==== 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 13-AUG-98 1BP6 . COMPND 2 MOLECULE: PROTEIN (THYMIDYLATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.J.MORSE,J.S.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 1 1 1 1 0 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 M > 0 0 137 0, 0.0 3,-1.4 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 146.0 4.1 28.7 -44.8 2 2 A L T 3 + 0 0 29 1,-0.3 4,-0.2 2,-0.1 45,-0.1 0.831 360.0 52.0 -51.4 -44.7 3.3 32.4 -45.3 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.4 2,-0.1 3,-1.3 0.566 78.8 100.3 -76.9 -3.7 6.7 33.5 -46.6 4 4 A Q H <> S+ 0 0 63 -3,-1.4 4,-3.1 1,-0.3 5,-0.3 0.851 72.6 62.8 -48.9 -44.4 6.8 30.8 -49.2 5 5 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.879 104.7 47.8 -51.0 -40.0 5.7 33.2 -52.0 6 6 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.895 111.4 49.0 -68.7 -40.8 8.9 35.2 -51.4 7 7 A L H X S+ 0 0 4 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.913 110.8 51.3 -65.2 -39.7 11.1 32.0 -51.4 8 8 A D H X S+ 0 0 79 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.889 107.1 54.1 -62.0 -40.1 9.4 30.9 -54.7 9 9 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.917 107.2 51.1 -60.2 -43.7 10.1 34.4 -56.2 10 10 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 111.4 47.3 -60.6 -44.2 13.8 33.9 -55.3 11 11 A K H X S+ 0 0 86 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.961 109.6 52.3 -62.2 -53.3 13.9 30.5 -57.0 12 12 A K H X>S+ 0 0 81 -4,-2.6 4,-1.5 1,-0.2 5,-0.5 0.872 112.4 45.5 -52.1 -43.2 12.1 31.7 -60.2 13 13 A V H X5S+ 0 0 0 -4,-2.0 4,-1.7 3,-0.2 -1,-0.2 0.897 109.8 55.9 -69.7 -39.3 14.6 34.5 -60.6 14 14 A L H <5S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.935 123.3 23.5 -59.8 -46.6 17.5 32.3 -59.9 15 15 A D H <5S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.447 138.4 26.3-103.9 3.2 16.6 29.8 -62.7 16 16 A E H <5S+ 0 0 112 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.478 87.7 107.0-135.4 -17.2 14.5 32.0 -65.0 17 17 A G << - 0 0 11 -4,-1.7 2,-0.3 -5,-0.5 14,-0.2 -0.457 64.1-135.3 -67.4 138.9 15.7 35.6 -64.5 18 18 A H E -A 30 0A 125 12,-2.4 12,-1.8 -2,-0.1 2,-0.3 -0.783 24.2 -98.9 -99.9 146.6 17.7 36.8 -67.4 19 19 A F E +A 29 0A 124 -2,-0.3 10,-0.2 10,-0.2 -1,-0.0 -0.453 49.2 169.9 -64.6 117.6 20.9 38.7 -67.1 20 20 A K E -A 28 0A 93 8,-2.6 8,-1.5 -2,-0.3 2,-0.4 -0.995 27.0-133.9-130.8 133.6 20.2 42.4 -67.5 21 21 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 8,-0.0 -0.751 20.8-160.6 -90.0 138.3 22.8 45.2 -66.7 22 22 A D > - 0 0 36 -2,-0.4 3,-1.4 1,-0.0 6,-0.0 -0.504 42.9 -72.2-105.0-178.3 21.7 48.2 -64.7 23 23 A I T 3 S+ 0 0 164 1,-0.3 293,-0.0 -2,-0.2 -1,-0.0 0.827 133.1 29.8 -39.8 -51.5 23.2 51.7 -64.3 24 24 A T T 3 S- 0 0 61 291,-0.0 -1,-0.3 3,-0.0 292,-0.1 0.519 101.3-128.8 -94.8 -3.1 26.2 50.6 -62.2 25 25 A H < + 0 0 135 -3,-1.4 -2,-0.1 1,-0.1 3,-0.0 0.773 60.1 143.3 62.6 27.5 26.5 47.1 -63.7 26 26 A T - 0 0 33 1,-0.1 2,-0.1 236,-0.0 -1,-0.1 0.975 67.5-124.9 -56.2 -40.4 26.5 45.4 -60.3 27 27 A G - 0 0 1 235,-0.1 235,-2.5 234,-0.1 236,-0.4 0.042 31.1-150.4 106.1 137.6 24.6 43.0 -62.5 28 28 A T E -AB 20 261A 1 -8,-1.5 -8,-2.6 233,-0.3 2,-0.5 -0.978 15.7-147.2-142.4 153.7 21.1 41.6 -62.1 29 29 A Y E +AB 19 260A 68 231,-2.1 231,-2.6 -2,-0.3 2,-0.3 -0.963 42.5 173.2-111.2 128.9 19.1 38.6 -63.0 30 30 A S E -AB 18 259A 5 -12,-1.8 -12,-2.4 -2,-0.5 2,-0.3 -0.991 33.0-164.4-148.0 161.0 15.5 39.7 -63.5 31 31 A I E - B 0 258A 16 227,-1.8 227,-1.5 -2,-0.3 2,-0.4 -0.813 20.8-138.7-128.8 164.9 12.0 38.9 -64.5 32 32 A F E S+ B 0 257A 153 -2,-0.3 225,-0.2 1,-0.2 224,-0.2 -0.998 71.0 28.7-132.6 126.6 9.2 41.4 -65.3 33 33 A G E + 0 0 48 223,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.765 67.4 153.8 90.4 101.2 5.6 40.9 -64.2 34 34 A H E - B 0 255A 39 221,-1.4 221,-3.4 -3,-0.1 2,-0.4 -0.986 22.3-163.7-158.1 149.7 5.0 39.0 -61.0 35 35 A Q E + B 0 254A 103 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.976 6.9 177.5-144.5 124.8 2.4 38.7 -58.2 36 36 A M E - B 0 253A 8 217,-2.5 217,-2.6 -2,-0.4 2,-0.4 -0.861 12.5-157.2-118.0 158.1 2.5 37.2 -54.7 37 37 A R E - B 0 252A 116 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -1.000 2.9-161.7-141.5 