==== 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 4GI8 . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1109 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 724 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 9.8 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 . 5 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 . 54 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 21.9 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 7 6 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 1 5 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 3 1 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 . 5 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A G 0 0 135 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 -35.2 22.7 46.6 2 4 A A - 0 0 58 1,-0.1 5,-0.1 2,-0.1 474,-0.0 -0.712 360.0 -93.8 -92.2 147.8 -33.0 25.5 48.2 3 5 A P >> - 0 0 53 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.235 37.0-109.5 -60.8 154.5 -32.5 25.4 51.9 4 6 A W H >> S+ 0 0 50 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.842 115.2 61.8 -51.5 -37.3 -35.0 27.4 54.0 5 7 A W H 34 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.732 92.9 63.7 -71.9 -19.5 -32.3 30.0 54.9 6 8 A K H <4 S+ 0 0 45 -3,-1.8 -1,-0.3 1,-0.2 351,-0.3 0.767 114.4 31.8 -72.1 -22.0 -31.7 31.0 51.3 7 9 A S H << S+ 0 0 55 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.367 99.3 108.3-117.5 8.2 -35.3 32.3 51.0 8 10 A A < - 0 0 3 -4,-0.7 2,-0.5 -3,-0.1 36,-0.1 -0.419 60.2-139.4 -80.9 155.7 -35.8 33.5 54.6 9 11 A V - 0 0 0 34,-0.2 36,-2.4 349,-0.1 37,-1.3 -0.985 24.3-159.9-112.4 119.5 -35.9 37.1 55.8 10 12 A F E -ab 46 360A 1 349,-2.5 351,-2.2 -2,-0.5 2,-0.4 -0.669 8.4-155.1 -98.2 157.3 -34.1 37.6 59.1 11 13 A Y E -ab 47 361A 0 35,-1.9 37,-2.3 -2,-0.3 2,-0.6 -0.994 13.7-138.3-129.7 133.2 -34.4 40.3 61.7 12 14 A Q E -ab 48 362A 2 349,-2.8 351,-2.0 -2,-0.4 2,-0.5 -0.840 15.9-164.6 -97.5 123.8 -31.6 41.3 64.0 13 15 A V E -a 49 0A 0 35,-2.9 37,-2.1 -2,-0.6 3,-0.1 -0.927 12.8-162.2-108.6 125.6 -32.5 42.0 67.7 14 16 A Y > - 0 0 3 -2,-0.5 3,-2.3 35,-0.2 4,-0.4 -0.860 17.4-160.2 -99.5 94.0 -30.1 43.7 70.0 15 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.802 81.6 64.3 -58.3 -36.6 -31.9 42.6 73.1 16 18 A R G 34 S+ 0 0 22 1,-0.3 11,-3.0 2,-0.1 419,-0.2 0.765 116.7 30.7 -47.0 -33.9 -30.4 45.3 75.4 17 19 A S G <4 S+ 0 0 0 -3,-2.3 402,-2.7 9,-0.2 -1,-0.3 0.251 103.8 77.1-117.1 12.7 -32.2 47.9 73.3 18 20 A F T <4 S- 0 0 2 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.1 0.955 105.1 -18.5 -91.9 -67.8 -35.3 46.2 72.1 19 21 A K < - 0 0 35 -4,-0.7 9,-2.3 9,-0.2 12,-0.4 -0.888 51.6-156.7-151.1 121.9 -37.9 46.1 74.9 20 22 A D + 0 0 4 409,-2.1 7,-0.2 7,-0.3 -4,-0.0 -0.772 11.1 177.5 -91.3 136.9 -37.6 46.5 78.7 21 23 A T S S+ 0 0 48 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.214 73.5 47.8-122.8 10.2 -40.3 44.9 80.9 22 24 A N S S- 0 0 105 4,-0.3 408,-0.1 0, 0.0 -1,-0.1 0.207 102.9-109.5-139.0 19.2 -39.0 45.6 84.4 23 25 A G S S+ 0 0 25 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.482 83.0 117.2 71.8 5.7 -38.0 49.3 84.6 24 26 A D S S- 0 0 69 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.512 84.0-116.5 -87.0 1.0 -34.3 48.8 84.8 25 27 A G S S+ 0 0 0 1,-0.2 410,-2.6 409,-0.1 2,-0.4 0.509 83.8 105.1 81.3 5.1 -33.7 50.6 81.4 26 28 A I S S- 0 0 23 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.973 72.6-119.6-118.9 131.8 -32.3 47.5 79.8 27 29 A G - 0 0 0 -11,-3.0 -7,-0.3 -2,-0.4 2,-0.3 -0.216 37.6-173.6 -64.6 158.3 -34.2 45.3 77.2 28 30 A D > - 0 0 9 -9,-2.3 4,-1.7 1,-0.1 -9,-0.2 -0.865 39.2 -91.3-148.4 176.4 -34.8 41.7 78.2 29 31 A F H > S+ 0 0 