==== 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-JUL-07 2QM1 . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR Y.KIM,G.JOACHIMIAK,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 1297 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 89 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.5 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 9 0 0 1 3 10 2 4 4 3 1 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 7 5 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 . 14 5 4 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 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 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 S 0 0 124 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 58.0 60.2 36.6 22.8 2 -1 A N > - 0 0 98 3,-0.2 3,-2.4 1,-0.1 0, 0.0 -0.880 360.0-169.9-107.7 99.1 59.6 39.8 20.7 3 0 A A G > S+ 0 0 74 -2,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.659 86.1 62.2 -63.3 -18.9 60.5 42.7 23.0 4 1 A X G 3 S+ 0 0 181 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.434 106.3 49.9 -79.9 -1.4 59.0 45.2 20.4 5 2 A D G < S+ 0 0 82 -3,-2.4 -1,-0.2 19,-0.0 -3,-0.2 -0.241 71.3 154.4-135.6 49.3 55.6 43.4 21.1 6 3 A K < - 0 0 68 -3,-0.5 19,-0.7 62,-0.1 2,-0.3 -0.361 28.1-144.6 -76.2 164.3 54.8 43.2 24.8 7 4 A K E -Ab 24 68A 34 60,-2.2 62,-2.5 17,-0.2 63,-0.7 -0.746 2.0-135.7-128.8 163.4 51.3 42.9 26.1 8 5 A I E -Ab 23 70A 0 15,-2.7 15,-2.3 -2,-0.3 2,-0.4 -0.902 14.3-142.2-122.2 147.6 49.4 44.2 29.1 9 6 A I E -Ab 22 71A 1 61,-1.9 63,-2.9 -2,-0.3 2,-0.4 -0.965 12.0-163.4-111.7 134.1 47.0 42.2 31.3 10 7 A G E -Ab 21 72A 0 11,-2.4 11,-1.9 -2,-0.4 2,-0.4 -0.926 2.8-169.0-111.9 143.5 43.8 43.6 32.7 11 8 A I E -Ab 20 73A 0 61,-2.4 63,-2.7 -2,-0.4 2,-0.6 -0.998 7.4-167.4-131.5 131.5 41.8 42.1 35.5 12 9 A D E -Ab 19 74A 23 7,-3.1 7,-2.8 -2,-0.4 2,-0.8 -0.943 13.6-157.6-118.2 102.6 38.4 43.3 36.6 13 10 A L E +A 18 0A 0 61,-2.4 5,-0.2 -2,-0.6 2,-0.2 -0.774 18.3 175.0 -89.6 108.6 37.5 41.6 40.0 14 11 A G - 0 0 21 3,-2.1 -2,-0.0 -2,-0.8 61,-0.0 -0.588 44.5-106.0-105.0 166.7 33.7 41.5 40.5 15 12 A G S S+ 0 0 32 -2,-0.2 24,-0.1 1,-0.2 3,-0.1 0.583 117.2 20.5 -69.2 -8.9 31.7 40.0 43.3 16 13 A T S S+ 0 0 114 1,-0.4 21,-2.1 20,-0.1 2,-0.3 0.617 129.4 23.9-130.9 -38.9 30.6 37.1 41.1 17 14 A T E - C 0 36A 60 19,-0.3 -3,-2.1 21,-0.0 2,-0.5 -0.956 60.6-140.4-130.7 154.3 33.0 36.9 38.2 18 15 A I E -AC 13 35A 0 17,-3.3 17,-1.6 -2,-0.3 2,-0.3 -0.967 21.1-155.3-108.4 124.0 36.6 37.9 37.5 19 16 A K E -AC 12 34A 37 -7,-2.8 -7,-3.1 -2,-0.5 2,-0.3 -0.811 11.1-174.0-101.5 142.0 37.2 39.3 34.0 20 17 A F E -AC 11 33A 2 13,-2.2 13,-1.2 -2,-0.3 2,-0.3 -0.914 2.9-178.3-125.9 153.2 40.7 39.2 32.3 21 18 A A E -AC 10 32A 0 -11,-1.9 -11,-2.4 -2,-0.3 2,-0.5 -0.981 18.7-148.8-148.6 145.4 42.0 40.6 29.1 22 19 A I E +AC 9 31A 5 9,-2.9 8,-4.1 -2,-0.3 9,-1.5 -0.980 28.9 174.3-104.7 128.4 45.2 40.6 27.1 23 20 A L E -AC 8 29A 0 -15,-2.3 -15,-2.7 -2,-0.5 6,-0.2 -0.900 33.5-115.0-126.0 157.7 45.8 43.8 25.1 24 21 A T E > -A 7 0A 22 4,-2.1 3,-2.5 -2,-0.3 -17,-0.2 -0.409 47.4 -98.2 -75.0 168.4 48.6 45.2 23.0 25 22 A T T 3 S+ 0 0 55 -19,-0.7 -1,-0.1 1,-0.3 -18,-0.1 0.730 127.6 59.5 -70.0 -19.1 50.1 48.4 24.5 26 23 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.366 123.8-108.2 -81.5 -0.4 47.9 50.5 22.2 27 24 A G < + 0 0 6 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.685 65.4 151.4 85.8 18.7 45.0 48.8 23.9 28 25 A V - 0 0 82 1,-0.0 -4,-2.1 2,-0.0 -1,-0.3 -0.732 50.6-117.2 -80.6 129.1 43.8 46.5 21.2 29 26 A V E +C 23 0A 62 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.472 39.9 168.1 -68.4 127.1 42.1 43.4 22.7 30 27 A Q E + 0 0 93 -8,-4.1 2,-0.3 1,-0.4 -7,-0.2 0.765 