137.6 -0.3 37.3 -52.2 38 38 A F E - B 0 251A 2 213,-2.7 213,-2.7 -2,-0.4 2,-1.0 -0.971 15.4-140.7-121.7 134.2 -0.3 37.0 -48.4 39 39 A D E >> - B 0 250A 55 -2,-0.4 3,-2.3 211,-0.2 4,-0.5 -0.802 11.1-164.3 -95.1 102.7 -3.2 36.1 -46.2 40 40 A L T 34 S+ 0 0 8 209,-1.2 -1,-0.1 -2,-1.0 210,-0.1 0.523 83.2 72.4 -66.4 -5.6 -2.8 38.4 -43.1 41 41 A S T 34 S+ 0 0 71 208,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.663 95.9 52.0 -82.5 -15.7 -5.3 36.2 -41.2 42 42 A K T <4 S- 0 0 145 -3,-2.3 2,-0.2 1,-0.4 -2,-0.2 0.664 127.7 -66.3 -90.4 -21.2 -2.6 33.5 -41.1 43 43 A G < - 0 0 10 -4,-0.5 -1,-0.4 -41,-0.1 238,-0.2 -0.829 61.7 -58.9 152.7 170.9 0.0 35.8 -39.6 44 44 A F - 0 0 2 236,-2.5 2,-2.2 -2,-0.2 187,-0.1 -0.701 48.1-128.2 -82.8 128.4 2.2 38.8 -40.3 45 45 A P + 0 0 3 0, 0.0 2,-0.6 0, 0.0 186,-0.1 -0.295 54.7 143.9 -74.4 54.3 4.5 38.1 -43.4 46 46 A L - 0 0 2 -2,-2.2 -43,-0.1 234,-0.1 182,-0.1 -0.870 60.8-106.7 -94.2 121.6 7.8 39.1 -41.7 47 47 A L - 0 0 3 -2,-0.6 5,-0.4 180,-0.2 3,-0.1 -0.230 34.0-175.1 -48.9 133.4 10.4 36.7 -43.1 48 48 A T S S+ 0 0 0 229,-0.1 259,-1.9 1,-0.1 -1,-0.2 0.634 75.9 72.7-103.9 -21.3 11.5 34.1 -40.6 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.2 257,-0.2 -1,-0.1 0.390 113.6 22.2 -75.2 9.0 14.3 32.5 -42.8 50 50 A K S S- 0 0 18 -3,-0.1 -1,-0.2 257,-0.1 259,-0.2 -0.778 92.1-106.7-174.9 122.5 16.3 35.7 -42.1 51 51 A K - 0 0 124 256,-0.8 259,-0.2 257,-0.3 -3,-0.1 -0.374 34.3-167.5 -59.4 124.7 16.0 38.3 -39.2 52 52 A V - 0 0 3 -5,-0.4 2,-1.4 -2,-0.2 3,-0.1 -0.968 26.8-120.0-119.5 123.4 14.5 41.6 -40.4 53 53 A P >> - 0 0 56 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.379 29.8-176.7 -62.8 88.5 14.7 44.7 -38.1 54 54 A F H 3> S+ 0 0 20 -2,-1.4 4,-2.6 1,-0.3 3,-0.4 0.790 76.7 67.6 -58.4 -31.4 11.0 45.4 -37.7 55 55 A G H 3> S+ 0 0 39 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.883 98.0 53.9 -57.8 -36.8 11.8 48.5 -35.7 56 56 A L H <> S+ 0 0 45 -3,-1.1 4,-1.2 1,-0.2 -1,-0.3 0.813 111.5 42.4 -67.6 -35.6 13.1 50.1 -38.9 57 57 A I H X S+ 0 0 1 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.823 112.7 54.7 -81.9 -28.2 10.0 49.4 -40.9 58 58 A K H X S+ 0 0 33 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.941 113.6 39.2 -69.7 -45.0 7.8 50.5 -38.0 59 59 A S H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.826 114.9 53.1 -75.2 -32.2 9.4 53.9 -37.6 60 60 A E H X S+ 0 0 29 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.866 110.8 47.9 -70.2 -35.9 9.8 54.4 -41.3 61 61 A L H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.932 111.1 48.7 -70.0 -46.8 6.1 53.7 -41.8 62 62 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 6,-0.3 0.906 107.0 58.6 -58.0 -40.1 5.0 56.1 -39.1 63 63 A W H <>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-0.3 0.946 109.7 42.1 -54.0 -50.5 7.3 58.7 -40.6 64 64 A F H ><5S+ 0 0 6 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.917 111.0 57.8 -61.4 -47.5 5.3 58.4 -43.9 65 65 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 101.3 53.7 -52.0 -41.6 2.0 58.3 -42.0 66 66 A H T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.505 114.5-118.4 -73.9 -6.1 2.7 61.7 -40.3 67 67 A G T < 5 + 0 0 23 -3,-2.0 -3,-0.2 -4,-0.2 2,-0.2 0.738 63.0 156.0 73.4 22.0 3.3 63.1 -43.7 68 68 A D < + 0 0 48 -5,-1.8 79,-0.3 -6,-0.3 -1,-0.2 -0.489 28.2 173.4 -82.6 149.6 6.8 63.9 -42.6 69 69 A T + 0 0 18 78,-0.2 73,-3.1 -2,-0.2 2,-0.5 0.163 47.2 107.8-137.8 9.5 9.6 64.3 -45.0 70 70 A N B > -F 141 0B 30 71,-0.3 3,-1.2 72,-0.1 4,-0.5 -0.873 63.4-143.1-101.7 124.8 12.3 65.4 -42.6 71 71 A I T >> S+ 0 0 0 69,-2.8 4,-1.7 -2,-0.5 3,-1.3 0.797 88.0 81.6 -49.9 -38.8 15.1 63.0 -41.7 72 72 A R H 3> S+ 0 0 45 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.814 86.3 55.6 -40.1 -48.0 15.3 64.2 -38.1 73 73 A F H <> S+ 0 0 26 -3,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.896 108.4 49.6 -54.7 -44.3 12.3 62.0 -37.0 74 74 A L H X4>S+ 0 0 0 -3,-1.3 5,-2.8 -4,-0.5 3,-1.5 0.940 110.3 48.4 -60.7 -49.9 14.1 58.9 -38.4 75 75 A L H ><5S+ 0 0 5 -4,-1.7 3,-2.2 1,-0.3 -1,-0.2 0.862 102.5 63.0 -61.0 -35.7 17.4 59.7 -36.6 76 76 A Q H 3<5S+ 0 0 108 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.726 110.9 40.4 -60.8 -22.1 15.5 60.3 -33.3 77 77 