0 45,-2.5 4,-3.0 -2,-0.3 5,-0.2 0.893 120.6 54.8 -64.2 -43.3 -36.1 38.3 77.0 30 32 A K H > S+ 0 0 70 44,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.910 107.5 53.2 -59.4 -37.9 -39.7 38.9 78.3 31 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.897 110.8 44.2 -60.7 -45.7 -39.7 42.1 76.2 32 34 A L H >< S+ 0 0 2 -4,-1.7 3,-1.0 -13,-0.2 -2,-0.2 0.923 111.9 53.3 -64.2 -45.6 -38.7 40.3 73.1 33 35 A T H >< S+ 0 0 23 -4,-3.0 3,-1.4 1,-0.3 4,-0.3 0.915 106.7 53.2 -56.9 -41.1 -41.2 37.5 73.7 34 36 A E H 3< S+ 0 0 116 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.710 109.2 50.5 -67.6 -17.3 -44.0 40.0 74.1 35 37 A K T S+ 0 0 0 -3,-1.4 4,-3.2 1,-0.2 5,-0.2 0.843 78.5 56.3 -62.7 -35.4 -43.0 38.4 68.7 37 39 A D H > S+ 0 0 104 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.854 103.4 55.1 -62.3 -36.2 -46.4 39.1 67.1 38 40 A Y H > S+ 0 0 26 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.939 113.4 41.4 -59.1 -48.6 -45.0 42.5 65.9 39 41 A L H X>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-1.3 0.914 113.2 52.5 -68.2 -42.7 -42.2 40.6 64.1 40 42 A K H ><5S+ 0 0 100 -4,-3.2 3,-0.5 1,-0.2 -2,-0.2 0.932 110.2 49.5 -57.1 -44.8 -44.4 37.8 62.8 41 43 A G H 3<5S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.3 57.8 -67.3 -29.1 -46.8 40.5 61.3 42 44 A L H 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.841 122.6-110.4 -66.2 -28.7 -43.9 42.3 59.7 43 45 A G T <<5 + 0 0 22 -4,-1.3 -34,-0.2 -3,-0.5 -3,-0.2 0.536 57.6 164.0 109.1 14.6 -43.2 38.9 57.9 44 46 A I < - 0 0 2 -5,-2.1 -1,-0.2 1,-0.1 -34,-0.2 -0.399 21.5-172.0 -71.0 132.4 -40.0 37.9 59.7 45 47 A D + 0 0 47 -36,-2.4 48,-1.7 1,-0.3 2,-0.3 0.735 69.4 10.7 -89.2 -29.6 -39.0 34.2 59.3 46 48 A A E -ac 10 93A 0 -37,-1.3 -35,-1.9 46,-0.2 2,-0.4 -0.993 61.5-143.9-157.1 145.4 -36.1 34.2 61.8 47 49 A I E -ac 11 94A 0 46,-2.4 48,-3.2 -2,-0.3 2,-0.6 -0.936 4.6-156.2-116.6 132.7 -34.5 36.3 64.4 48 50 A W E -ac 12 95A 1 -37,-2.3 -35,-2.9 -2,-0.4 2,-0.4 -0.951 17.8-159.5-102.7 122.2 -30.7 36.6 65.2 49 51 A I E -ac 13 96A 0 46,-2.3 48,-0.6 -2,-0.6 -35,-0.2 -0.863 17.0-121.0-101.0 134.4 -30.2 37.8 68.8 50 52 A N - 0 0 3 -37,-2.1 47,-0.2 -2,-0.4 11,-0.1 -0.155 66.2 -46.4 -61.4 169.3 -27.0 39.4 69.9 51 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 -0.128 53.6 179.7 -56.8 140.0 -25.2 37.5 72.7 52 54 A H + 0 0 0 45,-0.3 19,-2.7 -3,-0.2 2,-0.2 0.028 41.7 114.6-124.1 19.8 -27.5 36.5 75.6 53 55 A Y E S-I 70 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.513 80.7 -70.7 -96.3 165.0 -24.9 34.7 77.9 54 56 A A E +I 66 0B 18 15,-2.0 11,-2.3 12,-0.9 12,-1.1 -0.247 68.6 161.6 -52.5 129.0 -23.6 35.5 81.4 55 57 A S - 0 0 17 9,-0.3 9,-0.2 10,-0.2 17,-0.2 -0.983 54.0-139.0-157.9 138.4 -21.4 38.6 80.9 56 58 A P - 0 0 60 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.540 51.5-131.8 -73.4 -5.7 -19.8 41.5 83.0 57 59 A N > + 0 0 24 6,-0.6 3,-0.9 2,-0.1 7,-0.1 0.751 61.6 142.3 60.1 31.7 -20.9 43.6 80.0 58 60 A T T 3 S+ 0 0 39 1,-0.2 325,-0.2 5,-0.2 -1,-0.1 0.784 94.6 22.3 -65.0 -22.9 -17.6 45.5 79.4 59 61 A D T > S- 0 0 9 4,-0.1 3,-2.0 106,-0.1 -1,-0.2 -0.236 122.6 -99.1-136.4 43.9 -18.6 45.0 75.7 60 62 A N T < S- 0 0 8 -3,-0.9 -44,-0.1 1,-0.3 -2,-0.0 0.875 93.7 -27.7 44.1 59.4 -22.4 44.5 76.1 61 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.099 117.1 97.1 95.1 -22.0 -22.5 40.7 75.9 62 64 A Y S < S+ 0 0 5 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.398 74.8 68.5 -84.0 2.4 -19.4 40.1 73.8 63 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 41,-0.0 2,-0.5 -0.895 78.7-167.4-114.6 96.5 -17.3 39.4 76.9 64 66 A I - 0 0 0 -2,-0.5 40,-2.6 38,-0.3 -9,-0.3 -0.738 22.4-179.5 -99.7 127.7 -18.8 