==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-JAN-12 3VCR . COMPND 2 MOLECULE: PUTATIVE KDPG (2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE) . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR P.J.STOGIOS,O.KAGAN,R.DI LEO,V.YIM,A.JOACHIMIAK,A.M.EDWARDS, . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 2 4 0 0 4 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.5 10.1 16.3 179.0 2 2 A T > - 0 0 49 1,-0.1 4,-2.1 111,-0.0 5,-0.1 -0.344 360.0-102.4 -82.0 168.4 11.9 19.3 180.3 3 3 A Q H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.891 126.9 52.8 -51.4 -44.0 10.5 22.9 180.5 4 4 A L H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 106.5 51.5 -62.9 -45.2 12.6 23.6 177.4 5 5 A D H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 108.9 51.8 -53.7 -43.4 11.1 20.6 175.5 6 6 A T H < S+ 0 0 60 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.927 111.7 45.5 -66.5 -42.5 7.6 22.0 176.4 7 7 A W H >< S+ 0 0 31 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.902 112.1 51.9 -61.0 -45.1 8.4 25.4 175.1 8 8 A L H >< S+ 0 0 24 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.792 100.2 62.0 -69.0 -24.7 9.9 24.0 171.9 9 9 A A T 3< S+ 0 0 68 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.602 110.9 42.3 -70.6 -7.6 6.8 21.9 171.3 10 10 A N T < S+ 0 0 128 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.235 117.6 33.4-126.7 10.1 4.9 25.2 171.0 11 11 A T S < S- 0 0 23 -3,-0.8 27,-0.2 -4,-0.2 26,-0.0 -0.896 94.0 -67.9-149.9-179.5 7.2 27.4 169.0 12 12 A K - 0 0 24 25,-1.3 2,-0.5 -2,-0.3 28,-0.3 -0.470 44.6-117.9 -76.0 148.0 9.8 27.3 166.2 13 13 A P S S+ 0 0 3 0, 0.0 171,-1.8 0, 0.0 2,-0.5 0.061 84.7 96.9 -74.6 25.2 13.2 25.5 166.8 14 14 A L E -a 184 0A 0 -2,-0.5 26,-0.3 169,-0.2 171,-0.2 -0.976 55.9-160.7-128.2 119.8 15.2 28.7 166.3 15 15 A I E -a 185 0A 0 169,-3.3 171,-2.1 -2,-0.5 2,-0.2 -0.892 19.4-134.2-101.7 109.9 16.4 30.9 169.2 16 16 A P E -a 186 0A 0 0, 0.0 26,-1.9 0, 0.0 2,-0.9 -0.507 8.6-145.0 -63.7 128.7 17.3 34.5 168.1 17 17 A V E -c 42 0B 7 169,-2.0 2,-0.4 -2,-0.2 26,-0.2 -0.872 28.6-153.3 -95.9 103.4 20.6 35.5 169.7 18 18 A I E -c 43 0B 0 24,-3.2 26,-2.3 -2,-0.9 2,-0.6 -0.647 26.4-176.0 -98.7 126.3 19.8 39.2 170.2 19 19 A V + 0 0 63 -2,-0.4 2,-0.5 171,-0.4 26,-0.1 -0.961 19.9 178.7-116.1 106.1 22.2 42.1 170.3 20 20 A I - 0 0 0 -2,-0.6 29,-0.3 24,-0.4 33,-0.1 -0.930 21.1-179.7-119.3 113.8 20.2 45.2 171.1 21 21 A D S S+ 0 0 97 -2,-0.5 2,-0.6 1,-0.2 28,-0.2 0.891 71.0 51.7 -74.6 -41.5 21.6 48.7 171.6 22 22 A D > - 0 0 78 1,-0.1 3,-1.7 26,-0.1 4,-0.5 -0.879 64.6-149.8-112.3 122.1 18.4 50.6 172.3 23 23 A L G > S+ 0 0 81 -2,-0.6 3,-1.7 1,-0.3 4,-0.4 0.828 96.2 65.5 -46.3 -41.2 15.8 49.7 174.9 24 24 A V G 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.780 95.8 58.5 -61.8 -25.8 13.0 51.3 172.8 25 25 A H G <> S+ 0 0 32 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.675 85.2 84.7 -75.1 -14.4 13.5 48.6 170.1 26 26 A A H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.5 5,-0.2 0.892 90.1 40.8 -58.2 -54.4 12.9 45.7 172.5 27 27 A I H > S+ 0 0 57 -4,-0.4 4,-2.7 -3,-0.3 5,-0.3 0.960 