==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-AUG-12 4GI6 . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1111 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 51 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 6 8 4 2 0 0 2 4 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 0 PARALLEL BRIDGES PER LADDER . 10 4 1 5 2 2 0 2 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 . 6 2 0 2 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 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 2 A P 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.0 41.7 29.3 130.7 2 3 A G - 0 0 78 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.148 360.0-103.6 -46.2 148.9 43.3 32.4 129.1 3 4 A A - 0 0 58 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.432 49.5 -82.3 -75.5 159.6 40.6 34.7 127.6 4 5 A P >> - 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.280 42.4-106.7 -65.0 156.9 40.3 34.5 123.8 5 6 A W H >> S+ 0 0 59 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.789 115.9 63.2 -52.7 -34.6 42.7 36.7 121.7 6 7 A W H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.723 93.6 60.9 -69.8 -19.9 40.0 39.2 120.8 7 8 A K H <4 S+ 0 0 43 -3,-2.0 351,-0.3 1,-0.2 -1,-0.2 0.785 113.9 35.9 -73.8 -25.6 39.5 40.2 124.5 8 9 A S H << S+ 0 0 61 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.442 99.5 105.5-105.5 -0.2 43.0 41.4 124.8 9 10 A A < - 0 0 2 -4,-0.7 2,-0.5 -3,-0.1 36,-0.1 -0.386 60.2-138.6 -82.3 158.1 43.5 42.8 121.2 10 11 A V - 0 0 0 34,-0.2 36,-2.3 349,-0.1 37,-1.4 -0.978 24.3-161.2-111.4 119.2 43.6 46.4 119.9 11 12 A F E -ab 47 361A 1 349,-2.6 351,-1.9 -2,-0.5 2,-0.4 -0.676 8.3-157.6 -94.5 158.1 41.7 46.8 116.6 12 13 A Y E -ab 48 362A 0 35,-1.8 37,-2.5 -2,-0.3 2,-0.6 -0.996 15.2-137.2-130.1 133.8 42.0 49.6 114.0 13 14 A Q E -ab 49 363A 1 349,-2.6 351,-1.8 -2,-0.4 2,-0.5 -0.838 16.5-161.3 -93.5 126.2 39.2 50.4 111.6 14 15 A V E -a 50 0A 0 35,-3.2 37,-2.1 -2,-0.6 3,-0.1 -0.922 13.6-162.1-110.9 129.1 40.2 51.1 108.0 15 16 A Y > - 0 0 4 -2,-0.5 3,-2.9 35,-0.2 4,-0.5 -0.860 15.2-162.4-103.9 89.6 37.8 52.9 105.6 16 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.805 83.1 63.2 -53.6 -40.0 39.6 51.7 102.4 17 18 A R G 34 S+ 0 0 22 1,-0.2 11,-2.6 10,-0.1 419,-0.2 0.748 116.9 28.3 -47.9 -31.1 38.0 54.4 100.3 18 19 A S G <4 S+ 0 0 0 -3,-2.9 402,-2.8 9,-0.2 -1,-0.2 0.194 106.1 76.7-125.2 16.2 39.8 57.2 102.4 19 20 A F T <4 S- 0 0 0 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.1 0.946 103.9 -16.8 -95.5 -65.8 42.9 55.5 103.6 20 21 A K < - 0 0 35 -4,-0.7 9,-2.3 9,-0.2 12,-0.4 -0.882 50.6-156.8-152.3 121.5 45.5 55.3 100.7 21 22 A D + 0 0 6 409,-2.1 7,-0.2 -2,-0.3 -4,-0.0 -0.708 10.8 177.1 -89.8 138.0 45.3 55.7 96.9 22 23 A T S S+ 0 0 56 5,-0.3 -1,-0.1 -2,-0.3 6,-0.1 0.378 76.2 43.7-120.2 -0.1 48.0 54.0 94.7 23 24 A N S S- 0 0 108 4,-0.3 408,-0.1 0, 0.0 -1,-0.1 0.123 103.8-110.3-133.3 24.9 46.8 54.8 91.2 24 25 A G S S+ 0 0 27 1,-0.1 410,-0.4 409,-0.1 407,-0.1 0.673 80.8 119.1 59.7 24.9 45.7 58.5 91.2 25 26 A D S S- 0 0 70 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.461 83.5-114.9 -97.4 -0.1 41.9 58.0 90.9 26 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.4 0.524 83.8 105.9 83.9 7.1 41.3 59.7 94.3 27 28 A I S S- 0 0 23 408,-0.2 -5,-0.3 409,-0.1 -2,-0.3 -0.963 72.8-117.5-121.4 131.3 39.9 56.6 95.9 28 29 A G - 0 0 0 -11,-2.6 -7,-0.3 -2,-0.4 2,-0.3 -0.215 38.1-170.6 -60.5 159.4 41.8 54.5 98.5 29 30 A D > - 0 0 8 -9,-2.3 4,-2.2 1,-0.1 -9,-0.2 -0.910 38.1 -96.5-146.0 174.8 42.5 50.9 97.4 30 31 A F H > S+ 0 0 0 45,-2.0 4,-3.1 -2,-0.3 5,-0.2 0.875 120.8 55.0 -60.6 -43.9 43.8 47.5 98.7 31 32 A K H > S+ 0 0 50 44,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.876 108.2 50.8 -63.1 -35.2 47.3 48.1 97.4 32 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.945 112.2 45.7 -64.9 -46.7 47.3 51.4 99.4 33 34 A L H >< S+ 0 0 1 -4,-2.2 3,-1.3 -13,-0.3 -2,-0.2 0.956 112.3 51.5 -57.9 -49.4 46.2 49.5 102.6 34 35 A T H >< S+ 0 0 25 -4,-3.1 3,-1.2 1,-0.3 4,-0.3 0.849 106.3 54.6 -58.0 -37.9 48.8 46.7 102.0 35 36 A E H 3< S+ 0 0 121 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.707 107.8 51.3 -69.9 -19.5 51.6 49.2 101.6 36 37 A K T S+ 0 0 0 -3,-1.2 4,-3.0 1,-0.2 5,-0.2 0.875 77.9 57.8 -69.4 -32.2 50.7 47.6 107.1 38 39 A D H > S+ 0 0 106 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.840 104.0 54.4 -62.8 -31.1 54.1 48.4 108.6 39 40 A Y H > S+ 0 0 25 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.939 112.7 41.2 -66.2 -46.2 52.6 51.7 109.8 40 41 A L H X>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.8 0.903 114.8 51.4 -69.0 -41.2 49.8 49.9 111.6 41 42 A K H ><5S+ 0 0 103 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.957 109.7 50.7 -54.3 -52.2 52.1 47.1 113.0 42 43 