36.1 78.2 65 67 A S S S+ 0 0 28 -11,-2.3 43,-0.7 -2,-0.5 2,-0.2 0.597 81.1 17.3-101.4 -13.5 -18.0 34.8 81.6 66 68 A D E > -I 54 0B 65 -12,-1.1 3,-1.2 3,-0.2 -12,-0.9 -0.775 60.3-161.8-157.0 114.0 -20.1 31.5 81.4 67 69 A Y E 3 S+ 0 0 6 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.588 89.6 55.5 -72.0 -12.0 -21.2 30.1 78.0 68 70 A R E 3 S+ 0 0 97 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.263 97.9 68.2-105.8 12.8 -23.9 27.9 79.6 69 71 A E E < S- 0 0 103 -3,-1.2 -15,-2.0 -15,-0.1 -3,-0.2 -0.938 79.6-116.8-130.3 150.2 -25.9 30.5 81.5 70 72 A V E -I 53 0B 12 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.1 -0.504 42.6 -87.7 -85.7 157.6 -28.1 33.4 80.3 71 73 A M >> - 0 0 0 -19,-2.7 4,-1.4 -17,-0.2 3,-1.0 -0.412 32.3-132.8 -65.0 131.8 -27.3 37.0 81.0 72 74 A K T 34 S+ 0 0 110 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.893 105.1 53.8 -54.8 -44.3 -28.7 38.2 84.3 73 75 A E T 34 S+ 0 0 71 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.805 108.0 50.5 -58.8 -31.1 -30.2 41.4 82.7 74 76 A Y T <4 S- 0 0 4 -3,-1.0 -45,-2.5 1,-0.3 -44,-0.5 0.795 116.0-105.9 -82.7 -25.9 -32.1 39.4 80.0 75 77 A G < - 0 0 20 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 -0.989 45.4 -46.4 139.6-150.1 -33.7 36.9 82.4 76 78 A T > - 0 0 80 -2,-0.3 4,-2.0 -3,-0.1 3,-0.3 -0.649 54.0 -97.2-115.2 170.0 -33.3 33.2 83.4 77 79 A M H > S+ 0 0 44 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.885 126.9 58.8 -52.8 -40.0 -32.8 30.0 81.4 78 80 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 104.0 50.6 -56.3 -40.2 -36.6 29.6 81.8 79 81 A D H > S+ 0 0 36 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.922 111.0 47.8 -64.7 -42.0 -37.1 33.0 80.0 80 82 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 111.4 50.4 -63.3 -46.7 -34.9 31.8 77.2 81 83 A D H X S+ 0 0 71 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.898 109.9 51.2 -56.1 -42.3 -36.8 28.5 76.9 82 84 A R H X S+ 0 0 135 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.858 107.8 52.3 -63.9 -39.2 -40.0 30.5 76.9 83 85 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.950 110.4 48.1 -59.1 -51.5 -38.7 32.6 74.0 84 86 A M H X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 111.9 49.5 -53.0 -49.8 -37.8 29.5 72.0 85 87 A A H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.898 111.7 47.8 -61.8 -42.2 -41.3 28.0 72.6 86 88 A E H X S+ 0 0 41 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.822 111.3 50.7 -69.4 -33.4 -43.1 31.1 71.5 87 89 A L H <>S+ 0 0 2 -4,-2.3 5,-2.9 -5,-0.2 3,-0.5 0.919 111.0 49.5 -64.7 -42.8 -40.9 31.4 68.4 88 90 A K H ><5S+ 0 0 174 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.920 103.8 58.2 -67.5 -39.6 -41.7 27.8 67.6 89 91 A K H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.4 45.4 -53.3 -34.6 -45.5 28.4 68.1 90 92 A R T 3<5S- 0 0 52 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.370 117.4-112.2 -93.6 2.9 -45.3 31.0 65.4 91 93 A G T < 5S+ 0 0 55 -3,-1.9 2,-0.2 -4,-0.3 -3,-0.2 0.754 73.4 139.0 73.4 23.4 -43.2 28.9 63.0 92 94 A M < - 0 0 9 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.658 44.2-136.7-101.4 157.9 -40.2 31.2 63.5 93 95 A R E -c 46 0A 94 -48,-1.7 -46,-2.4 -2,-0.2 2,-0.5 -0.849 6.4-137.7-117.0 151.1 -36.6 30.3 64.0 94 96 A L E -c 47 0A 5 -2,-0.3 99,-1.8 97,-0.2 100,-1.2 -0.932 11.6-170.5-109.4 125.9 -33.8 31.5 66.4 95 97 A M E -cd 48 194A 0 -48,-3.2 -46,-2.3 -2,-0.5 100,-0.2 -0.979 15.1-158.6-106.1 126.6 -30.2 32.3 65.4 96 98 A V E -cd 49 195A 0 98,-2.4 100,-2.7 -2,-0.5 2,-0.4 -0.677 18.8-112.1-102.8 163.6 -27.8 32.9 68.4 97 99 A D E - d 0 196A 0 -48,-0.6 2,-0.5 -2,-0.2 -45,-0.3 -0.747 24.6-155.8 -94.9 135.5 -24.5 