67.9 4.3 -99.0 -46.1 44.0 40.1 21.9 31 28 A Q E -C 22 0A 76 -9,-1.5 -9,-2.9 2,-0.0 -1,-0.4 -0.996 56.7-171.0-143.8 140.2 42.3 37.7 24.4 32 29 A K E +C 21 0A 83 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.997 16.8 156.9-128.8 139.5 39.4 37.9 26.9 33 30 A W E -C 20 0A 24 -13,-1.2 -13,-2.2 -2,-0.4 2,-0.3 -0.940 17.1-158.4-144.7 169.9 38.4 35.2 29.5 34 31 A S E -C 19 0A 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.977 6.0-171.3-144.8 161.8 36.6 34.9 32.8 35 32 A I E -C 18 0A 47 -17,-1.6 -17,-3.3 -2,-0.3 2,-0.1 -0.949 36.8 -95.0-138.7 163.1 36.3 32.7 35.9 36 33 A E E -C 17 0A 157 -2,-0.3 2,-0.7 -19,-0.2 -19,-0.3 -0.413 36.1-115.3 -77.5 159.9 33.9 32.8 38.8 37 34 A T - 0 0 14 -21,-2.1 2,-0.9 -2,-0.1 -1,-0.1 -0.879 22.8-156.0 -93.0 113.2 34.8 34.6 42.0 38 35 A N + 0 0 57 -2,-0.7 7,-0.4 1,-0.1 8,-0.2 -0.817 17.9 173.1 -91.4 105.4 35.1 32.1 44.9 39 36 A I > + 0 0 52 -2,-0.9 4,-1.4 -24,-0.1 3,-0.3 0.378 33.6 125.2 -89.3 0.6 34.5 34.2 48.0 40 37 A L T 4> + 0 0 115 1,-0.2 5,-0.6 2,-0.2 4,-0.4 -0.249 64.9 26.8 -65.1 153.4 34.4 31.2 50.5 41 38 A E T >45S- 0 0 109 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.903 139.1 -49.7 65.2 50.7 36.8 31.2 53.5 42 39 A D T 345S- 0 0 100 -3,-0.3 54,-0.2 1,-0.3 -1,-0.2 0.789 100.1 -67.1 64.8 27.2 37.2 35.0 53.9 43 40 A G T ><5S+ 0 0 1 -4,-1.4 3,-1.2 -3,-0.2 4,-0.5 0.627 94.5 141.3 71.8 16.5 38.0 35.4 50.2 44 41 A K T < 5 + 0 0 115 -3,-1.4 -3,-0.1 -4,-0.4 -2,-0.1 0.624 65.2 51.6 -69.4 -14.8 41.3 33.5 50.6 45 42 A H T 3> S+ 0 0 0 -3,-1.2 4,-1.8 -8,-0.2 5,-0.1 0.936 93.2 39.3 -63.6 -57.9 40.4 34.7 45.0 47 44 A V H > S+ 0 0 3 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.907 115.9 52.3 -66.6 -38.9 44.0 35.8 44.4 48 45 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.904 109.5 50.6 -61.0 -35.0 45.3 32.2 44.1 49 46 A S H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.872 110.1 49.9 -66.0 -37.6 42.6 31.5 41.5 50 47 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.943 112.4 46.8 -64.6 -47.5 43.6 34.6 39.5 51 48 A I H X S+ 0 0 19 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.918 113.6 48.7 -58.2 -48.7 47.3 33.6 39.5 52 49 A E H X S+ 0 0 132 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.919 111.5 49.0 -56.3 -50.0 46.3 30.0 38.5 53 50 A S H X S+ 0 0 12 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.893 116.4 42.4 -60.5 -44.0 44.1 31.3 35.7 54 51 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.902 114.0 51.1 -66.6 -44.8 46.9 33.7 34.4 55 52 A R H X S+ 0 0 125 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.960 112.8 47.3 -55.8 -47.8 49.7 31.0 34.9 56 53 A H H X S+ 0 0 117 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.886 112.3 48.3 -63.1 -43.0 47.6 28.5 32.9 57 54 A R H X S+ 0 0 61 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.898 109.7 51.6 -65.7 -47.1 46.8 31.0 30.1 58 55 A I H <>S+ 0 0 16 -4,-2.9 5,-2.8 1,-0.2 4,-0.3 0.930 112.6 48.0 -51.5 -49.9 50.5 32.0 29.8 59 56 A D H ><5S+ 0 0 111 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.891 110.2 51.4 -59.5 -44.6 51.2 28.3 29.5 60 57 A L H 3<5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.945 113.5 43.8 -55.5 -49.8 48.4 27.7 26.8 61 58 A Y T 3<5S- 0 0 66 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.371 110.7-118.9 -85.6 4.6 49.7 30.5 24.6 62 59 A N T < 5 + 0 0 143 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.906 65.9 146.0 57.5 42.1 53.3 29.6 24.9 63 60 A X < - 0 0 38 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.588 34.6-153.4-101.9 167.1 54.0 32.9 26.5 64 61 A K > - 0 0 87 -2,-0.2 3,-2.3 -3,-0.1 4,-0.1 -0.938 35.6 -96.6-137.0 165.4 56.5 33.9 29.2 65 62 A K G > S+ 0 0 108 