A G H 3<5S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.0 56.0 -62.0 -27.9 54.5 49.8 114.3 43 44 A L H 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.735 122.4-110.4 -72.5 -21.8 51.6 51.5 116.1 44 45 A G T <<5 + 0 0 20 -3,-1.3 2,-0.2 -4,-0.8 -34,-0.2 0.591 57.7 163.3 102.2 13.4 50.9 48.1 117.8 45 46 A I < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.470 21.4-171.5 -73.0 131.8 47.6 47.1 116.1 46 47 A D + 0 0 49 -36,-2.3 48,-1.9 1,-0.2 2,-0.3 0.764 68.2 12.3 -87.6 -32.0 46.6 43.5 116.4 47 48 A A E -ac 11 94A 0 -37,-1.4 -35,-1.8 46,-0.2 2,-0.4 -0.997 62.0-143.1-152.8 147.9 43.7 43.4 114.0 48 49 A I E -ac 12 95A 1 46,-2.4 48,-3.6 -2,-0.3 2,-0.5 -0.944 2.5-156.9-119.1 136.7 42.0 45.4 111.4 49 50 A W E -ac 13 96A 1 -37,-2.5 -35,-3.2 -2,-0.4 2,-0.4 -0.966 17.7-161.9-104.5 122.2 38.4 45.9 110.6 50 51 A I E -ac 14 97A 0 46,-2.6 48,-0.7 -2,-0.5 -35,-0.2 -0.885 18.2-121.0-104.5 138.7 37.8 47.0 107.0 51 52 A N - 0 0 2 -37,-2.1 47,-0.1 -2,-0.4 11,-0.1 -0.203 65.2 -46.7 -69.0 170.2 34.6 48.5 105.8 52 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 -0.047 53.7 178.9 -54.1 135.9 32.8 46.7 103.0 53 54 A H + 0 0 0 45,-0.2 19,-2.8 -3,-0.2 2,-0.2 0.080 41.3 112.2-124.7 20.9 35.1 45.7 100.1 54 55 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.506 81.5 -67.5 -97.6 160.7 32.6 43.9 97.8 55 56 A A E +H 67 0B 20 15,-2.0 11,-2.0 12,-0.8 12,-1.2 -0.236 69.7 159.2 -46.0 128.7 31.2 44.7 94.3 56 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.2 -0.966 54.7-137.9-159.9 134.6 29.0 47.8 94.7 57 58 A P - 0 0 62 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.517 50.6-131.8 -69.7 -3.9 27.5 50.6 92.7 58 59 A N > + 0 0 25 6,-0.6 3,-1.0 1,-0.1 7,-0.1 0.769 61.4 142.3 59.9 30.1 28.6 52.8 95.7 59 60 A T T 3 S+ 0 0 40 1,-0.3 325,-0.2 5,-0.2 -1,-0.1 0.784 94.7 23.0 -64.3 -20.9 25.3 54.6 96.3 60 61 A D T > S- 0 0 8 4,-0.1 3,-1.8 106,-0.1 -1,-0.3 -0.198 123.3 -98.5-137.6 39.9 26.3 54.1 99.9 61 62 A N T < S- 0 0 8 -3,-1.0 -44,-0.1 1,-0.3 -2,-0.0 0.831 93.4 -28.9 46.7 55.9 30.1 53.7 99.5 62 63 A G T 3 S+ 0 0 0 2,-0.2 -8,-0.3 -11,-0.1 -1,-0.3 0.140 117.4 97.1 98.5 -20.4 30.2 49.8 99.7 63 64 A Y S < S+ 0 0 5 -3,-1.8 2,-0.6 1,-0.2 -2,-0.1 0.451 73.4 70.1 -86.4 0.6 27.1 49.2 101.8 64 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 41,-0.0 2,-0.5 -0.874 78.5-166.8-110.6 97.7 25.1 48.5 98.7 65 66 A I + 0 0 0 -2,-0.6 40,-3.1 38,-0.2 -9,-0.3 -0.736 23.8 177.9 -98.5 127.6 26.5 45.2 97.5 66 67 A S S S+ 0 0 29 -11,-2.0 43,-0.6 -2,-0.5 2,-0.2 0.459 80.8 20.9-106.1 -9.0 25.7 43.8 94.1 67 68 A D E > -H 55 0B 57 -12,-1.2 3,-1.2 3,-0.2 -12,-0.8 -0.718 58.9-164.4-157.5 113.0 27.9 40.7 94.3 68 69 A Y E 3 S+ 0 0 5 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 0.642 90.7 53.6 -66.7 -16.5 28.9 39.2 97.7 69 70 A R E 3 S+ 0 0 98 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.191 99.3 69.6-107.7 14.6 31.6 37.0 96.1 70 71 A E E < S- 0 0 105 -3,-1.2 -15,-2.0 -15,-0.1 2,-0.2 -0.950 78.2-117.8-131.0 157.6 33.6 39.7 94.2 71 72 A V E -H 54 0B 13 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.2 -0.519 42.5 -88.7 -92.1 152.1 35.8 42.5 95.3 72 73 A M >> - 0 0 0 -19,-2.8 4,-1.4 -2,-0.2 3,-0.9 -0.447 31.2-132.9 -64.9 132.4 34.9 46.2 94.7 73 74 A K T 34 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.872 104.3 55.1 -49.2 -47.9 36.4 47.4 91.3 74 75 A E T 34 S+ 0 0 70 1,-0.2 -1,-0.3 -45,-0.0 -47,-0.1 0.787 108.7 48.2 -58.3 -33.9 37.8 50.6 92.9 75 76 A Y T <4 S- 0 0 6 -3,-0.9 -45,-2.0 1,-0.3 -44,-0.5 0.758 115.8-102.1 -83.9 -25.4 39.8 48.6 95.5 76 77 A G < - 0 0 22 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 -0.957 45.4 -50.1 138.5-157.9 41.4 46.0 93.3 77 78 A T > - 0 0 79 -2,-0.3 4,-1.9 -3,-0.1 5,-0.1 -0.515 54.8 -94.5-111.0 177.2 41.0 42.4 92.3 78 79 A M H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.872 126.5 59.9 -56.6 -38.0 40.6 39.2 94.3 79 80 A E H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 103.9 49.6 -56.2 -47.9 44.4 38.8 93.9 80 81 A D H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 110.2 50.1 -57.1 -43.9 44.8 42.1 95.8 81 82 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.925 112.6 48.1 -59.9 -42.2 42.4 40.9 98.6 82 83 A D H X S+ 0 0 68 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 111.1 49.3 -66.9 -39.1 44.5 37.7 98.8 83 84 A R H X S+ 0 0 72 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.883 108.1 54.4 -66.5 -42.0 47.8 39.6 98.9 84 85 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.958 110.7 46.7 -53.8 -48.3 46.3 41.8 101.7 85 86 A M H X S+ 0 0 30 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 111.1 50.7 -62.1 -43.7 45.5 38.7 103.7 86 87 A A H X S+ 0 0 50 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.842 110.6 49.4 -67.3 -32.2 49.0 37.2 103.1 87 88 A E H X S+ 0 