34.7 68.4 98 100 A V E - d 0 197A 4 98,-3.0 100,-2.5 -2,-0.4 2,-0.7 -0.971 8.5-173.1-120.0 121.7 -21.4 32.6 69.1 99 101 A V + 0 0 1 -2,-0.5 -35,-0.2 98,-0.2 100,-0.1 -0.855 30.4 136.6-121.4 87.2 -18.4 34.5 70.6 100 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.147 48.5 84.6-129.0 18.7 -15.5 32.1 70.7 101 103 A N S S- 0 0 0 1,-0.3 68,-1.9 97,-0.2 2,-0.3 0.734 112.3 -2.9 -78.4 -26.7 -12.6 34.2 69.5 102 104 A H B -J 168 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.979 65.6-148.8-156.1 157.6 -12.3 35.4 73.1 103 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.718 39.0 -80.0-117.7 178.4 -14.0 35.1 76.5 104 106 A S > - 0 0 0 -40,-2.6 3,-0.9 -2,-0.2 6,-0.3 -0.421 34.0-123.1 -64.9 152.3 -14.4 37.5 79.5 105 107 A D T 3 S+ 0 0 16 60,-1.6 -1,-0.1 1,-0.2 61,-0.1 0.548 114.4 62.4 -73.3 -5.5 -11.5 37.8 81.9 106 108 A Q T 3 S+ 0 0 84 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.542 74.4 115.4 -93.0 -11.5 -14.0 36.7 84.5 107 109 A H S X> S- 0 0 15 -3,-0.9 4,-2.2 -43,-0.2 3,-0.8 -0.352 77.9-123.0 -53.8 136.8 -14.6 33.3 82.8 108 110 A E H 3> S+ 0 0 127 -43,-0.7 4,-2.0 1,-0.2 5,-0.2 0.797 110.8 62.5 -58.1 -27.9 -13.4 30.6 85.2 109 111 A W H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 108.6 41.4 -58.8 -46.1 -11.0 29.3 82.4 110 112 A F H <> S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.3 -2,-0.2 0.876 109.4 56.4 -72.9 -39.3 -9.2 32.7 82.5 111 113 A K H < S+ 0 0 74 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.930 116.6 38.9 -54.5 -43.0 -9.2 33.0 86.3 112 114 A S H >< S+ 0 0 44 -4,-2.0 3,-0.9 -5,-0.2 4,-0.4 0.903 113.1 55.3 -70.4 -46.3 -7.4 29.6 86.4 113 115 A S H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.893 109.7 45.8 -56.6 -44.2 -5.2 30.3 83.4 114 116 A R T 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.641 92.4 83.4 -75.3 -15.5 -3.7 33.5 84.8 115 117 A A T < S- 0 0 63 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.732 107.0 -19.6 -67.9 -25.9 -3.1 32.1 88.3 116 118 A S < - 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0 0 76 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.516 32.8-111.8 -85.7 162.0 -8.7 67.1 69.9 400 402 A A H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.880 120.3 53.7 -56.6 -40.7 -11.8 65.9 71.8 401 403 A E H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 107.5 49.5 -63.2 -41.9 -13.9 68.1 69.5 402 404 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.907 111.6 49.2 -61.3 -42.9 -12.4 66.5 66.4 403 405 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.971 112.7 48.4 -60.0 -51.3 -13.1 63.0 67.8 404 406 A L H X S+ 0 0 33 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.896 109.8 49.6 -52.2 -52.3 -16.7 64.0 68.6 405 407 A T H < S+ 0 0 91 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.919 119.3 38.3 -56.6 -46.6 -17.5 65.5 65.2 406 408 A N H >X S+ 0 0 42 -4,-1.9 3,-1.2 -5,-0.2 4,-0.7 0.922 115.4 48.3 -77.3 -47.6 -16.2 62.5 63.4 407 409 A V H 3X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 3,-0.3 0.773 96.7 72.0 -67.4 -24.8 -17.3 59.6 65.6 408 410 A A H 3< S+ 0 0 21 -4,-1.9 -1,-0.3 -5,-0.3 -36,-0.2 0.865 103.6 44.0 -54.6 -30.6 -20.8 61.0 65.8 409 411 A L H <4 S+ 0 0 94 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.769 126.6 27.9 -82.5 -26.4 -21.1 59.8 62.2 410 412 A T H < S+ 0 0 4 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.2 0.635 84.0 122.8-113.8 -19.7 -19.5 56.4 62.6 411 413 A S >< - 0 0 4 -4,-3.1 3,-1.6 1,-0.1 4,-0.3 -0.133 60.8-132.4 -61.3 144.3 -20.1 55.2 66.2 412 414 A R G > S+ 0 0 14 1,-0.3 3,-1.8 -87,-0.2 4,-0.5 0.740 102.0 75.7 -56.6 -30.7 -21.8 51.8 67.0 413 415 A D G >> S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.787 