117.7 45.3 -64.5 -52.2 9.1 45.4 172.4 28 28 A P H > S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.922 114.0 51.2 -61.8 -39.2 8.6 46.0 168.7 29 29 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.949 113.1 44.5 -52.8 -53.9 11.4 43.6 167.9 30 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.866 112.5 51.4 -63.4 -36.5 9.9 40.9 170.1 31 31 A K H X S+ 0 0 116 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.923 109.8 50.6 -67.9 -39.8 6.4 41.5 168.7 32 32 A A H X S+ 0 0 6 -4,-2.7 4,-0.9 -5,-0.3 -2,-0.2 0.896 110.8 50.0 -61.3 -42.6 7.8 41.2 165.1 33 33 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.9 0.954 112.0 44.7 -65.1 -50.2 9.5 37.9 166.1 34 34 A V H ><5S+ 0 0 17 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.866 105.5 62.4 -61.4 -35.4 6.3 36.3 167.7 35 35 A A H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.6 47.7 -58.4 -30.1 4.3 37.5 164.7 36 36 A G T <<5S- 0 0 6 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.260 128.0-101.0 -91.6 9.7 6.6 35.2 162.6 37 37 A G T < 5S+ 0 0 20 -3,-2.2 -25,-1.3 1,-0.2 2,-0.6 0.689 83.5 126.8 82.7 22.9 6.1 32.3 165.0 38 38 A V < + 0 0 0 -5,-2.2 -1,-0.2 -27,-0.2 -2,-0.2 -0.955 20.6 157.4-119.4 110.8 9.4 32.7 166.9 39 39 A H + 0 0 45 -2,-0.6 26,-4.6 -27,-0.2 2,-0.9 0.606 44.4 85.6-113.4 -21.6 8.9 32.9 170.7 40 40 A L E - d 0 65B 2 -26,-0.3 2,-0.7 -28,-0.3 26,-0.2 -0.793 60.8-173.9 -90.7 101.8 12.2 31.9 172.5 41 41 A L E - d 0 66B 0 24,-2.9 26,-3.6 -2,-0.9 2,-0.9 -0.860 15.7-163.3-112.3 115.3 14.1 35.1 172.6 42 42 A E E -cd 17 67B 6 -26,-1.9 -24,-3.2 -2,-0.7 2,-0.8 -0.824 5.8-167.8 -97.7 105.3 17.7 35.2 173.9 43 43 A V E -cd 18 68B 0 24,-2.7 26,-1.8 -2,-0.9 -24,-0.1 -0.825 19.0-141.0 -91.4 112.1 18.6 38.8 174.7 44 44 A T E > - d 0 69B 0 -26,-2.3 3,-0.5 -2,-0.8 -24,-0.4 -0.428 11.6-130.7 -73.6 148.4 22.4 38.8 175.3 45 45 A L T 3 S+ 0 0 37 24,-2.5 -1,-0.1 1,-0.2 25,-0.1 -0.160 77.9 112.3 -84.4 38.1 24.0 40.9 178.0 46 46 A R T 3 S+ 0 0 136 -28,-0.3 2,-0.3 4,-0.0 -1,-0.2 0.493 74.5 45.7 -90.4 -7.8 26.5 42.2 175.4 47 47 A T S X S- 0 0 28 -3,-0.5 3,-1.0 -27,-0.1 4,-0.4 -0.920 87.0-116.7-126.4 162.4 25.0 45.7 175.5 48 48 A E T 3 S+ 0 0 200 -2,-0.3 4,-0.5 1,-0.2 3,-0.3 0.804 115.0 58.3 -63.9 -29.4 23.9 48.0 178.4 49 49 A A T 3> S+ 0 0 14 -29,-0.3 4,-2.7 -28,-0.2 -1,-0.2 0.627 82.3 94.4 -78.2 -6.4 20.3 47.9 177.2 50 50 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.907 85.2 40.7 -52.7 -57.9 20.2 44.0 177.5 51 51 A L H > S+ 0 0 55 -4,-0.4 4,-1.8 -3,-0.3 3,-0.3 0.955 116.3 49.5 -59.6 -49.8 18.8 43.6 181.0 52 52 A A H > S+ 0 0 45 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.868 107.6 56.3 -58.7 -40.3 16.2 46.4 180.5 53 53 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.864 104.5 52.2 -55.2 -44.9 15.2 44.9 177.2 54 54 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -3,-0.3 -2,-0.2 0.941 111.3 46.2 -53.4 -57.6 14.4 41.6 178.9 55 55 A S H X S+ 0 0 51 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.916 112.6 50.8 -52.9 -49.7 12.2 43.3 181.6 56 56 A A H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.893 114.2 43.0 -54.8 -45.3 10.4 45.3 178.9 57 