0 34 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.868 109.7 50.4 -78.2 -34.4 50.7 40.4 104.2 88 89 A L H ><>S+ 0 0 4 -4,-2.3 5,-2.7 -5,-0.2 3,-0.8 0.945 110.1 51.0 -58.9 -49.1 48.7 40.6 107.4 89 90 A K H ><5S+ 0 0 173 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.881 103.7 57.8 -60.8 -40.5 49.5 37.0 108.2 90 91 A K H 3<5S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.833 110.6 44.3 -51.9 -37.4 53.2 37.7 107.7 91 92 A R T <<5S- 0 0 53 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.338 117.5-114.1 -94.2 4.2 53.0 40.4 110.4 92 93 A G T < 5S+ 0 0 57 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.723 72.1 138.6 72.7 23.3 50.9 38.1 112.7 93 94 A M < - 0 0 9 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.634 43.7-135.1-102.8 155.2 47.9 40.5 112.2 94 95 A R E -c 47 0A 94 -48,-1.9 -46,-2.4 -2,-0.2 2,-0.5 -0.771 6.7-135.0-112.5 159.6 44.2 39.6 111.7 95 96 A L E -c 48 0A 6 -2,-0.3 99,-1.4 97,-0.2 100,-1.2 -0.954 11.5-171.4-115.3 127.0 41.4 40.7 109.4 96 97 A M E -cd 49 195A 0 -48,-3.6 -46,-2.6 -2,-0.5 2,-0.2 -0.975 15.1-160.3-108.5 123.5 37.9 41.5 110.3 97 98 A V E -cd 50 196A 0 98,-2.2 100,-2.3 -2,-0.5 2,-0.3 -0.668 20.9-110.2 -97.6 161.4 35.6 42.2 107.3 98 99 A D E - d 0 197A 0 -48,-0.7 2,-0.5 -2,-0.2 -45,-0.2 -0.681 25.1-152.9 -90.0 137.6 32.2 44.0 107.3 99 100 A V E - d 0 198A 3 98,-3.1 100,-2.3 -2,-0.3 2,-0.7 -0.955 10.2-173.8-118.8 118.4 29.1 41.8 106.7 100 101 A V + 0 0 1 -2,-0.5 -35,-0.2 98,-0.2 98,-0.1 -0.768 31.1 134.7-116.9 84.3 26.1 43.6 105.1 101 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.153 48.4 84.6-125.5 19.0 23.2 41.3 105.0 102 103 A N S S- 0 0 0 1,-0.3 68,-2.3 97,-0.1 2,-0.3 0.790 113.0 -5.8 -74.5 -28.7 20.3 43.4 106.2 103 104 A H B -I 169 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.2 -0.961 65.1-146.4-157.3 159.7 20.0 44.5 102.6 104 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.699 40.5 -77.3-118.2-179.2 21.7 44.2 99.2 105 106 A S > - 0 0 0 -40,-3.1 3,-0.9 -2,-0.2 6,-0.3 -0.405 34.1-125.2 -64.0 152.5 22.1 46.6 96.2 106 107 A D T 3 S+ 0 0 29 60,-1.5 -1,-0.1 1,-0.2 61,-0.1 0.532 114.1 63.7 -73.1 -3.8 19.1 46.9 93.9 107 108 A Q T 3 S+ 0 0 85 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.419 74.3 114.7 -97.1 -0.7 21.7 45.9 91.3 108 109 A H S X> S- 0 0 13 -3,-0.9 4,-2.4 -43,-0.2 3,-0.6 -0.443 77.8-121.4 -65.6 143.5 22.3 42.4 92.8 109 110 A E H 3> S+ 0 0 119 -43,-0.6 4,-2.3 1,-0.3 5,-0.2 0.834 112.0 60.3 -61.4 -28.8 21.1 39.6 90.5 110 111 A W H 3> S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.919 108.4 42.8 -62.3 -45.3 18.7 38.4 93.2 111 112 A F H <> S+ 0 0 2 -3,-0.6 4,-2.2 -6,-0.3 -2,-0.2 0.895 109.3 55.7 -68.0 -40.2 17.0 41.7 93.2 112 113 A K H < S+ 0 0 100 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.923 116.7 39.0 -60.5 -41.4 16.9 42.0 89.4 113 114 A S H >X S+ 0 0 39 -4,-2.3 3,-2.2 -5,-0.2 4,-0.5 0.932 110.9 58.4 -64.4 -51.9 15.2 38.6 89.3 114 115 A S H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.3 6,-0.2 0.856 103.8 53.4 -47.1 -42.5 13.0 39.3 92.4 115 116 A R T 3< S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.591 89.6 80.7 -67.9 -17.9 11.4 42.4 90.7 116 117 A A T <4 S- 0 0 42 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.826 105.6 -23.8 -72.4 -34.1 10.4 40.5 87.6 117 118 A S X< - 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0 0 2 -2,-0.3 3,-1.3 4,-0.2 92,-0.1 -0.874 57.6 -78.6-156.4-173.0 33.7 55.2 113.3 325 326 A H T 3 S+ 0 0 0 1,-0.3 91,-0.2 -2,-0.3 92,-0.1 0.451 124.6 54.7 -80.2 -2.1 32.8 56.0 109.6 326 327 A D T 3 S+ 0 0 19 2,-0.1 -1,-0.3 90,-0.1 87,-0.2 0.235 105.0 58.4-111.1 8.7 29.3 56.9 110.6 327 328 A N S < S- 0 0 1 -3,-1.3 89,-0.2 86,-0.3 -3,-0.1 -0.913 87.2 -87.9-139.5 163.0 30.1 59.6 113.2 328 329 A P - 0 0 4 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 -0.250 64.8 -75.5 -65.9 161.0 31.9 62.9 113.8 329 330 A R >> - 0 0 2 1,-0.1 4,-2.8 -6,-0.1 3,-0.5 -0.348 39.8-124.5 -60.9 132.6 35.6 62.8 114.7 330 331 A A H 3>>S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 5,-0.9 0.854 107.1 49.1 -44.2 -53.5 36.3 61.8 118.4 331 332 A V H 3>5S+ 0 0 4 39,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.892 115.9 43.2 -61.6 -36.8 38.3 64.9 119.3 332 333 A S H <45S+ 0 0 23 -3,-0.5 -2,-0.2 38,-0.3 -1,-0.2 0.887 121.7 41.3 -72.7 -35.3 35.7 67.3 117.9 333 334 A H H <5S+ 0 0 31 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.968 133.5 13.8 -79.9 -52.3 32.9 65.3 119.4 334 335 A F H <5S+ 0 0 15 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.622 127.8 33.5-104.1 -16.0 34.2 64.4 122.9 335 336 A G S <> S- 0 0 122 1,-0.1 4,-1.7 3,-0.1 3,-1.6 -0.344 77.9-105.9 -59.4 150.4 40.4 74.2 119.2 339 340 A P T 34 S+ 0 0 114 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.818 118.3 49.3 -56.8 -35.9 44.1 74.7 118.3 340 341 A Q T 34 S+ 0 0 126 1,-0.2 4,-0.2 2,-0.1 -3,-0.1 0.686 124.1 30.0 -76.4 -15.4 45.3 75.2 121.9 341 342 A W T <> S+ 0 0 61 -3,-1.6 4,-2.9 2,-0.1 -5,-0.4 0.479 89.6 94.1-120.6 -5.2 43.5 72.1 123.2 342 343 A R H X S+ 0 0 20 -4,-1.7 4,-2.9 1,-0.2 -6,-0.2 0.953 93.8 39.5 -57.7 -55.3 43.3 69.6 120.2 343 344 A E H > S+ 0 0 75 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.894 116.1 49.8 -64.8 -45.4 46.5 67.7 121.2 344 345 A A H > S+ 0 0 17 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.941 117.0 41.0 -59.3 -48.1 45.9 67.7 125.0 345 346 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 -9,-0.3 -2,-0.2 0.882 109.8 57.6 -73.9 -34.2 42.3 66.5 124.6 346 347 A A H X S+ 0 0 4 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.945 108.9 48.1 -58.0 -44.7 43.1 63.9 121.8 347 348 A K H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 108.9 52.4 -57.7 -46.9 45.6 62.4 124.3 348 349 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.898 110.1 49.1 -55.2 -44.1 43.0 62.3 127.2 349 350 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.845 107.7 54.6 -67.0 -34.0 40.5 60.5 124.9 350 351 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.946 106.5 51.4 -61.4 -49.6 43.2 58.0 123.9 351 352 A T H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.904 113.2 45.5 -53.2 -46.8 43.8 57.2 127.6 352 353 A V H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.953 113.8 48.6 -57.4 -53.3 40.1 56.6 128.0 353 354 A T H >< S+ 0 0 4 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.897 113.4 46.0 -55.4 -46.2 39.8 54.5 124.8 354 355 A L T 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.388 111.9 50.6 -86.5 4.1 42.8 52.3 125.7 355 356 A T T < S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.166 81.3 112.5-124.8 14.3 41.8 51.6 129.4 356 357 A Q S < S- 0 0 7 -3,-0.8 2,-0.8 -4,-0.3 -36,-0.1 -0.562 77.1-107.5 -87.2 153.9 38.1 50.5 129.0 357 358 A R S S+ 0 0 40 -2,-0.2 2,-0.2 120,-0.1 -39,-0.2 -0.729 91.3 53.6 -78.1 109.3 36.9 47.0 129.8 358 359 A G S S- 0 0 0 -2,-0.8 -39,-0.3 118,-0.7 -38,-0.1 -0.848 102.2 -58.5 145.7 170.2 36.3 45.8 126.3 359 360 A T E -p 319 0I 0 -41,-2.4 -39,-2.3 -2,-0.2 2,-0.2 -0.785 56.1-136.1 -90.5 114.8 38.0 45.5 122.9 360 361 A P E -p 320 0I 0 0, 0.0 -349,-2.6 0, 0.0 2,-0.5 -0.529 14.8-162.7 -76.7 142.3 39.1 48.9 121.7 361 362 A F E -b 11 0A 4 -41,-2.7 2,-0.6 -2,-0.2 -39,-0.5 -0.995 4.7-158.8-118.1 123.4 38.6 50.1 118.1 362 363 A I E -b 12 0A 4 -351,-1.9 -349,-2.6 -2,-0.5 2,-0.4 -0.907 16.1-135.1-104.6 122.2 40.7 53.0 117.0 363 364 A F E > -b 13 0A 3 -2,-0.6 3,-2.7 -351,-0.2 4,-0.3 -0.665 37.9 -90.2 -81.3 126.9 39.2 54.8 114.0 364 365 A Q T 3 S+ 0 0 0 -351,-1.8 -1,-0.1 -2,-0.4 -350,-0.0 -0.029 112.2 17.8 -38.8 119.6 41.8 55.7 111.3 365 366 A G T > >S+ 0 0 0 55,-0.1 5,-2.1 -3,-0.1 3,-1.4 0.111 93.3 99.9 100.8 -16.4 43.3 59.1 111.9 366 367 A D G X 5S+ 0 0 11 -3,-2.7 3,-1.4 1,-0.2 -2,-0.1 0.853 75.3 65.7 -67.1 -26.7 42.3 59.4 115.5 367 368 A E G 3 5S+ 0 0 0 -4,-0.3 95,-0.3 1,-0.3 -1,-0.2 0.631 106.5 43.7 -65.8 -11.5 45.9 58.4 116.4 368 369 A L G < 5S- 0 0 0 -3,-1.4 -1,-0.3 90,-0.1 -2,-0.2 0.456 117.1-114.2-102.7 -6.7 46.8 61.7 114.7 369 370 A G T < 5 - 0 0 2 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.827 46.9-176.6 63.5 34.8 44.1 63.8 116.4 370 371 A M < - 0 0 1 -5,-2.1 -39,-0.5 1,-0.1 -38,-0.3 -0.286 10.5-150.3 -53.0 146.7 42.3 64.5 113.0 371 372 A T - 0 0 11 1,-0.2 -41,-0.1 -40,-0.1 69,-0.1 -0.552 23.7 -70.6-118.4 177.2 39.3 66.7 113.5 372 373 A N - 0 0 24 -43,-0.2 -1,-0.2 -2,-0.2 38,-0.1 -0.276 58.9-104.7 -62.3 162.0 35.9 67.4 111.9 373 374 A Y - 0 0 24 36,-0.2 2,-2.2 67,-0.1 -1,-0.1 -0.698 20.9-118.6 -98.4 141.5 36.0 69.1 108.5 374 375 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.383 37.0-166.1 -78.2 71.2 35.2 72.8 107.9 375 376 A F + 0 0 19 -2,-2.2 3,-0.1 34,-0.2 34,-0.1 -0.328 13.9 180.0 -58.2 134.4 32.2 72.4 105.5 376 377 A K + 0 0 91 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.736 62.8 11.7-107.7 -31.3 31.2 75.6 103.8 377 378 A T S > S- 0 0 64 28,-0.1 3,-1.6 1,-0.0 -1,-0.2 -0.918 77.4-105.0-139.1 169.6 28.2 74.6 101.6 378 379 A L G > S+ 0 0 31 -2,-0.3 3,-1.4 1,-0.3 -1,-0.0 0.794 116.2 68.6 -67.2 -24.0 25.9 71.7 101.2 379 380 A Q G 3 S+ 0 0 166 1,-0.3 -1,-0.3 3,-0.0 -4,-0.0 0.542 83.8 72.4 -68.8 -11.7 27.8 70.8 98.1 380 381 A D G < S+ 0 0 29 -3,-1.6 2,-0.4 57,-0.0 -1,-0.3 0.476 84.0 84.3 -78.8 -9.3 30.8 69.9 100.2 381 382 A F < - 0 0 16 -3,-1.4 56,-0.0 1,-0.1 0, 0.0 -0.834 48.3-178.5 -97.9 137.1 29.1 66.7 101.5 382 383 A D + 0 0 55 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.719 47.1 122.2 -89.1 -32.2 29.1 63.4 99.6 383 384 A D >> - 0 0 1 1,-0.1 4,-1.4 3,-0.1 3,-1.0 -0.008 56.2-151.0 -53.7 127.6 26.9 61.7 102.2 384 385 A I H 3> S+ 0 0 34 