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.811 117.9 63.1 -51.7 -32.5 56.8 36.6 31.8 66 63 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 44,-0.1 -60,-0.0 0.656 89.0 68.1 -71.8 -16.3 59.0 38.7 29.6 67 64 A D G < S+ 0 0 17 -3,-2.3 -60,-2.2 -61,-0.1 2,-0.4 0.368 92.6 76.2 -77.2 0.3 56.2 39.1 27.0 68 65 A F E < -b 7 0A 8 -3,-1.5 -60,-0.2 -62,-0.2 3,-0.1 -0.960 58.4-162.7-121.4 133.0 54.3 41.3 29.5 69 66 A V E S- 0 0 15 -62,-2.5 2,-0.3 -2,-0.4 -61,-0.2 0.863 72.4 -64.6 -71.4 -40.8 54.8 44.9 30.5 70 67 A G E -b 8 0A 0 -63,-0.7 -61,-1.9 40,-0.1 2,-0.4 -0.989 45.4 -92.7 174.8-174.3 52.6 44.3 33.6 71 68 A I E -bd 9 112A 0 40,-2.4 42,-1.7 -2,-0.3 2,-0.4 -0.986 27.2-164.1-127.4 135.4 49.3 43.4 35.0 72 69 A G E -bd 10 113A 0 -63,-2.9 -61,-2.4 -2,-0.4 2,-0.4 -0.961 5.3-166.9-121.2 140.8 46.6 45.8 36.2 73 70 A X E -bd 11 114A 0 40,-1.8 42,-2.0 -2,-0.4 2,-0.4 -0.996 13.1-154.8-129.2 133.7 43.6 45.1 38.4 74 71 A G E +bd 12 115A 0 -63,-2.7 -61,-2.4 -2,-0.4 42,-0.2 -0.879 29.1 172.0 -96.3 133.9 40.4 46.9 39.3 75 72 A T E - d 0 116A 0 40,-1.9 42,-1.8 -2,-0.4 43,-0.1 -0.967 31.9-122.8-139.8 152.1 38.9 45.9 42.6 76 73 A P S S+ 0 0 16 0, 0.0 13,-0.2 0, 0.0 2,-0.1 -0.266 71.6 59.1 -74.4-176.7 36.2 46.8 45.1 77 74 A G S S- 0 0 32 11,-0.3 2,-0.7 9,-0.1 11,-0.2 -0.357 100.8 -46.6 97.5-174.6 37.2 47.7 48.6 78 75 A S E -E 87 0B 77 9,-3.7 9,-1.4 -2,-0.1 2,-0.3 -0.902 64.7-157.9-102.1 115.0 39.5 50.2 50.2 79 76 A V E -E 86 0B 36 -2,-0.7 2,-0.6 7,-0.2 7,-0.2 -0.756 23.7-162.2 -98.9 139.9 42.7 50.2 48.2 80 77 A D E >> -E 85 0B 55 5,-2.1 5,-1.8 -2,-0.3 4,-1.8 -0.968 15.6-170.2-109.6 110.1 46.3 51.3 49.1 81 78 A I T 45S+ 0 0 61 -2,-0.6 33,-0.3 2,-0.2 -1,-0.1 0.885 78.5 53.2 -70.6 -44.0 47.9 51.7 45.7 82 79 A E T 45S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.951 119.6 33.9 -56.5 -55.2 51.5 52.1 46.7 83 80 A K T 45S- 0 0 152 2,-0.1 -1,-0.2 18,-0.0 19,-0.2 0.756 105.4-129.6 -70.3 -28.3 51.5 49.0 48.9 84 81 A G T <5 + 0 0 0 -4,-1.8 17,-2.4 1,-0.2 18,-0.3 0.860 57.9 139.0 75.1 42.2 49.1 47.1 46.6 85 82 A T E < -E 80 0B 25 -5,-1.8 -5,-2.1 15,-0.2 2,-0.3 -0.755 37.9-156.1-117.3 161.8 46.7 46.0 49.3 86 83 A V E +EF 79 98B 0 12,-1.4 12,-3.0 -2,-0.3 2,-0.3 -0.975 15.4 166.2-133.8 148.3 42.9 45.8 49.6 87 84 A V E +E 78 0B 47 -9,-1.4 -9,-3.7 -2,-0.3 8,-0.2 -0.970 57.2 33.8-159.5 148.0 40.7 45.8 52.7 88 85 A G + 0 0 22 6,-1.1 2,-1.0 -2,-0.3 -11,-0.3 0.806 61.7 140.0 72.9 31.5 36.9 46.3 53.3 89 86 A A B > > +G 94 0C 1 5,-1.2 5,-2.2 -13,-0.2 3,-1.7 -0.771 24.5 175.2 -96.0 84.0 35.7 44.6 50.1 90 87 A Y G > 5S+ 0 0 171 -2,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.792 70.8 63.1 -74.2 -20.9 32.8 42.9 52.0 91 88 A N G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.1 -52,-0.1 0.703 108.6 45.7 -68.3 -15.7 31.2 41.4 48.9 92 89 A L G < 5S- 0 0 0 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.422 114.8-117.5 -98.5 -4.3 34.5 39.5 48.6 93 90 A N T < 5 + 0 0 61 -3,-1.1 2,-1.5 -4,-0.3 3,-0.2 0.753 65.4 149.5 66.0 21.1 34.6 38.5 52.3 94 91 A W B < +G 89 0C 0 -5,-2.2 -5,-1.2 1,-0.2 -6,-1.1 -0.672 1.9 144.6 -89.1 84.7 37.8 40.6 52.4 95 92 A T + 0 0 81 -2,-1.5 2,-0.2 -53,-0.2 -1,-0.2 0.619 60.1 57.5 -94.4 -17.2 37.6 41.8 56.0 96 93 A T S S- 0 0 86 -3,-0.2 2,-0.3 -54,-0.2 -8,-0.1 -0.739 105.3 -78.8-108.9 161.3 41.4 41.6 56.5 97 94 A V - 0 0 98 -2,-0.2 -10,-0.2 -10,-0.1 -2,-0.1 -0.459 45.2-150.8 -64.6 119.3 44.3 43.3 54.6 98 95 A Q B -F 86 0B 20 -12,-3.0 2,-1.7 -2,-0.3 -12,-1.4 -0.834 7.0-149.3 -93.1 121.9 44.9 41.4 51.4 99 96 A P > + 0 0 52 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.340 36.3 157.2 -90.1 63.9 48.4 41.6 50.2 100 97 A V H > + 0 0 0 -2,-1.7 4,-2.5 1,-0.2 -15,-0.2 0.854 67.1 50.6 -55.9 -43.6 47.4 41.3 46.5 