57 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 7,-0.3 0.885 111.1 56.1 -69.9 -39.6 9.6 42.3 176.7 58 58 A K H < S+ 0 0 84 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.924 116.1 36.2 -57.9 -47.5 8.6 40.2 179.8 59 59 A K H < S+ 0 0 185 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.947 127.0 34.1 -70.5 -49.9 6.0 42.8 180.7 60 60 A A H < S+ 0 0 41 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.652 120.4 42.4 -90.7 -18.3 4.8 43.9 177.4 61 61 A V >< + 0 0 2 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.2 -0.632 59.7 169.0-130.7 69.3 5.0 40.7 175.2 62 62 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.739 75.2 62.9 -59.8 -24.5 3.7 37.8 177.5 63 63 A E T 3 S+ 0 0 108 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.672 88.4 83.0 -73.8 -18.3 3.6 35.5 174.5 64 64 A A S < S- 0 0 1 -3,-2.1 2,-0.8 -7,-0.3 -24,-0.2 -0.594 76.5-138.4 -78.6 149.4 7.4 35.7 174.0 65 65 A I E -d 40 0B 29 -26,-4.6 -24,-2.9 -2,-0.2 2,-0.5 -0.928 31.3-160.4-104.5 101.5 9.6 33.4 176.2 66 66 A V E +d 41 0B 0 -2,-0.8 20,-3.2 -26,-0.2 21,-0.4 -0.779 17.2 166.4 -99.8 129.7 12.3 35.8 177.0 67 67 A G E -d 42 0B 0 -26,-3.6 -24,-2.7 -2,-0.5 2,-0.4 -0.667 30.2-114.0-127.2 177.4 15.8 34.9 178.2 68 68 A A E -de 43 88B 0 19,-2.0 21,-2.9 -26,-0.2 -24,-0.3 -0.910 25.9-171.0-116.4 140.8 19.3 36.2 178.7 69 69 A G E +d 44 0B 0 -26,-1.8 -24,-2.5 -2,-0.4 21,-0.2 -0.815 63.3 45.7-124.7 175.4 22.4 35.1 176.9 70 70 A T + 0 0 30 -2,-0.3 2,-0.8 1,-0.3 20,-0.2 0.851 67.8 163.3 55.6 35.3 26.1 35.8 177.4 71 71 A V + 0 0 0 18,-2.1 -1,-0.3 -3,-0.2 3,-0.1 -0.788 1.4 161.2 -79.0 111.3 25.6 35.1 181.1 72 72 A C + 0 0 60 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.682 51.8 36.8-107.5 -25.4 29.3 34.6 182.2 73 73 A T S > S- 0 0 54 1,-0.1 4,-2.3 23,-0.1 5,-0.1 -0.810 81.7-107.2-128.9 167.8 29.2 35.1 186.0 74 74 A A H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.876 122.1 53.2 -61.1 -41.4 27.0 34.3 189.0 75 75 A D H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 107.9 49.5 -60.6 -43.9 26.3 38.1 189.2 76 76 A D H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 111.1 52.9 -54.9 -43.0 25.2 38.1 185.5 77 77 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.930 110.8 44.3 -61.5 -48.1 23.0 35.0 186.4 78 78 A Q H X S+ 0 0 54 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 112.0 52.5 -63.9 -42.5 21.3 36.8 189.3 79 79 A K H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.870 106.7 53.6 -64.8 -37.8 20.7 40.1 187.3 80 80 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-1.0 0.928 109.3 48.6 -58.6 -44.1 19.1 38.1 184.5 81 81 A I H ><5S+ 0 0 33 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.911 111.6 49.2 -65.4 -40.6 16.7 36.5 187.1 82 82 A D H 3<5S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.2 55.6 -66.6 -34.5 16.0 40.0 188.5 83 83 A A H 3<5S- 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.689 125.0-103.7 -70.0 -18.8 15.3 41.4 185.0 84 84 A G T <<5 + 0 0 15 -4,-1.0 -3,-0.2 -3,-0.6 -18,-0.2 0.501 56.1 172.0 105.8 10.4 12.7 38.6 184.5 85 85 A A < - 0 0 2 -5,-2.2 -18,-0.3 -6,-0.2 -1,-0.2 -0.202 22.4-162.2 -48.8 