.9 93.7 76.1 36.7 303 315 A L H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.875 113.0 53.7 -63.6 -39.0 91.4 73.8 34.7 304 316 A R H X S+ 0 0 52 -4,-2.8 4,-2.8 -7,-0.4 -1,-0.2 0.886 107.4 51.6 -65.3 -39.1 92.0 71.0 37.1 305 317 A A H X S+ 0 0 63 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.928 112.2 45.9 -59.4 -46.9 90.9 73.2 40.1 306 318 A I H X S+ 0 0 68 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.942 114.7 47.6 -63.8 -47.2 87.7 74.2 38.3 307 319 A W H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.907 108.5 53.3 -60.0 -46.8 87.0 70.6 37.3 308 320 A E H X S+ 0 0 77 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.863 110.9 48.1 -59.2 -37.2 87.6 69.2 40.7 309 321 A Q H X S+ 0 0 100 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.873 108.9 52.5 -69.0 -40.2 85.2 71.7 42.2 310 322 A E H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.910 111.1 47.9 -59.9 -42.4 82.6 70.9 39.5 311 323 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.921 110.7 50.6 -62.6 -46.5 82.9 67.2 40.5 312 324 A T H X S+ 0 0 30 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.924 108.5 53.4 -54.2 -46.1 82.6 68.1 44.2 313 325 A D H X S+ 0 0 80 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 110.2 47.7 -55.1 -45.3 79.4 70.1 43.2 314 326 A M H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.957 112.3 47.7 -63.9 -53.1 78.0 67.0 41.5 315 327 A R H X S+ 0 0 30 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 114.2 47.3 -51.6 -46.4 78.7 64.6 44.4 316 328 A Q H X S+ 0 0 80 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.854 107.9 55.2 -70.7 -33.0 77.3 67.1 46.9 317 329 A R H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.931 109.1 48.2 -64.2 -42.3 74.1 67.6 44.9 318 330 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.934 109.8 51.9 -61.1 -44.6 73.5 63.9 44.8 319 331 A Q H X S+ 0 0 87 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.888 109.6 50.8 -60.5 -38.8 74.1 63.7 48.6 320 332 A R H X S+ 0 0 138 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.885 109.7 49.5 -63.2 -41.3 71.5 66.5 49.0 321 333 A M H X S+ 0 0 8 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.871 106.4 56.1 -68.5 -39.2 69.0 64.6 46.9 322 334 A R H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.933 113.9 40.5 -50.4 -51.1 69.5 61.4 48.9 323 335 A Q H X S+ 0 0 78 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 115.7 49.7 -68.1 -43.1 68.6 63.4 52.1 324 336 A L H X S+ 0 0 54 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.904 108.6 54.9 -63.4 -41.8 65.8 65.3 50.4 325 337 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.940 111.3 42.5 -55.7 -53.6 64.3 62.0 49.0 326 338 A V H X S+ 0 0 20 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.861 115.5 50.6 -66.4 -32.4 64.1 60.4 52.4 327 339 A N H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 112.1 45.4 -66.3 -47.5 62.8 63.5 54.0 328 340 A T H X S+ 0 0 9 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.841 109.7 56.4 -69.0 -34.9 60.1 64.0 51.4 329 341 A L H <>S+ 0 0 1 -4,-2.2 5,-2.4 -5,-0.3 4,-0.2 0.920 109.6 45.4 -58.6 -46.9 59.1 60.3 51.6 330 342 A Q H ><5S+ 0 0 148 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.947 115.2 47.6 -61.4 -48.5 58.6 60.7 55.4 331 343 A E H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.762 107.6 56.9 -61.7 -29.2 56.6 63.9 54.9 332 344 A K T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.382 123.0-100.0 -91.5 1.6 54.5 62.4 52.1 333 345 A G T < 5 + 0 0 52 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.567 59.3 166.7 95.9 12.6 53.2 59.5 54.3 334 346 A A < - 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0 0 6 -2,-0.2 4,-1.9 -60,-0.1 3,-0.1 -0.951 46.4-105.6-140.5 160.7 65.7 67.7 41.8 382 394 A P H > S+ 0 0 78 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.868 122.3 51.8 -52.4 -37.8 64.0 70.1 44.3 383 395 A D H 4 S+ 0 0 137 -344,-0.4 3,-0.1 1,-0.2 -343,-0.1 0.868 117.5 34.6 -70.7 -38.4 61.4 70.7 41.5 384 396 A N H > S+ 0 0 26 1,-0.1 4,-2.2 -3,-0.1 -1,-0.2 0.566 95.6 87.3 -92.4 -7.5 60.5 67.1 40.8 385 397 A M H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.890 86.0 49.9 -61.7 -45.6 60.9 65.7 44.3 386 398 A A H X S+ 0 0 34 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.956 114.8 41.6 -62.5 -54.0 57.4 66.3 45.6 387 399 A P H > S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 115.5 53.9 -59.4 -36.6 55.5 64.7 42.6 388 400 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.959 112.0 41.8 -60.7 -52.2 58.1 61.9 42.6 389 401 A C H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.830 110.9 55.5 -69.7 -32.4 57.5 61.0 46.3 390 402 A E H X S+ 0 0 101 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.893 109.3 49.7 -64.7 -38.1 53.7 61.4 46.0 391 403 A A H X S+ 0 0 4 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.909 111.2 47.3 -64.1 -47.4 53.9 58.8 43.2 392 404 A I H >X S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 3,-1.0 0.961 110.8 51.3 -59.6 -51.3 56.0 56.4 45.2 393 405 A V H >< S+ 0 0 39 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.893 106.3 56.8 -52.6 -40.7 53.7 56.7 48.3 394 407 A A H 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.823 110.0 43.8 -62.1 -30.2 50.8 56.0 46.0 395 408 A V H << 0 0 8 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.587 360.0 360.0 -96.3 -9.8 52.3 52.7 44.9 396 409 A L << 0 0 75 -4,-1.2 -43,-0.0 -3,-0.6 -3,-0.0 -0.266 360.0 360.0 -65.7 360.0 53.5 51.3 48.2