79.1 71.6 -60.4 -24.8 -23.9 53.7 69.5 414 416 A N G <4 S+ 0 0 0 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.837 102.9 42.6 -53.5 -32.2 -25.9 55.2 66.6 415 417 A A G <4 S+ 0 0 1 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.537 108.4 62.1 -90.5 -8.6 -27.4 51.6 66.2 416 418 A R T <4 + 0 0 2 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.407 66.0 117.5-108.0 0.8 -27.9 51.0 69.9 417 419 A T S < S- 0 0 1 -4,-0.6 21,-0.1 -3,-0.3 20,-0.1 -0.381 82.4 -76.4 -66.3 146.2 -30.4 53.7 71.0 418 420 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.139 51.5-101.4 -50.6 135.0 -33.7 52.2 72.3 419 421 A F - 0 0 0 -402,-2.7 2,-1.1 -3,-0.1 -55,-0.1 -0.321 36.5-123.1 -51.8 137.2 -36.2 50.9 69.7 420 422 A Q + 0 0 0 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.715 40.7 165.1 -99.9 92.6 -39.0 53.4 69.3 421 423 A W - 0 0 15 6,-1.6 27,-2.3 -2,-1.1 2,-0.3 0.841 62.2 -32.8 -78.3 -38.1 -42.3 51.7 70.0 422 424 A D - 0 0 50 5,-1.7 7,-0.1 25,-0.2 -1,-0.1 -0.886 68.9 -82.3-164.3-168.9 -44.6 54.7 70.4 423 425 A D S S+ 0 0 112 -2,-0.3 3,-0.1 4,-0.1 5,-0.1 0.258 85.0 109.3-104.1 18.2 -44.7 58.3 71.6 424 426 A S S > S- 0 0 54 1,-0.2 3,-1.9 2,-0.1 5,-0.2 -0.155 89.6 -48.2 -71.0 176.9 -45.1 57.6 75.4 425 427 A A G > S+ 0 0 70 1,-0.3 3,-1.7 2,-0.2 5,-0.4 -0.243 133.0 4.9 -51.1 132.8 -42.2 58.3 77.8 426 428 A N G > S- 0 0 46 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.769 126.5 -74.7 62.3 24.8 -38.9 56.9 76.5 427 429 A A G < S- 0 0 0 -3,-1.9 -5,-1.7 1,-0.3 -6,-1.6 0.709 81.7 -69.8 61.0 24.1 -40.8 55.8 73.3 428 430 A G G < S+ 0 0 15 -3,-1.7 -1,-0.3 2,-0.3 -2,-0.2 0.540 112.8 115.7 72.2 7.0 -42.5 53.0 75.2 429 431 A F S < S- 0 0 0 -3,-2.0 -409,-2.1 1,-0.2 2,-0.3 0.906 83.4 -0.9 -70.0 -41.4 -39.1 51.2 75.5 430 432 A T - 0 0 8 -5,-0.4 -2,-0.3 -4,-0.3 -1,-0.2 -0.969 45.6-144.5-147.9 155.2 -38.9 51.4 79.3 431 433 A T S S+ 0 0 132 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.468 95.2 50.4 -95.5 -7.1 -40.9 52.8 82.3 432 434 A G S S- 0 0 24 -6,-0.1 -2,-0.2 1,-0.1 -408,-0.2 0.060 113.0 -55.9-103.7-146.6 -37.4 53.6 83.9 433 435 A K - 0 0 182 -410,-0.5 -2,-0.1 -2,-0.0 -1,-0.1 -0.902 57.9-122.6-103.7 115.3 -34.3 55.4 82.7 434 436 A P - 0 0 20 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.240 12.3-127.7 -60.5 143.1 -32.9 53.9 79.4 435 437 A W S S+ 0 0 45 -410,-2.6 2,-0.4 -419,-0.2 -409,-0.1 0.818 101.9 25.5 -61.7 -28.8 -29.4 52.6 79.5 436 438 A L S S- 0 0 11 -411,-0.3 -1,-0.1 -20,-0.1 -56,-0.1 -0.994 105.8 -94.0-132.9 139.4 -28.7 54.8 76.5 437 439 A K - 0 0 97 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.222 36.2-119.8 -60.0 141.0 -30.8 57.9 75.6 438 440 A V - 0 0 19 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.517 35.0-102.8 -74.5 141.7 -33.7 57.6 73.3 439 441 A N > - 0 0 5 -21,-0.3 3,-1.8 -2,-0.2 -1,-0.1 -0.481 24.0-132.6 -66.9 131.1 -33.5 59.7 70.1 440 442 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.682 100.0 76.1 -61.6 -14.3 -35.8 62.8 70.5 441 443 A N G >> + 0 0 40 1,-0.2 3,-2.1 2,-0.1 4,-1.9 0.460 63.0 99.8 -77.3 4.4 -37.2 62.1 67.0 442 444 A Y G <4 + 0 0 55 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.0 0.731 68.9 70.5 -59.6 -22.0 -39.3 59.2 68.5 443 445 A T G <4 S+ 0 0 90 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.751 114.7 24.6 -65.0 -23.0 -42.2 61.7 68.5 444 446 A E T <4 S+ 0 0 55 -3,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.575 123.6 54.1-113.8 -18.9 -42.2 61.4 64.7 445 447 A I S < S+ 0 0 4 -4,-1.9 2,-0.3 -23,-0.1 -1,-0.2 -0.933 71.9 125.0-124.6 102.1 -40.6 57.9 64.3 446 448 A N > - 0 0 5 -2,-0.5 4,-2.1 -25,-0.1 -25,-0.3 -0.975 63.0-119.1-160.0 145.7 -42.3 55.1 66.2 447 