101 98 A K H > S+ 0 0 48 -17,-2.4 4,-2.4 -3,-0.3 5,-0.4 0.920 112.3 47.1 -66.6 -41.8 50.4 42.9 44.9 102 99 A E H > S+ 0 0 132 -18,-0.3 4,-2.5 -19,-0.2 5,-0.2 0.941 111.6 51.6 -61.5 -46.2 52.9 40.7 46.9 103 100 A Q H X S+ 0 0 61 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.944 114.7 43.1 -57.4 -47.3 50.8 37.6 46.0 104 101 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.930 119.0 38.8 -64.5 -55.0 50.9 38.4 42.3 105 102 A E H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 115.7 53.3 -67.2 -42.7 54.5 39.5 41.8 106 103 A S H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.676 119.9 34.7 -67.7 -19.6 55.8 36.8 44.2 107 104 A A H < S+ 0 0 33 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.785 132.7 24.4 -95.6 -39.2 54.0 34.2 42.1 108 105 A L H < S- 0 0 21 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.684 82.2-138.5-101.8 -21.8 54.2 35.5 38.5 109 106 A G < + 0 0 41 -4,-2.3 -4,-0.2 -5,-0.4 -3,-0.1 0.683 66.2 121.1 64.2 18.4 57.3 37.8 38.5 110 107 A I S S- 0 0 3 -6,-0.3 -1,-0.2 -5,-0.0 -2,-0.2 -0.950 72.7-105.5-111.3 133.0 55.3 40.3 36.4 111 108 A P - 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0 0 9 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.926 45.6-140.2-151.2 135.9 0.3 59.3 39.0 212 209 A E H > S+ 0 0 93 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.792 107.2 59.6 -58.9 -32.2 0.7 55.6 38.9 213 210 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 106.7 44.5 -60.7 -48.2 4.1 56.2 40.7 214 211 A K H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.897 112.3 50.7 -68.3 -42.1 2.4 57.8 43.6 215 212 A Q H X S+ 0 0 123 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.857 109.8 51.8 -62.1 -37.8 -0.4 55.2 44.0 216 213 A A H X>S+ 0 0 8 -4,-1.8 5,-2.0 2,-0.2 4,-1.7 0.928 110.8 46.2 -66.3 -48.9 2.2 52.4 43.9 217 214 A I H <5S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.935 116.8 46.7 -50.5 -49.9 4.3 54.1 46.7 218 215 A D H <5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.550 105.9 57.4 -78.8 -8.5 1.0 54.6 48.5 219 216 A D H <5S- 0 0 122 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.796 119.5-112.8 -78.7 -34.6 -0.1 51.0 47.9 220 217 A G T <5 + 0 0 65 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.466 61.8 155.5 112.1 9.6 3.1 49.9 49.7 221 218 A Q < - 0 0 97 -5,-2.0 2,-1.4 -6,-0.2 -1,-0.2 -0.237 53.9-110.4 -60.2 149.7 4.8 48.5 46.6 222 219 A D - 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0 0 15 -2,-0.3 4,-2.1 25,-0.1 5,-0.2 -0.950 51.1-103.1-154.9 159.3 27.1 98.3 64.7 537 209 B E H > S+ 0 0 141 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.869 121.4 50.2 -59.9 -35.4 29.8 100.4 63.1 538 210 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 108.3 49.9 -69.2 -45.0 29.9 98.0 60.1 539 211 B K H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.929 109.5 53.0 -61.5 -46.3 26.1 98.0 59.5 540 212 B Q H X S+ 0 0 104 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.910 111.9 44.0 -52.5 -49.9 26.0 101.8 59.6 541 213 B A H <>S+ 0 0 13 -4,-1.7 5,-2.7 2,-0.2 4,-0.2 0.871 114.8 48.6 -68.3 -40.5 28.8 102.1 56.9 542 214 B I H ><5S+ 0 0 3 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.966 112.8 48.3 -57.9 -51.2 27.3 99.4 54.7 543 215 B D H 3<5S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.795 106.2 58.7 -64.1 -30.0 23.8 101.0 55.0 544 216 B D T 3<5S- 0 0 117 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.450 123.6-102.1 -72.7 -9.9 25.4 104.4 54.1 545 217 B G T < 5 + 0 0 40 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.606 66.1 156.9 96.6 12.5 26.7 103.0 50.8 546 218 B Q < - 0 0 104 -5,-2.7 2,-1.2 -6,-0.1 -1,-0.3 -0.498 43.0-139.8 -75.5 138.3 30.3 102.5 51.7 547 219 B