133.1 14.6 36.1 182.3 86 86 A Q S S+ 0 0 45 -20,-3.2 27,-1.5 1,-0.2 2,-0.3 0.548 77.9 17.2 -93.8 -17.3 12.7 32.8 181.8 87 87 A F E - f 0 113B 4 -21,-0.4 -19,-2.0 25,-0.2 2,-0.4 -0.976 69.4-144.4-152.1 157.4 15.9 31.1 180.6 88 88 A I E -ef 68 114B 0 25,-3.0 27,-3.4 -2,-0.3 2,-0.5 -0.996 9.6-166.8-133.4 127.6 19.7 31.7 180.8 89 89 A V E - f 0 115B 6 -21,-2.9 -18,-2.1 -2,-0.4 -19,-0.2 -0.956 4.9-173.6-115.8 132.8 22.3 30.9 178.2 90 90 A S E - f 0 116B 1 25,-1.5 27,-1.2 -2,-0.5 46,-0.2 -0.916 27.9-133.4-123.8 151.0 26.0 31.0 178.9 91 91 A P S S- 0 0 51 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.669 89.3 -5.4 -78.5 -10.8 28.8 30.5 176.3 92 92 A G S S- 0 0 27 45,-0.1 25,-0.6 27,-0.0 2,-0.4 -0.851 77.4-110.6-162.7-175.5 30.7 28.1 178.5 93 93 A L - 0 0 42 -2,-0.3 -21,-0.0 23,-0.2 34,-0.0 -0.996 25.9-178.5-139.6 138.8 30.4 26.7 182.0 94 94 A T > - 0 0 60 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.842 43.5-105.6-128.1 164.5 32.5 27.3 185.1 95 95 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.859 122.2 56.0 -55.4 -38.7 32.3 25.9 188.7 96 96 A E H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 108.9 45.8 -62.3 -41.2 31.0 29.4 189.8 97 97 A L H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 112.6 50.9 -67.3 -38.3 28.1 29.1 187.2 98 98 A I H X S+ 0 0 24 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.947 112.5 46.8 -61.3 -47.7 27.3 25.5 188.3 99 99 A E H X S+ 0 0 117 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.930 112.1 49.3 -59.5 -50.8 27.2 26.5 191.9 100 100 A K H X S+ 0 0 45 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.927 111.9 48.8 -54.9 -49.1 25.0 29.6 191.2 101 101 A A H X S+ 0 0 17 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.893 111.6 48.7 -62.3 -43.6 22.5 27.5 189.2 102 102 A K H X S+ 0 0 103 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.966 111.6 51.5 -54.6 -51.0 22.3 24.8 191.9 103 103 A Q H X S+ 0 0 77 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.857 110.2 45.7 -62.0 -42.9 21.8 27.4 194.5 104 104 A V H X S+ 0 0 12 -4,-2.6 4,-1.1 2,-0.2 6,-0.6 0.879 114.1 49.9 -70.7 -30.6 18.9 29.2 192.7 105 105 A K H < S+ 0 0 173 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 111.0 50.6 -69.2 -36.5 17.3 25.8 192.0 106 106 A L H < S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 107.9 51.3 -64.5 -41.5 17.7 24.9 195.7 107 107 A D H < S- 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.717 99.6-147.2 -68.9 -25.1 16.1 28.2 196.8 108 108 A G < + 0 0 37 -4,-1.1 -3,-0.1 2,-0.2 3,-0.1 0.472 66.2 107.8 76.9 5.4 13.2 27.3 194.5 109 109 A Q S S+ 0 0 174 -5,-0.5 2,-0.7 1,-0.2 -4,-0.1 0.884 73.8 51.0 -84.0 -42.7 12.3 30.9 193.5 110 110 A W + 0 0 35 -6,-0.6 -2,-0.2 1,-0.1 -1,-0.2 -0.886 59.7 174.5 -97.8 112.7 13.6 30.9 189.9 111 111 A Q + 0 0 169 -2,-0.7 -1,-0.1 -3,-0.1 -6,-0.1 -0.178 37.2 124.6-108.1 38.6 12.3 27.9 188.0 112 112 A G - 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0 0 15 -2,-0.2 2,-0.1 1,-0.1 5,-0.1 -0.647 15.0-108.8 -94.9 151.1 10.4 26.1 159.5 212 212 A K > - 0 0 135 -2,-0.2 3,-1.9 -200,-0.2 -200,-0.1 -0.378 36.0-108.2 -66.2 155.6 8.9 24.0 162.4 213 213 A L G > S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.862 118.9 55.7 -57.5 -37.6 10.9 21.0 163.5 214 214 A S G 3 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.490 103.0 59.4 -73.0 -2.6 8.4 18.5 161.9 215 215 A D G < 0 0 51 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.088 360.0 360.0-117.3 18.8 8.8 20.3 158.6 216 216 A I < 0 0 74 -3,-1.2 -2,-0.1 -5,-0.1 -1,-0.1 0.968 360.0 360.0 -82.2 360.0 12.6 19.9 157.9 217 !