449 A A H > S+ 0 0 2 -27,-2.2 4,-3.1 -2,-0.3 5,-0.3 0.883 109.4 58.4 -51.7 -44.3 -43.9 51.7 65.5 448 450 A A H > S+ 0 0 59 -27,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.926 112.5 39.3 -60.7 -44.2 -47.4 52.7 66.8 449 451 A R H 4 S+ 0 0 97 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.869 117.5 50.0 -71.5 -36.7 -47.7 55.5 64.3 450 452 A E H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 6,-0.3 0.907 105.7 54.3 -70.1 -42.5 -46.0 53.5 61.4 451 453 A I H 3< S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.890 106.7 53.0 -62.0 -36.1 -48.2 50.4 61.8 452 454 A G T 3< S+ 0 0 69 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.529 98.2 76.5 -74.6 -6.5 -51.4 52.4 61.4 453 455 A D X - 0 0 40 -3,-1.5 3,-2.0 -4,-0.3 6,-0.4 -0.920 60.1-160.3-121.2 112.9 -50.3 54.1 58.2 454 456 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.666 96.6 52.5 -57.4 -23.9 -50.4 52.3 54.8 455 457 A K T 3 S+ 0 0 172 4,-0.1 -5,-0.1 5,-0.0 5,-0.0 0.379 89.7 113.2 -95.9 2.8 -47.9 54.9 53.3 456 458 A S S <> S- 0 0 1 -3,-2.0 4,-1.7 -6,-0.3 5,-0.1 -0.090 80.4-111.2 -74.7 168.6 -45.3 54.4 56.1 457 459 A V H > S+ 0 0 0 -90,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 120.2 53.7 -61.6 -45.5 -41.7 53.0 56.0 458 460 A Y H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 107.8 49.7 -54.4 -44.6 -43.0 50.0 58.1 459 461 A S H > S+ 0 0 13 -6,-0.4 4,-2.6 -9,-0.3 -1,-0.2 0.870 109.6 51.1 -66.0 -37.4 -45.8 49.3 55.6 460 462 A F H X S+ 0 0 13 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.948 110.0 48.4 -66.4 -49.5 -43.4 49.4 52.7 461 463 A Y H X S+ 0 0 12 -4,-2.4 4,-2.7 -95,-0.2 -2,-0.2 0.938 112.5 50.7 -53.1 -45.5 -41.0 46.9 54.3 462 464 A R H X S+ 0 0 113 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.936 111.4 46.7 -59.9 -45.8 -44.0 44.7 55.1 463 465 A N H X S+ 0 0 76 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 112.5 49.9 -63.8 -40.6 -45.2 44.9 51.5 464 466 A L H X S+ 0 0 2 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.897 106.9 55.1 -64.6 -41.8 -41.7 44.2 50.1 465 467 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.897 109.0 47.7 -58.4 -41.3 -41.3 41.2 52.4 466 468 A S H X S+ 0 0 48 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.928 112.1 50.3 -64.0 -44.1 -44.6 39.7 51.0 467 469 A I H X S+ 0 0 25 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.950 111.1 47.8 -61.0 -47.9 -43.4 40.3 47.4 468 470 A R H >< S+ 0 0 5 -4,-3.2 3,-1.2 1,-0.2 -1,-0.2 0.916 111.4 50.7 -56.3 -48.0 -40.0 38.7 48.1 469 471 A H H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 114.5 45.4 -59.6 -33.8 -41.7 35.6 49.7 470 472 A E H 3< S+ 0 0 143 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.491 106.1 62.9 -88.3 -5.3 -44.0 35.4 46.7 471 473 A T X< - 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0 0 16 -3,-1.4 56,-0.0 -4,-0.2 -3,-0.0 -0.787 48.0-178.6 -94.4 141.2 29.1 66.7 101.2 936 383 B D + 0 0 54 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.693 47.8 118.4 -95.2 -31.8 29.1 63.3 99.4 937 384 B D >> - 0 0 2 1,-0.1 4,-1.4 3,-0.1 3,-0.8 -0.084 57.3-151.0 -59.6 125.4 27.0 61.6 101.9 938 385 B I H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.771 97.3 64.9 -58.3 -31.3 23.6 60.2 100.8 939 386 B E H 3> S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 101.2 50.0 -60.3 -37.6 22.3 60.7 104.3 940 387 B V H <> S+ 0 0 8 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.889 107.7 52.8 -70.0 -37.6 22.8 64.5 103.9 941 388 B K H X S+ 0 0 124 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.904 108.9 51.3 -60.8 -39.5 20.9 64.3 100.6 942 389 B G H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -242,-0.3 0.880 