D - 0 0 121 -2,-0.2 -1,-0.1 -25,-0.0 -5,-0.1 -0.553 33.3-170.4 -92.4 67.1 32.4 100.0 49.7 548 220 B V - 0 0 14 -2,-1.2 -26,-0.1 1,-0.1 -27,-0.0 -0.318 23.7-110.0 -62.0 135.6 34.1 98.8 52.8 549 221 B S > - 0 0 45 1,-0.1 4,-1.8 -28,-0.1 -1,-0.1 -0.212 18.1-119.4 -64.9 157.6 37.1 96.5 52.1 550 222 B S H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 116.5 58.5 -60.7 -39.8 36.9 92.7 53.0 551 223 B K H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.934 106.6 45.5 -52.4 -55.0 39.8 93.3 55.3 552 224 B D H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 111.3 54.1 -57.9 -39.7 37.8 96.0 57.3 553 225 B V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.932 112.6 42.4 -61.7 -48.9 34.8 93.6 57.3 554 226 B F H X S+ 0 0 3 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.892 111.0 56.6 -62.4 -41.4 36.9 90.8 58.8 555 227 B E H X S+ 0 0 102 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.885 106.4 49.3 -61.3 -40.2 38.6 93.3 61.2 556 228 B F H <>S+ 0 0 45 -4,-2.3 5,-2.8 2,-0.2 -1,-0.2 0.901 112.8 50.3 -61.2 -39.7 35.1 94.3 62.6 557 229 B A H ><5S+ 0 0 1 -4,-1.6 3,-2.2 7,-0.2 -2,-0.2 0.968 111.1 45.1 -63.7 -54.3 34.4 90.6 63.0 558 230 B E H 3<5S+ 0 0 125 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.928 110.6 55.8 -54.3 -47.1 37.6 89.8 64.8 559 231 B K T 3<5S- 0 0 154 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.410 128.4 -98.0 -67.9 -2.2 37.1 92.9 67.0 560 232 B G T < 5 + 0 0 36 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.514 63.5 159.2 101.4 7.0 33.6 91.5 68.0 561 233 B D >< - 0 0 20 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.511 32.8-150.3 -68.6 111.4 31.1 93.3 65.8 562 234 B H H > S+ 0 0 137 -2,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.791 95.5 48.3 -59.9 -28.8 28.0 91.1 65.8 563 235 B F H >> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.953 109.2 50.4 -76.2 -50.8 27.1 92.2 62.3 564 236 B A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -7,-0.2 0.809 109.2 55.0 -49.4 -31.8 30.5 91.7 60.8 565 237 B L H 3X S+ 0 0 51 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.806 105.6 50.1 -76.8 -32.4 30.4 88.2 62.4 566 238 B X H S+ 0 0 8 -4,-1.5 4,-2.6 2,-0.2 5,-0.6 0.869 110.3 47.4 -61.9 -40.7 36.9 70.7 45.6 583 255 B G H X5S+ 0 0 0 -4,-2.1 4,-2.2 3,-0.2 -2,-0.2 0.947 110.8 51.1 -64.8 -45.4 38.4 68.7 48.4 584 256 B N H <5S+ 0 0 0 -4,-3.1 -418,-0.5 1,-0.2 -1,-0.2 0.799 120.7 34.2 -58.0 -33.1 35.7 66.0 47.9 585 257 B T H <5S+ 0 0 8 -4,-1.4 -420,-3.5 -5,-0.2 -1,-0.2 0.798 135.2 20.3 -92.2 -36.5 36.5 65.7 44.2 586 258 B L H <5S- 0 0 5 -4,-2.6 -422,-0.3 -422,-0.3 -3,-0.2 0.599 76.1-153.6-115.2 -22.9 40.3 66.4 44.1 587 259 B N << - 0 0 0 -4,-2.2 -427,-2.8 -5,-0.6 -426,-0.4 0.870 25.3-172.2 48.7 50.7 41.6 65.7 47.6 588 260 B P - 0 0 3 0, 0.0 -126,-0.2 0, 0.0 37,-0.2 -0.200 36.9-116.5 -73.8 164.0 44.6 68.1 47.2 589 261 B D S S- 0 0 15 -128,-3.0 36,-2.1 1,-0.3 2,-0.3 0.931 96.6 -1.7 -64.7 -36.8 47.3 68.3 49.9 590 262 B S E -uw 462 625I 0 -129,-1.0 -127,-2.7 34,-0.2 2,-0.5 -0.997 53.3-141.8-150.0 152.6 46.1 71.8 50.4 591 263 B V E -uw 463 626I 0 34,-2.3 36,-2.9 -2,-0.3 2,-0.5 -0.988 30.9-155.6-103.0 116.8 43.7 74.6 49.3 592 264 B V E -uw 464 627I 0 -129,-3.8 -127,-2.8 -2,-0.5 2,-0.6 -0.883 1.3-152.5-100.5 122.6 45.7 77.9 49.5 593 265 B I E +uw 465 628I 2 34,-2.7 36,-2.6 -2,-0.5 -127,-0.2 -0.841 28.8 155.3 -96.3 121.8 43.7 81.1 49.9 594 266 B G E +u 466 0I 0 -129,-3.2 -127,-2.6 -2,-0.6 3,-0.2 -0.624 17.6 78.8-130.5-172.3 45.4 84.2 48.5 595 267 B G S > S- 0 0 32 -129,-0.3 3,-1.3 -2,-0.2 4,-0.3 -0.278 94.5 -49.2 94.7 178.1 44.5 87.7 47.1 596 268 B G G > S+ 0 0 36 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.847 130.9 58.1 -56.3 -44.3 43.7 90.9 49.0 597 269 B V G > S+ 0 0 6 -130,-1.4 3,-2.2 1,-0.3 -1,-0.3 0.795 91.9 72.4 -56.0 -27.7 41.1 89.4 51.4 598 270 B S G X S+ 0 0 22 -3,-1.3 3,-2.0 -131,-0.4 -1,-0.3 0.629 74.3 79.5 -74.1 -13.8 43.7 86.9 52.7 599 271 B A G < S+ 0 0 67 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.772 74.9 79.9 -53.8 -29.0 45.5 89.7 54.6 600 272 B A G X S- 0 0 19 -3,-2.2 3,-0.8 -4,-0.3 -1,-0.3 0.765 86.8-176.4 -56.2 -27.6 42.6 89.1 57.0 601 273 B G T X> + 0 0 15 -3,-2.0 4,-2.2 1,-0.2 3,-0.8 -0.303 44.8 3.3 79.8-143.8 44.7 86.2 58.1 602 274 B E H 3> S+ 0 0 105 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.760 122.5 61.6 -61.2 -30.5 44.0 83.5 60.6 603 275 B F H <> S+ 0 0 21 -3,-0.8 4,-1.2 1,-0.2 -1,-0.3 0.897 111.4 40.1 -66.9 -41.0 40.4 84.7 61.4 604 276 B L H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.912 113.8 53.0 -67.7 -46.8 39.4 84.1 57.8 605 277 B R H X S+ 0 0 36 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.932 108.6 52.6 -57.4 -40.8 41.4 80.8 57.4 606 278 B S H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.888 109.6 45.4 -60.8 -45.1 39.7 79.5 60.5 607 279 B R H X S+ 0 0 86 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.852 114.1 49.5 -76.5 -31.6 36.1 80.1 59.3 608 280 B V H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 3,-0.4 0.975 112.2 48.0 -64.7 -51.9 36.8 78.7 55.9 609 281 B E H X S+ 0 0 69 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.885 107.0 58.6 -55.6 -41.6 38.4 75.6 57.5 610 282 B K H X S+ 0 0 135 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.897 112.8 36.5 -58.2 -45.0 35.4 75.2 59.8 611 283 B Y H X S+ 0 0 38 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.859 111.7 59.5 -77.4 -38.6 32.8 75.0 57.0 612 284 B F H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.899 104.8 52.9 -45.9 -48.6 35.2 73.0 54.7 613 285 B Q H >< S+ 0 0 49 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.884 107.7 50.2 -57.1 -44.5 35.2 70.5 57.6 614 286 B E H 3< S+ 0 0 68 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 114.2 45.2 -57.0 -44.7 31.3 70.3 57.6 615 287 B F T 3< S+ 0 0 4 -4,-2.1 2,-0.3 -39,-0.1 -444,-0.3 0.385 98.9 82.5 -90.9 6.3 31.2 69.8 53.9 616 288 B T S < S- 0 0 3 -3,-0.8 -35,-0.1 -4,-0.5 -446,-0.1 -0.820 75.5-115.6-116.9 147.7 33.9 67.1 53.4 617 289 B F >> - 0 0 6 -2,-0.3 4,-2.5 -448,-0.2 3,-1.1 -0.392 41.7-100.0 -75.2 154.4 33.8 63.3 53.8 618 290 B P H 3> S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.851 119.7 52.7 -46.2 -46.8 36.1 61.9 56.5 619 291 B Q H 34 S+ 0 0 113 1,-0.2 5,-0.2 2,-0.2 -456,-0.1 0.850 116.3 42.2 -61.9 -30.5 39.0 60.8 54.4 620 292 B V H X> S+ 0 0 0 -3,-1.1 4,-2.1 1,-0.2 3,-1.4 0.882 110.8 56.1 -80.8 -40.0 39.2 64.3 52.9 621 293 B R H 3< S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.826 109.2 46.7 -54.0 -39.4 38.6 66.0 56.3 622 294 B N T 3< S+ 0 0 133 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.293 124.8 28.9 -95.1 6.4 41.6 64.3 57.8 623 295 B S T <4 S+ 0 0 25 -3,-1.4 2,-0.2 1,-0.2 -2,-0.2 0.652 95.3 77.2-130.7 -51.7 43.9 65.0 54.9 624 296 B T < - 0 0 4 -4,-2.1 2,-0.4 -5,-0.2 -34,-0.2 -0.456 66.4-150.1 -72.5 127.8 43.3 68.2 52.9 625 297 B K E -w 590 0I 105 -36,-2.1 -34,-2.3 -2,-0.2 2,-0.7 -0.835 10.1-135.5-105.9 141.5 44.5 71.3 54.7 626 298 B I E +w 591 0I 7 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.849 37.7 175.5 -94.0 115.3 43.1 74.9 54.5 627 299 B K E -w 592 0I 33 -36,-2.9 -34,-2.7 -2,-0.7 2,-0.3 -0.763 30.2-124.3-120.2 157.8 46.1 77.3 54.2 628 300 B L E -w 593 0I 44 -2,-0.3 -34,-0.2 -36,-0.2 -173,-0.1 -0.769 40.3-101.6 -93.4 148.6 46.8 81.0 53.7 629 301 B A - 0 0 19 -36,-2.6 -1,-0.0 -2,-0.3 -179,-0.0 -0.444 28.4-162.0 -65.3 145.7 49.0 82.2 