A H T <<5S- 0 0 57 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.086 121.5-106.8-113.0 19.9 14.5 56.6 -33.6 78 78 A R T < 5S+ 0 0 177 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.742 71.2 145.8 60.9 31.2 18.0 55.4 -34.8 79 79 A N < + 0 0 0 -5,-2.8 3,-0.4 -6,-0.1 -1,-0.2 -0.806 19.9 171.0-103.6 100.9 16.7 54.9 -38.4 80 80 A H + 0 0 71 -2,-0.8 4,-0.4 1,-0.2 3,-0.2 0.082 42.2 113.2 -98.3 28.3 19.4 55.7 -40.9 81 81 A I S S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.906 84.8 33.8 -64.2 -43.9 17.6 54.3 -44.0 82 82 A W S >> S+ 0 0 34 -3,-0.4 3,-1.2 1,-0.1 4,-1.0 0.502 88.3 104.6 -93.8 -3.0 17.2 57.7 -45.7 83 83 A D H >> S+ 0 0 5 1,-0.2 4,-3.3 -3,-0.2 3,-1.5 0.874 72.8 55.1 -42.6 -65.4 20.4 59.4 -44.6 84 84 A E H 3> S+ 0 0 65 -4,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.736 104.0 55.9 -47.4 -29.4 22.5 59.3 -47.8 85 85 A W H <> S+ 0 0 85 -3,-1.2 4,-0.7 2,-0.2 -1,-0.3 0.869 116.3 36.4 -73.7 -34.1 19.9 61.0 -49.8 86 86 A A H XX S+ 0 0 3 -3,-1.5 4,-1.5 -4,-1.0 3,-0.7 0.901 115.7 53.5 -80.9 -46.0 19.9 64.0 -47.4 87 87 A F H 3X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 5,-0.2 0.854 99.4 65.9 -56.7 -36.6 23.6 63.8 -46.8 88 88 A E H 3X S+ 0 0 64 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.901 103.9 44.1 -52.9 -43.8 24.1 63.9 -50.6 89 89 A K H << S+ 0 0 130 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.823 107.4 58.3 -73.1 -33.1 22.7 67.5 -50.6 90 90 A W H < S+ 0 0 20 -4,-1.5 3,-0.4 49,-0.2 -1,-0.2 0.842 111.7 42.9 -63.8 -35.3 24.7 68.6 -47.6 91 91 A V H < S+ 0 0 15 -4,-1.9 2,-2.0 1,-0.2 -2,-0.2 0.936 109.0 56.5 -75.7 -49.8 27.8 67.7 -49.5 92 92 A K S < S+ 0 0 154 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 -0.322 97.9 87.9 -81.0 58.2 26.8 69.2 -52.8 93 93 A S S S- 0 0 37 -2,-2.0 -3,-0.1 -3,-0.4 -4,-0.0 -0.710 85.6-101.4-139.7-170.3 26.2 72.6 -51.4 94 94 A D S S+ 0 0 157 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.0 0.733 112.9 51.8 -90.2 -29.2 27.8 76.0 -50.6 95 95 A E S S+ 0 0 97 -5,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.645 79.4 112.7 -84.6 -13.2 28.3 75.6 -46.8 96 96 A Y + 0 0 28 -6,-0.2 2,-0.4 -5,-0.1 -5,-0.1 -0.436 38.9 174.5 -65.4 113.2 30.0 72.2 -47.1 97 97 A H + 0 0 148 -2,-0.5 -1,-0.1 2,-0.0 -3,-0.0 -0.722 44.2 70.5-121.6 78.9 33.6 72.8 -46.0 98 98 A G S S- 0 0 41 -2,-0.4 -2,-0.0 -7,-0.1 0, 0.0 -0.890 84.5 -23.5-164.4-166.4 35.2 69.4 -46.0 99 99 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.134 69.2 -97.6 -56.2 152.8 36.6 66.4 -48.1 100 100 A D - 0 0 75 1,-0.2 3,-0.1 2,-0.0 4,-0.1 0.732 42.8-176.7 -38.9 -46.7 35.3 65.9 -51.7 101 101 A M > + 0 0 0 1,-0.2 3,-1.4 2,-0.1 2,-0.2 0.518 26.2 151.7 53.6 7.7 32.7 63.2 -50.7 102 102 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 -0.478 70.6 3.5 -70.7 132.9 31.9 62.8 -54.4 103 103 A D T >> S+ 0 0 94 -2,-0.2 4,-3.0 -3,-0.1 3,-1.5 0.794 86.5 161.1 60.8 33.2 30.7 59.3 -55.3 104 104 A F H <> + 0 0 19 -3,-1.4 4,-2.4 1,-0.3 5,-0.3 0.852 62.7 57.2 -53.0 -47.8 30.9 58.4 -51.6 105 105 A G H 34 S+ 0 0 26 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.717 119.5 33.4 -60.4 -19.9 28.6 55.4 -51.6 106 106 A H H <> S+ 0 0 56 -3,-1.5 4,-1.5 2,-0.1 -2,-0.2 0.857 116.2 51.3 -99.8 -52.7 30.9 53.8 -54.1 107 107 A R H < S+ 0 0 92 -4,-3.0 7,-0.3 1,-0.2 8,-0.2 0.810 105.4 60.4 -54.7 -35.6 34.4 55.2 -53.2 108 108 A S T >< S+ 0 0 19 -4,-2.4 3,-2.2 -5,-0.3 7,-0.5 0.968 103.8 47.6 -58.3 -54.4 33.8 54.0 -49.6 109 109 A Q T 34 S+ 0 0 88 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 114.8 47.0 -57.2 -33.8 33.4 50.4 -50.6 110 110 A K T 3< S+ 0 0 136 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.126 117.2 46.4 -96.0 19.7 36.6 50.6 -52.7 111 111 A D <> - 0 0 54 -3,-2.2 4,-2.5 -5,-0.1 3,-0.4 -0.617 56.4-164.5-165.9 103.8 38.5 52.3 -49.9 112 112 A P T 4 S+ 0 0 116 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.507 98.0 52.1 -65.6 -5.2 38.7 51.4 -46.2 113 113 A E T >> S+ 0 0 150 2,-0.1 4,-1.5 3,-0.1 3,-0.7 0.775 108.9 45.5 -99.1 -36.8 40.2 54.9 -45.6 114 114 A F H 3> S+ 0 0 8 -3,-0.4 4,-3.1 -7,-0.3 5,-0.5 0.890 103.5 65.6 -72.2 -37.8 37.5 56.9 -47.4 115 115 A A H 3< S+ 0 0 40 -4,-2.5 4,-0.5 -7,-0.5 -1,-0.2 0.664 105.8 46.1 -57.4 -16.1 34.8 54.7 -45.6 116 116 A