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.791 97.3 61.8 -61.4 -30.9 23.7 60.2 101.0 385 386 A E H 3> S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.800 100.5 54.0 -67.1 -29.2 22.1 60.7 104.5 386 387 A V H <> S+ 0 0 8 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.916 105.7 51.8 -73.2 -40.9 22.7 64.5 104.1 387 388 A K H X S+ 0 0 124 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.929 109.3 52.6 -55.4 -44.5 20.7 64.4 100.8 388 389 A G H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -242,-0.3 0.901 107.9 48.3 -55.4 -46.7 18.0 62.6 102.8 389 390 A F H X>S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 5,-0.8 0.881 110.4 53.9 -62.5 -37.3 17.9 65.4 105.4 390 391 A F H X>S+ 0 0 71 -4,-2.5 5,-2.3 3,-0.2 4,-1.3 0.941 112.8 42.9 -61.6 -46.7 17.7 67.8 102.5 391 392 A Q H <5S+ 0 0 60 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.910 120.2 40.7 -63.1 -45.8 14.7 65.9 101.1 392 393 A D H <5S+ 0 0 44 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.757 132.3 17.5 -81.1 -21.7 12.9 65.5 104.5 393 394 A Y H <>S+ 0 0 53 -4,-2.3 6,-2.2 -5,-0.2 5,-0.7 0.723 125.1 41.0-124.1 -34.6 13.6 68.9 106.0 394 395 A V T >< - 0 0 74 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.417 34.1-111.0 -82.6 164.4 16.4 76.3 105.7 401 402 A A H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.863 122.0 52.3 -60.6 -34.3 19.4 75.0 103.7 402 403 A E H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 105.5 51.2 -70.9 -42.0 21.5 77.1 106.1 403 404 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.924 112.8 49.0 -59.8 -42.4 20.0 75.6 109.3 404 405 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.954 111.7 47.7 -59.8 -54.2 20.8 72.2 107.8 405 406 A L H X S+ 0 0 30 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.923 111.6 50.2 -49.3 -51.9 24.4 73.1 106.9 406 407 A T H < S+ 0 0 86 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.850 119.3 35.1 -61.0 -40.2 25.1 74.6 110.4 407 408 A N H >X S+ 0 0 41 -4,-1.7 3,-1.4 -5,-0.2 4,-0.6 0.929 116.9 49.7 -85.0 -45.8 23.8 71.7 112.3 408 409 A V H >X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 3,-0.9 0.786 96.0 73.0 -68.1 -25.1 24.8 68.8 110.1 409 410 A A H 3< S+ 0 0 23 -4,-2.0 -1,-0.3 -5,-0.4 -36,-0.2 0.870 102.7 44.3 -52.3 -32.7 28.4 70.2 109.9 410 411 A L H <4 S+ 0 0 94 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.675 125.2 29.0 -84.2 -19.6 28.7 69.0 113.4 411 412 A T H << S+ 0 0 3 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.635 83.1 122.3-120.0 -22.4 27.1 65.5 113.0 412 413 A S >< - 0 0 2 -4,-3.0 3,-1.8 1,-0.1 4,-0.3 -0.139 61.8-131.5 -59.1 138.9 27.6 64.3 109.5 413 414 A R G > S+ 0 0 15 1,-0.3 3,-1.5 -87,-0.2 4,-0.3 0.714 101.8 75.7 -50.2 -29.5 29.4 61.0 108.7 414 415 A D G >> S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.758 78.6 72.9 -65.4 -20.5 31.5 62.8 106.1 415 416 A N G <4 S+ 0 0 0 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.861 102.4 42.6 -55.9 -35.6 33.5 64.3 109.1 416 417 A A G <4 S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.477 108.5 61.1 -83.5 -10.0 35.0 60.8 109.5 417 418 A R T <4 + 0 0 2 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.429 66.4 117.5-108.2 -2.4 35.6 60.1 105.7 418 419 A T S < S- 0 0 2 -4,-0.6 21,-0.2 -3,-0.3 20,-0.1 -0.364 82.7 -77.5 -65.3 148.0 38.0 62.9 104.6 419 420 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.155 50.8-100.7 -56.7 141.5 41.3 61.3 103.4 420 421 A F - 0 0 0 -402,-2.8 2,-1.1 -3,-0.1 -55,-0.1 -0.366 36.0-123.1 -57.4 138.8 43.8 60.1 105.9 421 422 A Q + 0 0 1 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.710 40.0 165.1-100.5 94.0 46.6 62.7 106.4 422 423 A W - 0 0 16 6,-1.6 27,-2.4 -2,-1.1 2,-0.2 0.871 62.7 -33.2 -76.8 -41.9 49.9 60.9 105.6 423 424 A D - 0 0 50 5,-1.4 7,-0.1 25,-0.2 -1,-0.1 -0.843 68.8 -83.2-161.0-168.7 52.2 63.9 105.2 424 425 A D S S+ 0 0 108 -2,-0.2 3,-0.1 4,-0.1 20,-0.1 0.099 85.6 109.6-104.8 24.7 52.2 67.6 104.0 425 426 A S S > S- 0 0 58 1,-0.2 3,-1.9 2,-0.1 5,-0.2 -0.214 89.3 -44.0 -79.6-175.7 52.7 66.9 100.4 426 427 A A G > S- 0 0 69 1,-0.3 3,-1.7 2,-0.2 5,-0.4 -0.250 133.3 -0.1 -55.3 129.8 49.9 67.5 97.9 427 428 A N G > S- 0 0 46 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.838 126.6 -72.6 58.6 32.0 46.5 66.2 99.2 428 429 A A G < S- 0 0 0 -3,-1.9 -6,-1.6 1,-0.3 -5,-1.4 0.723 82.3 -68.4 58.0 27.4 48.4 65.1 102.4 429 430 A G G < S+ 0 0 14 -3,-1.7 -1,-0.3 2,-0.3 -2,-0.2 0.525 111.3 117.4 71.7 2.4 50.1 62.2 100.5 430 431 A F S < S- 0 0 0 -3,-2.1 -409,-2.1 1,-0.2 2,-0.3 0.907 83.0 -8.1 -65.1 -42.2 46.7 60.5 100.2 431 432 A T - 0 0 9 -5,-0.4 -2,-0.3 -4,-0.4 -1,-0.2 -0.973 45.7-139.1-153.1 158.2 46.6 60.6 96.3 432 433 A T S S+ 0 0 135 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.480 94.8 50.9 -95.7 -8.5 48.4 