50.7 630 302 B E S S+ 0 0 128 1,-0.1 -1,-0.1 2,-0.1 -176,-0.0 0.688 77.2 56.9-101.4 -16.6 52.6 83.0 51.8 631 303 B L S > S- 0 0 37 1,-0.2 3,-1.6 2,-0.0 4,-0.1 0.491 78.4-159.4 -97.8 -6.0 53.9 85.1 48.9 632 304 B G G > S- 0 0 56 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 -0.259 70.4 -17.6 56.4-141.3 51.3 88.0 48.7 633 305 B N G 3 S+ 0 0 110 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.496 126.7 75.8 -80.7 -2.7 51.3 89.7 45.3 634 306 B E G <> S+ 0 0 60 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.630 71.8 85.6 -75.7 -15.1 54.7 88.3 44.3 635 307 B A H <> S+ 0 0 3 -3,-1.5 4,-3.2 1,-0.2 5,-0.3 0.867 85.1 56.7 -55.1 -35.7 53.2 84.8 43.6 636 308 B G H > S+ 0 0 6 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.936 110.4 39.5 -59.1 -52.3 52.3 85.9 40.1 637 309 B V H > S+ 0 0 7 -4,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.864 118.4 50.4 -67.7 -37.4 55.8 86.9 38.9 638 310 B I H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.938 114.5 42.3 -64.8 -52.4 57.3 83.8 40.8 639 311 B G H X S+ 0 0 0 -4,-3.2 4,-1.0 -5,-0.2 -2,-0.2 0.892 114.5 51.6 -62.6 -42.9 54.8 81.3 39.2 640 312 B A H >X S+ 0 0 0 -4,-2.6 3,-1.0 -5,-0.3 4,-0.5 0.942 107.6 52.7 -59.3 -51.1 55.2 83.0 35.8 641 313 B A H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.4 0.866 100.4 62.9 -46.4 -46.0 58.9 82.7 36.0 642 314 B S H >< S+ 0 0 21 -4,-1.8 3,-1.3 1,-0.3 4,-0.3 0.790 91.6 64.4 -57.7 -31.3 58.6 79.0 36.8 643 315 B L H X< S+ 0 0 23 -3,-1.0 3,-1.1 -4,-1.0 -1,-0.3 0.789 92.6 65.3 -59.5 -26.4 57.0 78.3 33.4 644 316 B A G X< S+ 0 0 0 -3,-1.9 3,-2.0 -4,-0.5 -1,-0.2 0.758 82.3 77.4 -70.2 -20.4 60.4 79.5 32.0 645 317 B L G X S+ 0 0 56 -3,-1.3 3,-1.6 -4,-0.4 -1,-0.2 0.689 74.7 75.4 -64.8 -18.1 62.1 76.4 33.5 646 318 B Q G < S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.716 92.5 57.9 -63.8 -18.7 60.7 74.1 30.8 647 319 B F G < S+ 0 0 64 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.382 76.1 125.6 -91.4 0.7 63.4 75.7 28.6 648 320 B S S < S- 0 0 57 -3,-1.6 2,-0.2 1,-0.1 -3,-0.0 -0.255 70.9-108.1 -62.3 146.6 66.5 74.8 30.6 649 321 B K 0 0 203 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.532 360.0 360.0 -64.1 132.1 69.4 73.0 28.9 650 322 B E 0 0 232 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.077 360.0 360.0 -99.2 360.0 69.1 69.5 30.4 651 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 652 -2 C S 0 0 111 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 105.2 28.6 133.2 19.3 653 -1 C N > - 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0 0 20 -3,-2.3 4,-2.4 1,-0.2 3,-0.8 -0.262 47.9 -3.3 72.7-143.6 17.4 83.9 -16.6 1253 274 D E H 3> S+ 0 0 107 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.778 125.4 64.5 -63.8 -29.4 16.7 86.6 -19.1 1254 275 D F H <> S+ 0 0 29 -3,-0.8 4,-0.7 2,-0.2 -1,-0.3 0.883 112.4 37.3 -59.7 -39.5 13.3 85.0 -20.1 1255 276 D L H X> S+ 0 0 1 -3,-0.8 4,-2.2 -4,-0.3 3,-0.6 0.964 116.3 50.5 -71.8 -57.5 12.2 85.7 -16.5 1256 277 D R H 3X S+ 0 0 39 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.898 109.4 50.5 -50.2 -51.0 13.9 89.1 -16.0 1257 278 D S H 3X S+ 0 0 41 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.818 110.8 48.6 -60.5 -37.8 12.5 90.7 -19.2 1258 279 D R H < S+ 0 0 50 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.883 107.7 50.8 -61.6 -38.0 7.3 99.3 -16.5 1265 286 D E H 3< S+ 0 0 90 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 113.8 43.4 -69.2 -28.5 3.5 99.2 -16.7 1266 287 D F T 3< S+ 0 0 4 -4,-1.6 2,-0.4 -3,-0.1 -444,-0.3 0.361 99.5 84.8-100.3 4.6 3.1 99.8 -12.9 1267 288 D T S < S- 0 0 3 -3,-0.7 -35,-0.1 -4,-0.5 -446,-0.1 -0.874 76.2-118.9-112.1 145.2 5.6 102.5 -12.4 1268 289 D F >> - 0 0 11 -2,-0.4 4,-2.7 -448,-0.2 3,-0.8 -0.401 42.7 -98.7 -74.0 155.5 5.4 106.3 -12.8 1269 290 D P H 3> S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.813 120.0 52.4 -46.3 -49.6 7.8 107.7 -15.4 1270 291 D Q H 34 S+ 0 0 117 1,-0.2 5,-0.2 2,-0.2 -456,-0.1 0.864 116.6 42.4 -60.8 -39.7 10.6 109.0 -13.1 1271 292 D V H X> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 3,-1.6 0.921 112.6 51.9 -68.9 -47.2 10.7 105.5 -11.5 1272 293 D R H 3< S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.817 111.4 47.6 -66.0 -24.6 10.5 103.5 -14.8 1273 294 D N T 3< S+ 0 0 127 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.391 124.9 30.6 -94.9 3.2 13.3 105.6 -16.3 1274 295 D S T <4 S+ 0 0 23 -3,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.637 98.1 76.3-120.0 -56.6 15.5 105.1 -13.2 1275 296 D T < - 0 0 3 -4,-1.9 2,-0.3 -5,-0.2 -34,-0.2 -0.416 65.3-152.0 -70.0 132.4 14.9 101.8 -11.3 1276 297 D K E -w 1241 0U 98 -36,-2.0 -34,-2.8 -37,-0.2 2,-0.6 -0.814 9.9-137.5-107.7 138.1 16.4 98.7 -13.0 1277 298 D I E -w 1242 0U 3 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.898 34.8-179.9 -98.0 122.0 15.2 95.1 -12.8 1278 299 D K E -w 1243 0U 40 -36,-3.5 -34,-3.6 -2,-0.6 2,-0.4 -0.845 28.2-127.5-124.4 150.4 18.2 92.8 -12.3 1279 300 D L E -w 1244 0U 38 -2,-0.3 -34,-0.2 -36,-0.2 -173,-0.1 -0.834 40.6-103.6 -92.4 137.6 19.0 89.0 -11.9 1280 301 D A - 0 0 21 -36,-2.8 -1,-0.1 -2,-0.4 -36,-0.0 -0.202 28.3-161.3 -50.7 148.8 21.1 88.0 -9.0 1281 302 D E S S+ 0 0 116 2,-0.1 -1,-0.1 1,-0.1 -36,-0.0 0.603 76.6 59.9-112.4 -20.6 24.7 87.1 -9.9 1282 303 D L S > S- 0 0 38 1,-0.2 3,-1.8 2,-0.0 4,-0.2 0.410 79.8-158.1 -94.4 4.5 26.0 85.1 -7.0 1283 304 D G G > - 0 0 55 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 -0.075 69.8 -17.5 41.7-150.6 23.5 82.1 -7.0 1284 305 D N G 3 S+ 0 0 109 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.412 127.3 78.1 -68.1 7.3 23.3 80.3 -3.7 1285 306 D E G <> + 0 0 57 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.617 68.5 85.7 -86.1 -17.0 26.6 81.8 -2.5 1286 307 D A H <> S+ 0 0 5 -3,-2.0 4,-2.7 2,-0.2 -186,-0.3 0.831 85.1 55.7 -47.3 -42.7 24.9 85.3 -1.7 1287 308 D G H > S+ 0 0 5 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.976 111.7 39.6 -61.7 -53.6 23.9 84.1 1.9 1288 309 D V H > S+ 0 0 6 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.885 117.9 50.0 -69.0 -39.7 27.3 83.1 3.1 1289 310 D I H X S+ 0 0 7 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.923 116.2 40.7 -61.6 -50.4 29.0 86.1 1.3 1290 311 D G H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.828 113.3 55.0 -67.6 -33.1 26.6 88.6 2.8 1291 312 D A H >X S+ 0 0 0 -4,-2.8 3,-1.2 -5,-0.3 4,-0.6 0.962 106.6 51.0 -67.5 -45.3 26.6 86.9 6.2 1292 313 D A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.841 98.9 65.9 -58.8 -31.6 30.4 87.2 6.3 1293 314 D S H >< S+ 0 0 24 -4,-1.3 3,-1.4 1,-0.3 4,-0.3 0.818 89.8 66.8 -60.6 -28.8 30.0 90.9 5.5 1294 315 D L H X< S+ 0 0 22 -3,-1.2 3,-1.3 -4,-0.9 -1,-0.3 0.843 91.9 62.4 -55.0 -38.5 28.4 91.3 8.9 1295 316 D A G X< S+ 0 0 0 -3,-1.2 3,-2.0 -4,-0.6 -1,-0.3 0.677 83.4 78.6 -61.3 -20.8 31.8 90.4 10.4 1296 317 D L G X S+ 0 0 51 -3,-1.4 3,-1.4 -4,-0.4 -1,-0.2 0.729 74.8 73.5 -68.2 -20.0 33.4 93.5 8.9 1297 318 D Q G < S+ 0 0 134 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 0.695 95.3 56.5 -61.3 -13.7 31.9 95.7 11.7 1298 319 D F G < S+ 0 0 58 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.549 80.0 126.3 -98.4 -7.7 34.6 94.0 13.8 1299 320 D S < 0 0 45 -3,-1.4 -3,-0.0 -4,-0.2 -254,-0.0 -0.065 360.0 360.0 -47.4 144.0 37.6 95.0 11.7 1300 321 D K 0 0 228 -933,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.700 360.0 360.0 88.9 360.0 40.6 96.8 13.2