A H <> S+ 0 0 58 -3,-0.7 4,-1.5 -5,-0.2 -1,-0.2 0.848 112.5 44.6 -94.6 -44.9 36.2 56.4 -42.4 117 117 A V H X S+ 0 0 50 -4,-1.5 4,-2.6 2,-0.2 3,-0.5 0.959 119.0 45.1 -63.5 -47.1 36.3 60.0 -43.5 118 118 A Y H X S+ 0 0 29 -4,-3.1 4,-2.4 1,-0.3 5,-0.2 0.916 108.4 58.0 -60.5 -44.3 32.9 59.6 -45.1 119 119 A H H > S+ 0 0 122 -4,-0.5 4,-1.3 -5,-0.5 -1,-0.3 0.810 111.5 42.3 -56.3 -34.0 31.7 57.8 -42.0 120 120 A E H X S+ 0 0 86 -4,-1.5 4,-2.9 -3,-0.5 5,-0.3 0.928 109.9 52.2 -81.0 -48.8 32.6 60.8 -39.9 121 121 A E H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.893 113.3 49.4 -53.8 -36.4 31.3 63.6 -42.1 122 122 A M H X S+ 0 0 16 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.923 108.9 51.7 -66.7 -45.8 28.1 61.6 -42.1 123 123 A A H X S+ 0 0 37 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.913 110.9 46.8 -58.5 -46.3 28.2 61.4 -38.3 124 124 A K H X S+ 0 0 116 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.940 111.6 52.9 -61.7 -44.8 28.6 65.1 -37.9 125 125 A F H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.922 107.1 50.7 -55.3 -51.9 25.8 65.7 -40.4 126 126 A D H X S+ 0 0 19 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.852 111.4 50.1 -57.0 -34.8 23.4 63.5 -38.4 127 127 A D H X S+ 0 0 93 -4,-1.7 4,-1.0 -5,-0.2 5,-0.3 0.945 108.5 49.8 -70.5 -48.2 24.3 65.4 -35.3 128 128 A R H >X S+ 0 0 89 -4,-2.6 4,-3.4 1,-0.2 3,-0.8 0.896 110.8 50.4 -58.0 -41.0 23.7 68.8 -36.8 129 129 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.5 55.1 -64.2 -35.6 20.3 67.7 -38.1 130 130 A L H 3< S+ 0 0 58 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.666 126.4 15.6 -72.9 -16.9 19.5 66.4 -34.6 131 131 A H H << S+ 0 0 125 -4,-1.0 2,-0.9 -3,-0.8 -2,-0.2 0.572 107.2 76.5-132.5 -16.6 20.2 69.7 -32.9 132 132 A D X - 0 0 55 -4,-3.4 4,-3.5 -5,-0.3 5,-0.2 -0.805 54.6-169.2-105.0 94.6 20.3 72.6 -35.3 133 133 A D H > S+ 0 0 113 -2,-0.9 4,-2.4 1,-0.3 -1,-0.2 0.809 89.7 50.0 -50.1 -35.5 16.7 73.3 -36.3 134 134 A A H > S+ 0 0 70 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.928 113.6 44.0 -71.5 -43.8 17.9 75.6 -39.1 135 135 A F H >>S+ 0 0 9 -3,-0.2 4,-3.2 -7,-0.2 5,-0.8 0.912 114.8 51.4 -66.0 -39.7 20.2 72.9 -40.4 136 136 A A H X>S+ 0 0 2 -4,-3.5 4,-1.5 -8,-0.3 5,-0.7 0.926 108.3 49.7 -62.1 -48.1 17.5 70.3 -40.0 137 137 A A H <5S+ 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.718 120.0 39.0 -65.9 -19.4 14.9 72.4 -41.9 138 138 A K H <5S+ 0 0 144 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.873 132.6 15.5 -98.9 -48.1 17.4 72.9 -44.7 139 139 A Y H <5S+ 0 0 21 -4,-3.2 -3,-0.2 -5,-0.1 -49,-0.2 0.577 121.8 58.9-105.6 -13.9 19.3 69.6 -45.2 140 140 A G T < S- 0 0 7 -2,-1.2 4,-2.4 -78,-0.1 3,-0.5 -0.794 78.0 -83.2-134.5 179.1 9.2 61.5 -50.4 146 146 A Y H > S+ 0 0 16 -2,-0.3 4,-3.2 1,-0.2 5,-0.4 0.882 123.4 60.2 -56.2 -39.2 6.3 59.1 -49.6 147 147 A G H > S+ 0 0 0 -79,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.904 113.1 36.1 -56.1 -45.1 5.1 61.2 -46.6 148 148 A S H > S+ 0 0 12 -3,-0.5 4,-2.4 -5,-0.2 -1,-0.2 0.813 117.8 51.3 -79.7 -31.9 4.5 64.2 -48.8 149 149 A Q H < S+ 0 0 14 -4,-2.4 14,-0.3 2,-0.2 4,-0.3 0.930 115.4 41.9 -68.5 -44.9 3.2 62.3 -51.8 150 150 A W H < S+ 0 0 1 -4,-3.2 14,-2.0 -5,-0.2 13,-0.4 0.892 135.7 16.0 -67.1 -43.3 0.8 60.3 -49.8 151 151 A R H < S+ 0 0 51 -4,-1.6 -2,-0.2 -5,-0.4 -3,-0.2 0.430 130.4 38.6-118.2 3.9 -0.4 63.2 -47.7 152 152 A A < + 0 0 27 -4,-2.4 2,-0.5 10,-0.1 10,-0.2 -0.254 63.6 170.1-149.4 48.5 0.7 66.5 -49.4 153 153 A W E -G 161 0C 60 8,-2.4 8,-2.5 -4,-0.3 2,-0.3 -0.557 34.0-131.5 -65.9 114.0 0.3 66.0 -53.1 154 154 A H E -G 160 0C 113 -2,-0.5 6,-0.2 6,-0.2 2,-0.2 -0.532 20.1-149.6 -74.0 132.0 0.8 69.5 -54.5 155 155 A T > - 0 0 41 4,-2.6 3,-1.4 -2,-0.3 -1,-0.0 -0.564 28.1-110.5 -97.2 167.3 -1.8 70.7 -57.0 156 156 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.609 117.2 64.6 -69.0 -11.1 -1.4 73.1 -59.9 157 157 A K T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.054 120.5-105.9 -99.8 21.3 -3.5 75.5 -57.9 158 158 A G S < S+ 0 0 78 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.694 85.3 115.1 63.3 19.6 -0.9 75.8 -55.1 159 159 A D - 0 0 100 -6,-0.0 -4,-2.6 -4,-0.0 2,-0.4 -0.499 61.0-117.0-109.5-176.1 -2.9 73.6 -52.7 160 160 A T