62.0 93.3 433 434 A G S S- 0 0 24 -6,-0.1 -2,-0.2 1,-0.1 -408,-0.2 0.006 113.0 -55.2-103.6-147.6 45.0 62.8 91.7 434 435 A K - 0 0 123 -410,-0.4 -2,-0.1 -2,-0.1 -1,-0.1 -0.865 58.6-122.3-100.2 116.9 41.9 64.6 92.9 435 436 A P - 0 0 17 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.250 12.2-128.0 -60.3 145.6 40.6 63.1 96.2 436 437 A W S S+ 0 0 45 -410,-2.5 2,-0.3 -419,-0.2 -409,-0.1 0.805 101.6 24.8 -63.2 -27.8 37.0 61.8 96.1 437 438 A L S S- 0 0 12 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.997 104.8 -94.6-136.8 134.8 36.3 64.0 99.2 438 439 A K - 0 0 98 -2,-0.3 2,-0.2 -58,-0.2 -2,-0.1 -0.174 34.9-119.5 -58.3 140.9 38.4 67.1 100.1 439 440 A V - 0 0 17 -21,-0.2 -1,-0.1 1,-0.1 -19,-0.1 -0.525 34.8-104.1 -73.0 139.6 41.4 66.8 102.4 440 441 A N > - 0 0 5 -21,-0.3 3,-2.1 -2,-0.2 4,-0.1 -0.493 24.4-132.0 -63.6 130.1 41.1 68.9 105.6 441 442 A P G > S+ 0 0 79 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.662 100.9 75.9 -62.5 -12.0 43.4 72.0 105.2 442 443 A N G >> + 0 0 38 1,-0.2 4,-2.4 2,-0.1 3,-2.1 0.507 63.8 98.4 -78.3 -1.3 44.7 71.3 108.7 443 444 A Y G <4 S+ 0 0 53 -3,-2.1 -1,-0.2 1,-0.3 -3,-0.0 0.758 70.7 68.6 -51.7 -25.3 46.8 68.4 107.2 444 445 A T G <4 S+ 0 0 82 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.798 114.4 26.3 -67.4 -27.1 49.7 70.8 107.1 445 446 A E T <4 S+ 0 0 80 -3,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.618 125.3 52.0-103.3 -22.8 49.7 70.7 111.0 446 447 A I S < S+ 0 0 3 -4,-2.4 2,-0.3 -23,-0.1 -1,-0.2 -0.910 73.2 120.4-124.2 103.5 48.2 67.2 111.4 447 448 A N > - 0 0 4 -2,-0.6 4,-1.9 -3,-0.1 -25,-0.3 -0.976 64.0-112.9-162.3 153.4 49.8 64.4 109.4 448 449 A A H > S+ 0 0 1 -27,-2.2 4,-2.8 -2,-0.3 5,-0.3 0.857 109.3 57.1 -61.9 -42.1 51.5 61.0 110.1 449 450 A A H > S+ 0 0 60 -27,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.952 112.0 42.6 -58.6 -50.4 55.1 61.9 109.0 450 451 A R H 4 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.901 116.9 49.0 -58.3 -41.1 55.2 64.8 111.4 451 452 A E H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 9,-0.4 0.861 106.5 53.9 -69.1 -37.5 53.6 62.7 114.2 452 453 A I H 3< S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.3 50.0 -71.1 -32.6 55.8 59.7 113.9 453 454 A G T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.516 98.7 80.3 -85.3 -3.2 59.1 61.6 114.3 454 455 A D X - 0 0 40 -3,-0.8 3,-1.7 -4,-0.4 6,-0.4 -0.896 59.7-162.4-114.9 115.6 57.9 63.4 117.4 455 456 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.648 94.0 52.9 -71.1 -13.9 58.0 61.6 120.8 456 457 A K T 3 S+ 0 0 167 4,-0.1 -5,-0.1 5,-0.0 5,-0.0 0.434 89.7 114.8 -91.6 -2.4 55.6 64.2 122.3 457 458 A S S <> S- 0 0 1 -3,-1.7 4,-2.0 -6,-0.3 5,-0.1 -0.106 79.8-113.6 -68.4 164.0 52.9 63.7 119.5 458 459 A V H > S+ 0 0 0 2,-0.2 4,-2.8 -90,-0.2 5,-0.2 0.923 119.1 54.2 -54.5 -48.1 49.4 62.3 119.7 459 460 A Y H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.939 108.5 48.9 -51.5 -47.5 50.6 59.3 117.6 460 461 A S H > S+ 0 0 5 -6,-0.4 4,-2.6 -9,-0.4 -1,-0.2 0.866 109.6 51.1 -68.4 -36.3 53.4 58.6 120.0 461 462 A F H X S+ 0 0 15 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.939 110.3 48.9 -65.8 -48.2 51.1 58.8 123.0 462 463 A Y H X S+ 0 0 11 -4,-2.8 4,-2.5 -95,-0.3 -2,-0.2 0.935 111.2 51.3 -52.2 -46.6 48.7 56.3 121.3 463 464 A R H X S+ 0 0 99 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.924 111.7 46.4 -60.2 -44.5 51.7 54.0 120.6 464 465 A N H X S+ 0 0 56 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.915 111.9 50.3 -63.9 -44.4 52.8 54.1 124.2 465 466 A L H X S+ 0 0 3 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.903 109.6 51.3 -59.9 -42.9 49.3 53.5 125.6 466 467 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.951 110.4 48.8 -59.3 -45.7 48.8 50.5 123.3 467 468 A S H X S+ 0 0 49 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.901 111.8 49.5 -61.3 -42.7 52.1 49.0 124.5 468 469 A I H X S+ 0 0 24 -4,-2.4 4,-0.6 2,-0.2 3,-0.3 0.913 110.8 49.3 -62.4 -45.4 51.1 49.6 128.1 469 470 A R H >< S+ 0 0 6 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.946 108.3 54.0 -56.0 -48.9 47.7 47.9 127.5 470 471 A H H 3< S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.5 44.4 -56.1 -28.3 49.5 44.9 125.9 471 472 A E H 3< S+ 0 0 137 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.473 106.0 61.4 -96.2 -6.5 51.7 44.6 129.0 472 473 A T X< - 0 0 14 -3,-1.5 3,-1.3 -4,-0.6 4,-0.5 -0.915 60.3-166.1-133.0 98.2 49.1 45.0 131.7 473 474 A P T >>>S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 3,-1.3 0.822 85.8 63.6 -58.7 -38.9 46.3 42.3 131.8 474 475 A A H 3>5S+ 0 0 4 1,-0.2 4,-0.9 3,-0.2 22,-0.2 0.801 94.0 64.2 -53.2 -32.0 44.0 44.3 134.2 475 476 A L H <45S+ 0 0 0 -3,-1.3 -1,-0.2 -6,-0.2 -6,-0.1 0.756 115.1 27.4 -71.3 -22.8 43.7 47.0 131.5 476 477 A