107.8 50.4 -63.9 -42.4 18.1 62.5 102.5 943 390 B F H X>S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 5,-0.8 0.907 110.3 52.1 -60.7 -41.6 18.0 65.3 105.2 944 391 B F H X>S+ 0 0 70 -4,-2.4 5,-2.6 3,-0.2 4,-1.8 0.953 113.0 43.7 -57.1 -51.3 17.8 67.8 102.3 945 392 B Q H <5S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.0 40.4 -60.4 -44.3 14.8 65.9 100.8 946 393 B D H <5S+ 0 0 46 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.797 132.1 17.6 -80.5 -26.7 13.1 65.4 104.2 947 394 B Y H <>S+ 0 0 50 -4,-2.9 6,-2.4 -5,-0.2 5,-0.5 0.696 127.0 38.7-119.8 -31.9 13.7 68.8 105.8 948 395 B V T >< - 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0 0 4 -4,-3.4 3,-1.6 1,-0.1 4,-0.3 -0.144 60.2-134.1 -60.4 142.7 27.8 64.3 109.2 967 414 B R G > S+ 0 0 14 1,-0.3 3,-1.7 -87,-0.2 4,-0.4 0.746 101.0 75.5 -59.0 -28.6 29.5 60.9 108.5 968 415 B D G >> S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.786 79.0 71.9 -61.4 -23.3 31.6 62.8 105.9 969 416 B N G <4 S+ 0 0 0 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.838 102.0 43.3 -56.8 -31.5 33.7 64.2 108.7 970 417 B A G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.514 108.5 61.8 -88.5 -6.2 35.2 60.7 109.3 971 418 B R T <4 + 0 0 2 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.363 66.0 116.8-109.9 -1.0 35.7 60.1 105.5 972 419 B T S < S- 0 0 1 -4,-0.5 21,-0.2 -3,-0.3 20,-0.1 -0.387 82.7 -78.1 -64.2 146.2 38.1 62.8 104.4 973 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.178 50.3 -99.6 -53.6 140.1 41.4 61.2 103.2 974 421 B F - 0 0 0 -402,-2.7 2,-1.1 -3,-0.1 -55,-0.1 -0.332 36.1-124.7 -55.0 136.5 44.0 60.0 105.7 975 422 B Q + 0 0 1 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.740 39.0 166.5 -99.1 94.5 46.7 62.6 106.1 976 423 B W - 0 0 14 6,-1.7 27,-2.4 -2,-1.1 2,-0.2 0.865 62.6 -31.2 -78.6 -42.3 50.0 60.8 105.4 977 424 B D S S- 0 0 52 5,-1.5 7,-0.1 25,-0.2 25,-0.1 -0.829 70.6 -82.6-157.2-162.6 52.4 63.8 105.0 978 425 B D S S+ 0 0 108 -2,-0.2 3,-0.1 4,-0.1 20,-0.1 0.164 85.4 109.1-108.4 21.9 52.4 67.4 103.8 979 426 B S S > S- 0 0 56 1,-0.2 3,-1.9 2,-0.1 5,-0.1 -0.101 88.7 -47.0 -75.6-176.9 52.8 66.8 100.1 980 427 B A G > S+ 0 0 68 1,-0.3 3,-1.8 2,-0.2 5,-0.4 -0.291 133.5 4.6 -54.5 133.2 49.9 67.4 97.6 981 428 B N G > S- 0 0 45 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.789 126.1 -75.1 62.7 25.7 46.7 65.9 98.9 982 429 B A G < S- 0 0 0 -3,-1.9 -6,-1.7 1,-0.3 -5,-1.5 0.759 82.8 -68.1 56.5 26.3 48.5 65.0 102.2 983 430 B G G < S+ 0 0 13 -3,-1.8 -1,-0.3 2,-0.3 -2,-0.2 0.578 112.9 116.5 71.7 7.9 50.2 62.1 100.3 984 431 B F S < S- 0 0 0 -3,-2.1 -409,-2.1 1,-0.2 2,-0.3 0.903 82.8 -4.8 -72.6 -42.0 46.8 60.3 99.9 985 432 B T - 0 0 7 -5,-0.4 -2,-0.3 -4,-0.3 -1,-0.2 -0.965 46.5-141.2-148.3 159.0 46.7 60.5 96.1 986 433 B T S S+ 0 0 134 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.462 95.2 51.0 -98.3 -5.4 48.6 61.9 93.1 987 434 B G S S- 0 0 24 -6,-0.1 -2,-0.2 1,-0.1 -408,-0.1 0.084 113.1 -56.0-103.6-145.7 45.2 62.7 91.5 988 435 B K - 0 0 131 -410,-0.4 -2,-0.1 -2,-0.0 -1,-0.1 -0.905 58.4-122.0-101.9 119.8 42.1 64.5 92.7 989 436 B P - 0 0 20 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.258 11.6-127.6 -65.4 149.1 40.7 63.0 95.9 990 437 B W S S+ 0 0 46 -410,-2.4 2,-0.4 -419,-0.2 -409,-0.1 0.800 101.9 24.7 -63.3 -30.2 37.1 61.7 95.9 991 438 B L S S- 0 0 13 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.996 104.9 -95.9-133.2 135.8 36.4 63.9 99.0 992 439 B K - 0 0 99 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.217 35.6-118.5 -59.6 141.9 38.5 67.0 99.8 993 440 B V - 0 0 20 -21,-0.2 -1,-0.1 1,-0.1 -11,-0.1 -0.505 34.5-102.4 -73.8 139.6 41.4 66.7 102.2 994 441 B