E -G 154 0C 58 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.975 11.8-150.5-131.7 139.1 -2.3 70.2 -51.2 161 161 A I E -G 153 0C 64 -8,-2.5 -8,-2.4 -2,-0.4 2,-1.4 -0.924 7.6-150.7-110.1 125.6 -4.2 66.9 -51.4 162 162 A D > + 0 0 46 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 -0.681 21.8 176.8 -94.6 79.8 -4.2 64.4 -48.6 163 163 A Q H > S+ 0 0 31 -2,-1.4 4,-2.2 -13,-0.4 -12,-0.2 0.913 75.7 42.8 -49.1 -52.8 -4.5 61.3 -50.7 164 164 A L H > S+ 0 0 0 -14,-2.0 4,-2.7 2,-0.2 5,-0.3 0.964 113.8 49.8 -62.0 -55.0 -4.3 58.8 -47.8 165 165 A G H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 113.4 47.1 -50.8 -46.1 -6.6 60.7 -45.4 166 166 A D H X S+ 0 0 74 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.884 110.9 50.8 -64.9 -42.5 -9.2 61.1 -48.1 167 167 A V H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.901 106.4 54.0 -64.9 -38.5 -9.1 57.4 -49.1 168 168 A I H X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.864 110.5 49.3 -63.7 -30.4 -9.5 56.2 -45.5 169 169 A E H X S+ 0 0 97 -4,-1.4 4,-1.8 -5,-0.3 5,-0.3 0.920 109.6 49.8 -71.7 -46.1 -12.6 58.4 -45.4 170 170 A Q H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 7,-0.2 0.780 107.2 56.6 -64.8 -26.3 -13.9 56.9 -48.7 171 171 A I H < S+ 0 0 4 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.910 108.7 45.9 -70.8 -40.6 -13.2 53.5 -47.2 172 172 A K H < S+ 0 0 114 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.797 125.7 29.8 -71.9 -31.1 -15.5 54.3 -44.3 173 173 A T H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.717 134.2 26.8-101.4 -26.0 -18.3 55.8 -46.4 174 174 A H >< + 0 0 104 -4,-2.4 3,-2.2 -5,-0.3 -2,-0.2 -0.327 65.5 167.6-137.8 63.1 -17.9 53.9 -49.7 175 175 A P T 3 S+ 0 0 45 0, 0.0 31,-0.6 0, 0.0 -1,-0.1 0.672 77.0 54.2 -46.4 -34.0 -16.3 50.5 -48.8 176 176 A Y T 3 S+ 0 0 165 29,-0.1 2,-0.3 3,-0.0 -5,-0.1 0.104 77.6 135.0 -95.4 23.9 -17.1 49.0 -52.2 177 177 A S X - 0 0 24 -3,-2.2 3,-0.6 -7,-0.2 29,-0.2 -0.569 45.2-158.2 -76.1 135.7 -15.4 51.8 -54.2 178 178 A R T 3 S+ 0 0 221 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.227 87.8 65.8 -94.0 11.3 -13.2 50.6 -57.0 179 179 A T T 3 + 0 0 110 -12,-0.0 2,-1.9 1,-0.0 -1,-0.2 -0.014 56.9 126.7-121.7 26.3 -11.3 54.0 -56.9 180 180 A L < + 0 0 2 -3,-0.6 24,-2.8 24,-0.3 2,-0.4 -0.516 41.9 143.7 -82.8 69.1 -9.7 53.6 -53.4 181 181 A I E -C 203 0A 60 -2,-1.9 2,-0.5 22,-0.2 22,-0.2 -0.930 39.6-164.3-118.8 137.2 -6.2 54.3 -54.8 182 182 A V E -C 202 0A 0 20,-2.4 20,-2.3 -2,-0.4 2,-0.3 -0.979 17.9-166.2-115.7 123.5 -3.1 56.2 -53.4 183 183 A S E -C 201 0A 29 -2,-0.5 18,-0.2 18,-0.2 17,-0.1 -0.882 22.4-176.6-113.4 146.1 -0.5 57.1 -56.1 184 184 A A + 0 0 1 16,-2.9 2,-0.8 -2,-0.3 17,-0.2 0.312 58.6 100.8-119.1 6.0 3.1 58.3 -55.5 185 185 A W + 0 0 84 15,-0.6 -1,-0.0 11,-0.1 15,-0.0 -0.816 43.0 174.5-101.7 104.0 3.9 58.8 -59.2 186 186 A N >> - 0 0 21 -2,-0.8 4,-2.4 1,-0.1 3,-1.8 -0.922 22.2-151.6-110.4 109.9 3.8 62.4 -60.4 187 187 A P T 34 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.728 93.2 55.7 -50.8 -30.3 5.0 62.9 -64.0 188 188 A E T 34 S+ 0 0 138 1,-0.1 4,-0.0 2,-0.1 -2,-0.0 0.693 116.4 35.1 -81.9 -13.7 6.2 66.4 -63.5 189 189 A D T X> S+ 0 0 43 -3,-1.8 3,-2.2 2,-0.1 4,-1.9 0.800 100.2 75.8-103.3 -38.7 8.5 65.5 -60.6 190 190 A V T 3< S+ 0 0 23 -4,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.793 90.1 55.9 -45.0 -43.4 9.7 62.1 -61.6 191 191 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.680 114.8 38.7 -71.0 -13.2 12.2 63.3 -64.3 192 192 A T T <4 S+ 0 0 113 -3,-2.2 -2,-0.2 -4,-0.0 -3,-0.1 0.714 91.9 110.0-103.0 -27.7 14.0 65.5 -61.8 193 193 A M < - 0 0 34 -4,-1.9 -3,-0.0 1,-0.1 -4,-0.0 -0.085 65.1-140.7 -51.8 143.5 13.9 63.2 -58.8 194 194 A A S S+ 0 0 78 1,-0.3 -1,-0.1 -109,-0.0 -4,-0.0 0.886 100.4 13.8 -71.2 -40.1 17.1 61.6 -57.5 195 195 A L S S- 0 0 76 -110,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.843 82.2-146.8-140.0 94.3 15.1 58.4 -56.9 196 196 A P - 0 0 30 0, 0.0 -11,-0.1 0, 0.0 4,-0.1 -0.359 48.6 -75.2 -58.7 146.2 11.6 58.3 -58.5 197 197 A P - 0 0 3 0, 0.0 3,-0.2 0, 0.0 21,-0.2 -0.153 37.5-164.2 -48.4 124.9 9.2 56.3 -56.2 198 198 A C S S+ 0 0 30 1,-0.2 2,-2.0 -3,-0.1 20,-1.7 0.912 87.3 60.9 -74.6 -45.4 9.7 52.5 -56.3 199 199 A H S