S H <45S+ 0 0 7 -3,-1.3 -118,-0.7 -4,-0.5 -2,-0.2 0.861 138.7 15.2 -95.7 -61.0 41.9 44.7 129.1 477 478 A T H <5S+ 0 0 43 -4,-1.7 -3,-0.2 -120,-0.1 -2,-0.1 0.486 95.4 108.8 -96.7 -4.3 40.1 42.0 131.1 478 479 A G S < - 0 0 66 8,-0.7 3,-2.1 3,-0.1 -1,-0.2 -0.491 60.1-175.1-157.8 81.5 32.3 58.8 141.2 485 486 A P T 3 S+ 0 0 47 0, 0.0 -182,-0.3 0, 0.0 -183,-0.1 0.652 85.0 55.0 -56.4 -17.4 29.6 58.6 138.5 486 487 A S T 3 S+ 0 0 87 -184,-0.1 2,-0.3 -183,-0.1 -187,-0.2 0.578 78.6 106.5 -95.4 -2.8 28.1 62.1 139.4 487 488 A N < - 0 0 46 -3,-2.1 -185,-0.2 1,-0.1 -3,-0.1 -0.553 47.1-171.1 -77.8 129.8 31.3 64.1 139.0 488 489 A A S S+ 0 0 36 -2,-0.3 -190,-0.6 -190,-0.1 -1,-0.1 0.235 75.1 47.7-109.9 15.7 31.2 66.2 135.9 489 490 A D S S+ 0 0 51 1,-0.3 19,-2.6 -191,-0.1 2,-0.5 0.742 109.1 36.3-115.8 -44.0 34.8 67.4 135.8 490 491 A V E - R 0 507J 3 17,-0.2 2,-0.6 18,-0.1 -1,-0.3 -0.978 65.7-150.0-126.9 119.5 37.2 64.6 136.4 491 492 A Y E + R 0 506J 0 15,-3.1 15,-3.5 -2,-0.5 2,-0.4 -0.808 27.1 168.7 -93.5 123.3 36.7 61.1 135.1 492 493 A A E + R 0 505J 1 -2,-0.6 -9,-2.2 13,-0.2 -8,-0.7 -0.994 4.1 151.1-143.0 135.9 38.2 58.5 137.4 493 494 A Y E -QR 482 504J 0 11,-2.0 11,-3.3 -2,-0.4 2,-0.3 -0.982 31.0-122.9-155.5 158.8 37.9 54.7 137.6 494 495 A T E -QR 481 503J 18 -13,-2.5 -13,-1.5 -2,-0.3 2,-0.4 -0.816 8.4-158.2-106.7 149.6 39.8 51.5 138.6 495 496 A R E -QR 480 502J 0 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -0.996 21.9-174.3-121.7 128.6 40.7 48.4 136.7 496 497 A S E +QR 479 501J 36 -17,-1.2 -17,-2.0 -2,-0.4 2,-0.3 -0.954 14.9 159.4-134.6 132.2 41.4 45.4 138.8 497 498 A Q E > - R 0 500J 48 3,-2.6 3,-2.8 -2,-0.4 -23,-0.2 -0.971 68.5 -12.2-151.8 138.3 42.7 41.8 138.2 498 499 A D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.856 128.9 -47.7 44.1 48.6 44.2 39.1 140.4 499 500 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.283 114.4 116.8 81.4 -13.5 44.9 41.5 143.3 500 501 A E E < -R 497 0J 92 -3,-2.8 -3,-2.6 56,-0.0 2,-0.4 -0.742 45.0-166.8 -89.5 138.0 46.4 44.2 141.0 501 502 A T E -RS 496 555J 31 54,-0.5 54,-2.8 -2,-0.4 2,-0.3 -0.986 8.4-171.7-133.3 131.5 44.7 47.6 140.8 502 503 A Y E -RS 495 554J 23 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.4 -0.882 11.0-150.3-117.2 148.3 45.2 50.5 138.3 503 504 A L E -RS 494 553J 0 50,-2.9 50,-2.6 -2,-0.3 2,-0.5 -0.969 5.3-161.0-120.6 129.9 43.6 53.9 138.6 504 505 A V E -RS 493 552J 0 -11,-3.3 -11,-2.0 -2,-0.4 2,-0.4 -0.958 8.9-174.8-111.9 135.7 42.8 56.0 135.6 505 506 A V E +RS 492 551J 0 46,-2.3 46,-1.5 -2,-0.5 2,-0.5 -0.986 3.3 178.8-134.6 123.2 42.3 59.8 136.0 506 507 A V E -RS 491 550J 0 -15,-3.5 -15,-3.1 -2,-0.4 2,-0.6 -0.947 20.1-146.6-133.0 114.0 41.2 62.1 133.3 507 508 A N E -R 490 0J 0 42,-3.5 -17,-0.2 -2,-0.5 -159,-0.1 -0.665 11.7-174.9 -76.3 116.4 40.5 65.8 133.5 508 509 A F + 0 0 28 -19,-2.6 2,-0.4 -2,-0.6 -18,-0.1 0.343 58.7 87.6 -92.8 6.3 37.7 66.8 131.1 509 510 A K S S- 0 0 71 -20,-0.4 39,-2.2 2,-0.2 2,-1.0 -0.851 76.2-135.8-107.4 141.4 38.1 70.5 131.8 510 511 A A S S+ 0 0 32 -2,-0.4 -1,-0.0 37,-0.3 -2,-0.0 -0.213 88.7 77.8 -79.5 47.4 40.4 73.0 130.1 511 512 A E S S- 0 0 107 -2,-1.0 37,-0.3 35,-0.2 -2,-0.2 -0.985 95.6 -88.2-153.3 149.9 41.1 74.2 133.7 512 513 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 34,-0.2 -0.310 51.1-179.5 -65.7 148.6 43.2 73.0 136.6 513 514 A R E -U 545 0K 67 32,-1.6 32,-3.0 -4,-0.1 2,-0.3 -0.966 21.6-128.5-145.1 158.1 41.4 70.5 138.8 514 515 A S E -U 544 0K 90 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.818 14.5-164.7-108.0 150.6 42.0 68.4 142.0 515 516 A F E -U 543 0K 17 28,-2.5 28,-3.1 -2,-0.3 2,-0.5 -0.975 3.6-160.9-134.6 127.0 41.4 64.8 142.5 516 517 A T E -U 542 0K 104 -2,-0.4 26,-0.2 26,-0.2 3,-0.1 -0.909 21.2-131.0-104.5 123.5 41.3 63.1 145.8 517 518 A L - 0 0 7 24,-1.9 3,-0.1 -2,-0.5 24,-0.1 -0.212 37.4 -90.2 -65.0 158.7 41.9 59.3 145.8 518 519 A P > - 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.390 59.3 -75.3 -71.1 160.8 39.3 57.2 147.7 519 520 A D T 3 S+ 0 0 171 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.305 119.4 17.7 -58.8 125.1 40.1 56.5 151.4 520 521 A G T 3 S+ 0 0 64 1,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.316 100.3 111.1 97.3 -7.1 42.7 53.8 151.9 521 522 A M < + 0 0 35 -3,-2.0 2,-0.3 20,-0.1 -1,-0.3 -0.873 39.4 173.6-106.8 131.5 44.1 54.1 148.3 522 523 A H - 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0 0 76 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.548 32.8-111.3 -84.5 162.8 -8.6 67.2 69.9 958 402 B A H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.856 121.1 54.2 -59.6 -33.0 -11.6 66.0 71.9 959 403 B E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 106.3 50.0 -71.3 -37.9 -13.7 68.1 69.6 960 404 B E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.953 