N > - 0 0 5 -21,-0.3 3,-1.8 -2,-0.2 -1,-0.1 -0.458 24.5-134.0 -62.5 127.0 41.2 68.8 105.4 995 442 B P G > S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.715 100.1 77.6 -56.6 -18.5 43.5 71.9 104.9 996 443 B N G >> + 0 0 40 1,-0.2 4,-2.0 2,-0.1 3,-1.7 0.454 64.7 97.7 -71.6 5.5 44.8 71.2 108.5 997 444 B Y G <4 + 0 0 54 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.0 0.744 69.3 68.0 -65.7 -22.6 46.9 68.4 106.9 998 445 B T G <4 S+ 0 0 87 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.749 115.3 27.3 -69.0 -20.2 49.9 70.7 106.8 999 446 B E T <4 S+ 0 0 57 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.610 124.2 51.8-108.9 -19.9 49.9 70.6 110.7 1000 447 B I S < S+ 0 0 4 -4,-2.0 2,-0.3 -23,-0.1 -1,-0.2 -0.921 73.3 125.7-123.4 100.5 48.3 67.1 111.2 1001 448 B N > - 0 0 4 -2,-0.5 4,-2.2 -3,-0.1 -25,-0.3 -0.989 62.5-118.1-156.4 150.4 50.0 64.3 109.2 1002 449 B A H > S+ 0 0 1 -27,-2.2 4,-2.9 -2,-0.3 5,-0.3 0.880 109.6 56.7 -56.8 -42.5 51.6 60.8 109.9 1003 450 B A H > S+ 0 0 59 -27,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.937 111.9 42.1 -62.3 -45.3 55.1 61.8 108.7 1004 451 B R H 4 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.919 117.1 48.7 -63.0 -43.3 55.3 64.7 111.2 1005 452 B E H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 9,-0.3 0.865 105.8 54.7 -65.1 -42.2 53.8 62.6 114.0 1006 453 B I H 3< S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.0 52.1 -66.1 -31.9 55.9 59.5 113.6 1007 454 B G T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.518 98.2 77.9 -81.4 -4.1 59.1 61.5 114.0 1008 455 B D X - 0 0 38 -3,-1.3 3,-1.7 -4,-0.3 6,-0.4 -0.927 59.7-160.8-119.5 116.4 58.0 63.3 117.2 1009 456 B P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.651 96.4 51.2 -65.5 -21.4 58.1 61.5 120.6 1010 457 B K T 3 S+ 0 0 170 4,-0.1 -5,-0.1 5,-0.0 -2,-0.0 0.328 89.5 116.1 -95.2 4.1 55.6 64.0 122.1 1011 458 B S S <> S- 0 0 1 -3,-1.7 4,-1.7 -6,-0.3 5,-0.1 -0.169 79.2-113.3 -73.2 162.8 53.0 63.6 119.3 1012 459 B V H > S+ 0 0 0 -90,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 119.3 53.2 -55.4 -46.5 49.5 62.2 119.5 1013 460 B Y H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.929 107.3 49.4 -56.7 -47.8 50.6 59.2 117.4 1014 461 B S H > S+ 0 0 14 -6,-0.4 4,-2.4 -9,-0.3 -1,-0.2 0.851 109.9 52.6 -62.7 -33.3 53.6 58.4 119.7 1015 462 B F H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.927 109.5 48.1 -70.4 -44.4 51.2 58.6 122.7 1016 463 B Y H X S+ 0 0 11 -4,-2.4 4,-2.4 -95,-0.3 -2,-0.2 0.927 111.2 51.8 -55.8 -46.8 48.8 56.1 121.1 1017 464 B R H X S+ 0 0 61 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.942 111.6 46.0 -59.5 -46.7 51.8 53.8 120.3 1018 465 B N H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 111.9 51.0 -61.9 -41.8 52.9 53.9 124.0 1019 466 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.872 108.2 52.7 -61.5 -41.2 49.4 53.3 125.4 1020 467 B I H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 109.4 48.5 -63.0 -44.6 49.0 50.3 123.1 1021 468 B S H X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.953 112.3 49.6 -57.0 -48.6 52.3 48.8 124.4 1022 469 B I H X S+ 0 0 23 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.902 110.8 48.6 -61.0 -43.0 51.2 49.4 127.9 1023 470 B R H >< S+ 0 0 7 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.941 110.0 52.2 -58.7 -48.9 47.8 47.8 127.3 1024 471 B H H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 114.0 44.6 -58.3 -31.0 49.5 44.8 125.7 1025 472 B E H 3< S+ 0 0 146 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.475 107.2 63.2 -89.2 -6.4 51.8 44.5 128.8 1026 473 B T X< - 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