S+ 0 0 23 18,-0.2 -1,-0.2 1,-0.2 18,-0.2 -0.565 74.5 178.7 -86.6 75.6 6.3 51.8 -54.7 200 200 A T - 0 0 19 -2,-2.0 -16,-2.9 16,-0.4 -15,-0.6 0.854 52.8 -23.5 -44.9 -58.7 4.4 53.5 -57.5 201 201 A L E -CD 183 216A 58 15,-1.3 15,-3.1 -18,-0.2 2,-0.3 -0.996 49.6-154.3-159.6 160.4 0.8 53.0 -56.3 202 202 A Y E -CD 182 215A 1 -20,-2.3 -20,-2.4 -2,-0.3 2,-0.4 -0.989 7.3-153.8-141.2 145.9 -1.4 50.9 -54.1 203 203 A Q E -CD 181 214A 60 11,-2.5 11,-2.8 -2,-0.3 -22,-0.2 -0.973 8.3-147.0-122.7 136.4 -5.2 50.1 -54.2 204 204 A F E - D 0 213A 0 -24,-2.8 -24,-0.3 -2,-0.4 2,-0.3 -0.587 15.1-172.7 -94.6 162.0 -7.5 49.1 -51.2 205 205 A Y E - D 0 212A 126 7,-1.7 7,-3.0 -2,-0.2 2,-0.4 -0.954 8.0-157.2-158.4 133.1 -10.4 46.7 -51.5 206 206 A V E + D 0 211A 5 -31,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.931 22.5 150.5-117.6 138.3 -13.2 45.7 -49.1 207 207 A N E > S+ D 0 210A 61 3,-2.1 3,-2.4 -2,-0.4 -2,-0.0 -0.873 70.4 3.1-164.3 133.7 -15.2 42.6 -49.2 208 208 A D T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.3 39,-0.1 0.885 126.8 -64.5 56.3 38.3 -16.9 40.6 -46.4 209 209 A G T 3 S+ 0 0 23 1,-0.2 38,-2.5 37,-0.1 2,-0.4 0.575 112.4 120.4 64.5 5.7 -15.7 43.2 -44.0 210 210 A K E < -De 207 247A 98 -3,-2.4 -3,-2.1 36,-0.2 2,-0.5 -0.836 55.0-143.9-101.6 144.3 -12.1 42.3 -44.8 211 211 A L E -De 206 248A 0 36,-2.1 38,-2.4 -2,-0.4 2,-0.2 -0.931 19.4-179.7-110.8 127.6 -9.7 44.9 -46.2 212 212 A S E -D 205 0A 19 -7,-3.0 -7,-1.7 -2,-0.5 2,-0.3 -0.729 9.9-153.9-116.2 168.4 -7.1 43.8 -48.7 213 213 A L E -De 204 251A 1 37,-2.3 39,-3.1 -2,-0.2 2,-0.4 -0.993 3.8-155.4-146.7 137.8 -4.4 45.9 -50.5 214 214 A Q E -De 203 252A 69 -11,-2.8 -11,-2.5 -2,-0.3 2,-0.5 -0.965 11.1-162.2-115.1 134.7 -2.6 45.6 -53.8 215 215 A L E -De 202 253A 0 37,-2.8 39,-3.0 -2,-0.4 2,-0.7 -0.955 7.0-155.5-119.8 122.4 0.8 47.2 -54.3 216 216 A Y E -De 201 254A 91 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.6 -0.872 13.4-172.2 -98.4 112.7 2.4 47.9 -57.7 217 217 A Q E - e 0 255A 4 37,-3.0 39,-2.5 -2,-0.7 -18,-0.2 -0.907 13.2-163.8-109.7 112.8 6.2 48.1 -57.4 218 218 A R E S+ 0 0 73 -20,-1.7 39,-1.9 -2,-0.6 2,-0.3 0.713 78.4 15.8 -65.2 -22.6 8.0 49.2 -60.5 219 219 A S E - e 0 257A 26 -21,-0.5 2,-0.4 37,-0.2 39,-0.2 -0.984 67.4-176.9-153.8 139.0 11.4 47.9 -59.3 220 220 A A E - e 0 258A 3 37,-2.0 39,-2.9 -2,-0.3 2,-0.9 -0.965 25.1-145.2-150.1 128.6 12.5 45.6 -56.5 221 221 A D E >> - e 0 259A 29 -2,-0.4 5,-2.6 1,-0.2 4,-0.6 -0.822 23.7-158.8 -84.2 107.5 15.7 44.3 -55.1 222 222 A I T 45S+ 0 0 0 37,-3.1 -1,-0.2 -2,-0.9 38,-0.2 0.883 82.4 37.6 -60.3 -45.9 14.7 40.8 -54.2 223 223 A F T 45S+ 0 0 0 36,-0.3 -1,-0.2 3,-0.1 37,-0.1 0.969 132.8 19.4 -74.4 -51.4 17.4 40.0 -51.6 224 224 A L T 45S+ 0 0 43 2,-0.1 4,-0.5 3,-0.1 -2,-0.1 0.955 129.5 33.9 -85.3 -52.7 17.7 43.3 -49.8 225 225 A G T >X5S+ 0 0 20 -4,-0.6 4,-2.1 1,-0.2 3,-1.1 0.940 103.9 63.6 -72.6 -51.9 14.5 45.4 -50.5 226 226 A V H 3> S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.878 112.8 43.2 -61.0 -34.9 11.7 41.7 -47.2 228 228 A F H <> S+ 0 0 64 -3,-1.1 4,-2.4 -4,-0.5 -2,-0.2 0.910 113.6 52.9 -71.6 -43.0 11.3 45.3 -45.9 229 229 A N H X S+ 0 0 18 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.834 105.2 52.9 -61.1 -41.0 8.6 46.0 -48.5 230 230 A I H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.969 113.2 43.2 -60.9 -52.6 6.4 43.1 -47.7 231 231 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.870 109.5 58.2 -60.7 -44.0 6.3 44.0 -44.0 232 232 A S H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.956 114.2 35.0 -52.5 -56.2 5.8 47.7 -44.7 233 233 A Y H X S+ 0 0 7 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.638 113.9 57.4 -78.0 -15.1 2.6 47.3 -46.7 234 234 A A H X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.825 109.3 48.6 -78.6 -31.9 1.4 44.4 -44.6 235 235 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 108.8 51.7 -69.7 -47.3 1.6 46.8 -41.7 236 236 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.908 106.3 54.7 -55.7 -46.7 -0.2 49.6 -43.5 237 237 A T H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.895 110.2 47.2 -56.9 -40.1 -3.1 47.1 -44.3 238 238 A H H X S+ 0 0 34 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.920 114.9 45.5 -67.7 -45.5 -3.4 46.3 -40.6 239 239 A L H >X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-1.2 0.985 112.9 46.9 -63.5 -57.5 -3.3 50.0 -39.6 240 240 A V H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.853 114.4 50.3 -55.1 -32.1 -5.8 51.3 -42.2 241 241 A A H 3<>S+ 0 0 3 -4,-1.5 5,-2.4 -5,-0.4 4,-0.4 0.768 106.9 55.3 -75.7 -26.6 -8.1 48.3 -41.2 242 242 A H H X<5S+ 0 0 34 -4,-1.3 3,-1.0 -3,-1.2 -2,-0.2 0.948 110.5 43.7 -69.0 -50.2 -7.7 49.2 -37.5 243 243 A E H 3<5S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 116.4 47.6 -61.9 -41.1 -8.9 52.8 -38.1 244 244 A C T 3<5S- 0 0 24 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.464 108.7-122.9 -81.0 -1.8 -11.7 51.6 -40.4 245 245 A G T < 5 + 0 0 54 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.2 0.820 65.8 135.3 65.4 30.6 -12.9 48.9 -38.0 246 246 A L < - 0 0 37 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.670 56.0-115.7-107.0 163.4 -12.4 46.1 -40.6 247 247 A E E - e 0 210A 129 -38,-2.5 -36,-2.1 -2,-0.2 2,-0.1 -0.690 44.2 -88.3 -96.7 153.9 -10.8 42.8 -40.3 248 248 A V E + e 0 211A 29 -2,-0.3 -36,-0.2 -38,-0.2 -1,-0.1 -0.327 46.1 171.4 -67.0 138.7 -7.7 41.9 -42.2 249 249 A G E - 0 0 5 -38,-2.4 -209,-1.2 1,-0.2 -208,-0.5 0.434 42.8 -40.7-109.6-110.3 -7.8 40.5 -45.7 250 250 A E E -B 39 0A 52 -211,-0.2 -37,-2.3 -210,-0.1 2,-0.6 -0.910 32.2-139.5-130.9 155.6 -4.8 40.0 -48.1 251 251 A F E -Be 38 213A 0 -213,-2.7 -213,-2.7 -2,-0.3 2,-0.6 -0.964 20.1-164.9-112.4 117.6 -1.7 41.8 -49.2 252 252 A I E -Be 37 214A 16 -39,-3.1 -37,-2.8 -2,-0.6 2,-0.7 -0.928 1.8-161.9-108.1 116.6 -1.1 41.4 -52.9 253 253 A H E -Be 36 215A 0 -217,-2.6 -217,-2.5 -2,-0.6 2,-0.4 -0.878 8.0-170.8-102.4 110.1 2.4 42.4 -54.0 254 254 A T E -Be 35 216A 20 -39,-3.0 -37,-3.0 -2,-0.7 2,-0.4 -0.848 6.6-156.4-102.8 137.0 2.7 43.1 -57.8 255 255 A F E -Be 34 217A 2 -221,-3.4 -221,-1.4 -2,-0.4 -222,-0.3 -0.867 22.6-179.0-117.9 145.2 6.0 43.5 -59.4 256 256 A G E S+ 0 0 1 -39,-2.5 -223,-2.3 -2,-0.4 2,-1.0 0.665 87.3 5.6 -95.6 -91.8 7.3 45.3 -62.5 257 257 A D E S-Be 32 219A 32 -39,-1.9 -37,-2.0 -225,-0.2 2,-0.6 -0.759 73.8-176.7 -97.8 97.5 11.0 44.6 -62.7 258 258 A A E +Be 31 220A 0 -227,-1.5 -227,-1.8 -2,-1.0 2,-0.3 -0.847 15.8 179.0 -96.1 118.5 12.0 42.2 -59.8 259 259 A H E -Be 30 221A 14 -39,-2.9 -37,-3.1 -2,-0.6 2,-0.5 -0.874 31.3-150.2-127.9 158.1 15.7 41.6 -59.7 260 260 A L E -B 29 0A 0 -231,-2.6 -231,-2.1 -2,-0.3 2,-0.3 -0.983 30.2-127.4-121.3 118.4 18.5 39.8 -57.9 261 261 A Y E > -B 28 0A 42 -2,-0.5 3,-2.9 -233,-0.2 -233,-0.3 -0.587 18.8-125.7 -67.9 131.4 21.8 41.6 -57.9 262 262 A V G > S+ 0 0 46 -235,-2.5 3,-1.1 -2,-0.3 -1,-0.1 0.761 108.6 63.2 -48.5 -27.7 24.5 39.2 -59.1 263 263 A N G 3 S+ 0 0 49 -236,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.503 97.5 56.3 -79.5 -3.3 26.5 39.9 -55.9 264 264 A H G <> S+ 0 0 0 -3,-2.9 4,-2.1 1,-0.1 5,-0.3 0.281 73.8 109.2-108.7 9.9 23.7 38.5 -53.7 265 265 A L H <> S+ 0 0 31 -3,-1.1 4,-1.7 -4,-0.2 -1,-0.1 0.855 80.9 40.2 -54.9 -44.5 23.7 35.0 -55.4 266 266 A D H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 111.7 55.8 -78.1 -31.7 25.2 33.0 -52.5 267 267 A Q H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 111.2 44.2 -67.1 -40.0 23.3 34.8 -49.7 268 268 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.932 111.6 52.5 -71.6 -41.4 20.0 34.0 -51.3 269 269 A K H X S+ 0 0 110 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.914 110.8 49.3 -58.7 -41.4 21.0 30.4 -52.1 270 270 A E H >< S+ 0 0 75 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.948 109.5 50.7 -61.7 -48.9 22.0 30.0 -48.4 271 271 A Q H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.867 103.7 60.2 -57.0 -38.7 18.7 31.5 -47.3 272 272 A L H 3< S+ 0 0 37 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 94.3 62.9 -63.0 -24.1 16.8 29.0 -49.5 273 273 A S T << S+ 0 0 89 -3,-1.4 2,-0.3 -4,-0.8 -1,-0.3 0.566 88.6 95.7 -76.3 -10.2 18.4 26.1 -47.6 274 274 A R S < S- 0 0 30 -3,-1.8 -225,-0.1 -4,-0.3 -224,-0.0 -0.648 74.4-134.6 -86.4 140.9 16.5 27.4 -44.6 275 275 A T - 0 0 102 -2,-0.3 -2,-0.1 -227,-0.1 -3,-0.0 -0.848 29.4-113.1 -96.3 119.6 13.1 26.0 -43.6 276 276 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.074 27.3-146.9 -50.1 144.8 10.5 28.6 -42.7 277 277 A R - 0 0 81 1,-0.1 -229,-0.1 28,-0.0 -228,-0.1 -0.625 40.6 -65.9-106.7 169.5 9.3 28.8 -39.1 278 278 A P - 0 0 94 0, 0.0 27,-0.4 0, 0.0 -1,-0.1 -0.303 62.0-107.0 -59.0 138.7 5.8 29.8 -38.0 279 279 A A - 0 0 30 -237,-0.2 -232,-0.1 1,-0.1 25,-0.0 -0.284 31.4-110.9 -67.5 148.9 5.0 33.5 -38.7 280 280 A P - 0 0 0 0, 0.0 -236,-2.5 0, 0.0 2,-0.4 -0.257 27.6-124.5 -74.1 166.0 4.8 36.2 -36.0 281 281 A T E -H 302 0D 71 21,-2.0 21,-2.9 -238,-0.2 2,-0.2 -0.936 15.2-140.2-116.4 137.3 1.6 37.8 -34.9 282 282 A L E -H 301 0D 18 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.650 13.1-166.3 -92.0 155.5 1.0 41.6 -34.9 283 283 A Q E -H 300 0D 88 17,-2.9 17,-2.3 -2,-0.2 2,-0.4 -0.912 3.9-160.3-147.4 108.6 -0.9 43.3 -32.1 284 284 A L E -H 299 0D 25 -2,-0.3 15,-0.2 15,-0.2 14,-0.1 -0.774 36.1 -94.9 -94.2 140.0 -2.2 46.9 -32.5 285 285 A N - 0 0 39 13,-2.4 3,-0.5 -2,-0.4 -1,-0.1 -0.285 32.4-155.9 -53.5 113.8 -3.1 49.0 -29.5 286 286 A P S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 12,-0.0 0.758 87.0 56.7 -64.1 -30.3 -6.9 48.6 -29.1 287 287 A D S S+ 0 0 147 2,-0.0 2,-0.4 1,-0.0 -2,-0.1 0.806 100.2 62.6 -75.9 -30.3 -7.5 51.9 -27.3 288 288 A K + 0 0 66 -3,-0.5 3,-0.1 1,-0.1 6,-0.0 -0.833 49.8 161.5-100.9 131.5 -6.0 54.1 -30.0 289 289 A H + 0 0 95 -2,-0.4 2,-1.5 1,-0.1 -1,-0.1 0.469 48.7 94.6-124.4 -8.7 -7.6 54.2 -33.5 290 290 A D > - 0 0 71 1,-0.2 3,-2.9 3,-0.1 -1,-0.1 -0.682 56.2-168.5 -87.9 86.8 -6.3 57.3 -35.1 291 291 A I G > S+ 0 0 0 -2,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.670 81.1 66.9 -51.5 -19.3 -3.5 55.7 -37.0 292 292 A F G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.759 103.9 45.1 -74.6 -21.3 -2.0 59.1 -37.9 293 293 A D G < S+ 0 0 105 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 -0.015 87.9 130.3-108.4 25.0 -1.3 59.6 -34.2 294 294 A F < - 0 0 3 -3,-1.1 2,-0.3 -5,-0.1 -3,-0.0 -0.464 39.6-158.2 -78.9 155.8 0.2 56.1 -33.6 295 295 A D >> - 0 0 56 -2,-0.1 3,-2.7 1,-0.0 4,-0.6 -0.889 35.0 -95.6-132.5 162.5 3.5 55.7 -31.9 296 296 A M G >4 S+ 0 0 41 -2,-0.3 3,-0.7 1,-0.3 -2,-0.0 0.776 123.7 54.0 -43.9 -40.0 6.2 53.0 -31.8 297 297 A K G 34 S+ 0 0 139 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.659 96.9 67.9 -73.0 -18.9 4.7 51.5 -28.6 298 298 A D G <4 S+ 0 0 9 -3,-2.7 -13,-2.4 1,-0.1 2,-0.6 0.721 92.4 63.7 -75.2 -22.8 1.3 51.2 -30.3 299 299 A I E << -H 284 0D 4 -3,-0.7 2,-0.4 -4,-0.6 -15,-0.2 -0.927 68.0-176.8-108.2 124.1 2.4 48.5 -32.7 300 300 A K E -H 283 0D 91 -17,-2.3 -17,-2.9 -2,-0.6 2,-0.4 -0.957 11.0-159.9-123.4 133.0 3.5 45.2 -31.2 301 301 A L E -H 282 0D 37 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.878 14.7-161.8-108.2 146.2 4.9 42.1 -32.9 302 302 A L E +H 281 0D 60 -21,-2.9 -21,-2.0 -2,-0.4 3,-0.1 -0.933 56.2 7.1-133.0 154.5 4.8 38.7 -31.3 303 303 A N + 0 0 135 -2,-0.3 2,-0.8 -23,-0.2 -1,-0.1 0.809 68.9 157.9 49.5 39.7 6.5 35.3 -31.6 304 304 A Y + 0 0 51 -3,-0.1 -1,-0.2 -24,-0.1 -25,-0.1 -0.853 4.8 163.6 -93.6 108.4 9.0 36.4 -34.2 305 305 A D + 0 0 113 -2,-0.8 -257,-0.1 -27,-0.4 -1,-0.0 -0.735 16.6 177.0-128.2 79.8 11.9 33.8 -33.9 306 306 A P - 0 0 24 0, 0.0 -257,-0.2 0, 0.0 -258,-0.1 -0.144 31.7-102.8 -78.5 174.2 14.0 34.2 -37.1 307 307 A Y - 0 0 52 -259,-1.9 -256,-0.8 1,-0.2 -257,-0.1 -0.258 63.1 -64.2 -83.3 176.7 17.1 32.5 -38.3 308 308 A P - 0 0 86 0, 0.0 -257,-0.3 0, 0.0 -1,-0.2 -0.239 63.0 -95.9 -63.2 158.6 20.4 34.5 -38.1 309 309 A A - 0 0 65 -259,-0.2 2,-0.4 -3,-0.1 -257,-0.1 -0.532 34.4-133.5 -76.9 141.6 20.7 37.6 -40.2 310 310 A I - 0 0 26 -259,-0.2 2,-0.5 -2,-0.2 -1,-0.0 -0.818 13.5-142.3 -97.5 135.6 22.4 37.3 -43.6 311 311 A K + 0 0 174 -2,-0.4 -44,-0.0 2,-0.0 0, 0.0 -0.860 27.7 165.7-100.5 130.7 25.0 39.8 -44.6 312 312 A A - 0 0 24 -2,-0.5 2,-0.6 -45,-0.0 -48,-0.1 -0.988 41.3 -99.5-143.2 151.5 25.1 41.0 -48.2 313 313 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 -50,-0.1 -0.581 35.1-126.9 -75.6 114.0 26.8 43.9 -50.2 314 314 A V - 0 0 95 -2,-0.6 2,-0.0 1,-0.1 -50,-0.0 -0.482 34.5-124.0 -63.3 102.4 24.3 46.7 -50.9 315 315 A A 0 0 18 -2,-0.8 -1,-0.1 -288,-0.0 -291,-0.0 -0.269 360.0 360.0 -53.1 133.1 24.8 47.0 -54.7 316 316 A V 0 0 71 -292,-0.1 -210,-0.0 -210,-0.0 -1,-0.0 -0.891 360.0 360.0-163.0 360.0 25.7 50.5 -56.0