111.8 49.8 -65.2 -44.6 -12.3 66.5 66.4 961 405 B L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.971 113.2 46.1 -53.5 -55.9 -13.0 63.0 68.0 962 406 B L H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.919 111.5 51.3 -50.9 -53.9 -16.6 64.0 68.8 963 407 B T H < S+ 0 0 86 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.836 119.9 32.8 -57.7 -39.8 -17.3 65.5 65.4 964 408 B N H >X S+ 0 0 39 -4,-2.1 3,-1.5 -3,-0.3 4,-0.8 0.918 116.6 52.1 -88.8 -43.6 -16.1 62.5 63.4 965 409 B V H 3X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.4 3,-0.3 0.762 95.8 71.2 -68.6 -22.9 -17.1 59.7 65.7 966 410 B A H 3< S+ 0 0 22 -4,-2.2 -1,-0.3 -5,-0.4 -36,-0.2 0.857 102.7 45.7 -53.7 -32.5 -20.6 61.1 65.9 967 411 B L H <4 S+ 0 0 89 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.772 125.0 28.1 -82.0 -26.8 -20.9 59.9 62.3 968 412 B T H < S+ 0 0 4 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.1 0.563 83.8 124.4-112.3 -15.6 -19.4 56.4 62.7 969 413 B S >< - 0 0 2 -4,-2.6 3,-1.5 -5,-0.1 4,-0.3 -0.177 60.4-132.6 -64.3 142.2 -19.9 55.2 66.3 970 414 B R G > S+ 0 0 14 1,-0.2 3,-1.8 -87,-0.2 4,-0.3 0.752 101.9 75.0 -53.0 -30.2 -21.7 51.9 67.1 971 415 B D G >> S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.800 78.8 72.2 -63.4 -23.7 -23.8 53.8 69.6 972 416 B N G <4 S+ 0 0 0 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.829 103.8 41.5 -52.7 -31.1 -25.8 55.2 66.7 973 417 B A G <4 S+ 0 0 1 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.464 107.7 62.8 -94.7 -2.0 -27.3 51.7 66.3 974 418 B R T <4 + 0 0 2 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.348 67.3 116.4-114.3 0.8 -27.8 51.0 70.0 975 419 B T S < S- 0 0 1 -4,-0.5 21,-0.1 -3,-0.3 20,-0.1 -0.431 82.3 -78.6 -68.5 149.4 -30.3 53.7 71.1 976 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.231 48.9-101.7 -59.9 135.9 -33.6 52.2 72.3 977 421 B F - 0 0 0 -402,-2.5 2,-1.0 1,-0.1 10,-0.1 -0.260 36.3-123.8 -50.4 138.1 -36.1 50.9 69.7 978 422 B Q + 0 0 1 1,-0.2 27,-2.3 -3,-0.1 8,-0.1 -0.782 39.0 167.5-103.1 93.9 -38.8 53.5 69.4 979 423 B W - 0 0 13 6,-1.8 27,-2.7 -2,-1.0 2,-0.2 0.879 63.0 -30.6 -73.0 -44.3 -42.1 51.7 70.2 980 424 B D - 0 0 52 5,-1.7 -1,-0.2 25,-0.2 7,-0.1 -0.879 69.3 -83.0-161.8-173.8 -44.4 54.7 70.5 981 425 B D S S+ 0 0 109 -2,-0.2 3,-0.1 4,-0.1 4,-0.1 0.236 86.1 106.7 -98.3 20.5 -44.5 58.4 71.6 982 426 B S S > S- 0 0 57 1,-0.2 3,-1.8 2,-0.1 4,-0.2 -0.201 90.6 -42.2 -79.4 178.6 -44.9 57.8 75.4 983 427 B A G > S- 0 0 72 1,-0.3 3,-1.6 2,-0.2 5,-0.4 -0.166 133.3 -0.4 -46.3 128.7 -42.0 58.4 77.9 984 428 B N G > S- 0 0 51 1,-0.3 3,-2.5 2,-0.2 4,-0.5 0.856 125.0 -71.3 51.1 41.3 -38.8 57.0 76.4 985 429 B A G < S- 0 0 0 -3,-1.8 -6,-1.8 1,-0.3 -5,-1.7 0.685 83.7 -70.7 57.2 22.5 -40.5 55.9 73.3 986 430 B G G < S+ 0 0 12 -3,-1.6 -1,-0.3 2,-0.3 -2,-0.2 0.527 110.5 116.4 73.1 7.5 -42.2 53.1 75.2 987 431 B F S < S- 0 0 0 -3,-2.5 -409,-1.9 1,-0.2 2,-0.3 0.899 82.5 -1.7 -73.3 -38.9 -38.9 51.2 75.6 988 432 B T - 0 0 9 -4,-0.5 -2,-0.3 -5,-0.4 -1,-0.2 -0.970 43.9-145.0-151.4 156.2 -38.9 51.5 79.4 989 433 B T S S+ 0 0 137 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.529 95.2 49.2 -95.0 -13.7 -40.7 52.9 82.5 990 434 B G S S- 0 0 27 1,-0.1 -408,-0.2 -6,-0.1 -2,-0.2 0.121 114.2 -53.2 -98.5-146.2 -37.4 53.6 84.2 991 435 B K - 0 0 130 -410,-0.5 -2,-0.1 -2,-0.0 -1,-0.1 -0.906 57.1-121.2-105.5 120.2 -34.3 55.4 82.9 992 436 B P - 0 0 22 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.254 12.2-130.4 -65.7 143.2 -32.8 54.0 79.5 993 437 B W S S+ 0 0 43 -410,-2.4 2,-0.4 -419,-0.2 -409,-0.1 0.765 99.8 22.9 -70.2 -24.4 -29.3 52.7 79.6 994 438 B L S S- 0 0 13 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.990 107.0 -91.4-138.2 139.7 -28.5 54.9 76.5 995 439 B K - 0 0 95 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.201 36.2-119.0 -61.1 138.5 -30.6 57.9 75.7 996 440 B V - 0 0 13 -21,-0.1 -1,-0.1 1,-0.1 -19,-0.1 -0.482 35.5-103.8 -69.1 139.1 -33.6 57.7 73.4 997 441 B N > - 0 0 7 -21,-0.3 3,-2.1 -2,-0.2 -1,-0.1 -0.516 22.6-133.5 -64.5 127.8 -33.4 59.8 70.2 998 442 B P G > S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.769 100.2 76.0 -55.4 -24.7 -35.6 62.9 70.5 999 443 B N G >> + 0 0 39 1,-0.3 4,-2.2 2,-0.1 3,-1.9 0.486 64.8 99.3 -69.0 4.6 -37.0 62.1 67.0 1000 444 B Y G <4 + 0 0 55 -3,-2.1 -1,-0.3 1,-0.3 -3,-0.0 0.676 70.0 67.4 -62.4 -19.0 -39.1 59.3 68.6 1001 445 B T G <4 S+ 0 0 88 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.741 115.8 26.4 -74.3 -20.8 -42.0 61.7 68.6 1002 446 B E T <4 S+ 0 0 56 -3,-1.9 2,-0.6 1,-0.2 -2,-0.2 0.573 123.6 53.7-110.4 -20.5 -42.0 61.5 64.8 1003 447 B I S < S+ 0 0 3 -4,-2.2 2,-0.3 -23,-0.1 -1,-0.2 -0.884 73.2 124.2-124.1 102.4 -40.4 58.0 64.4 1004 448 B N > - 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