* 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 0.0 218 1 B X 0 0 179 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 18.9 21.4 130.2 219 2 B T > - 0 0 48 1,-0.1 4,-1.7 111,-0.0 5,-0.1 -0.317 360.0-104.1 -83.7 169.5 15.4 21.3 129.0 220 3 B Q H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 126.0 52.9 -52.9 -43.5 12.9 24.2 128.7 221 4 B L H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.889 106.2 51.7 -62.9 -41.4 11.3 22.8 131.8 222 5 B D H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 108.8 51.4 -59.7 -39.7 14.6 22.7 133.7 223 6 B T H < S+ 0 0 59 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.1 46.6 -66.0 -39.6 15.2 26.4 132.8 224 7 B W H >< S+ 0 0 33 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.942 111.0 51.9 -68.1 -47.9 11.8 27.3 134.1 225 8 B L H >< S+ 0 0 25 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.777 100.8 60.5 -61.2 -34.0 12.3 25.3 137.2 226 9 B A T 3< S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.519 110.6 44.0 -71.2 -3.2 15.7 27.0 138.0 227 10 B N T < S+ 0 0 130 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.331 117.3 34.1-122.5 4.4 13.7 30.3 138.2 228 11 B T S < S- 0 0 20 -3,-0.9 27,-0.2 -4,-0.3 26,-0.0 -0.866 93.7 -72.5-144.4-178.5 10.6 29.3 140.2 229 12 B K - 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0 0 77 1,-0.1 3,-2.3 26,-0.1 4,-0.4 -0.897 64.3-151.9-114.7 119.6 -15.0 31.3 137.0 240 23 B L G > S+ 0 0 81 -2,-0.6 3,-1.9 1,-0.3 4,-0.5 0.801 94.6 66.6 -48.3 -42.9 -13.0 33.1 134.4 241 24 B V G 3 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.714 96.1 58.4 -55.4 -19.8 -12.9 36.3 136.4 242 25 B H G <> S+ 0 0 30 -3,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.667 84.6 83.6 -87.2 -8.7 -10.8 34.5 139.0 243 26 B A H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.4 5,-0.2 0.913 91.2 41.5 -63.5 -52.5 -8.0 33.6 136.7 244 27 B I H > S+ 0 0 59 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.971 117.3 44.4 -64.8 -53.6 -6.0 36.8 136.7 245 28 B P H > S+ 0 0 39 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.903 114.2 52.8 -61.3 -35.6 -6.1 37.6 140.5 246 29 B X H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 110.6 46.0 -59.1 -50.3 -5.4 33.9 141.2 247 30 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.863 112.6 50.5 -60.6 -38.5 -2.3 33.9 139.0 248 31 B K H X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 109.5 50.4 -66.9 -40.0 -1.1 37.2 140.5 249 32 B A H X S+ 0 0 5 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.880 111.5 50.3 -66.8 -38.3 -1.6 35.8 144.1 250 33 B L H ><>S+ 0 0 0 -4,-2.2 5,-2.2 -5,-0.2 3,-1.1 0.959 112.4 43.9 -63.0 -50.7 0.5 32.7 143.1 251 34 B V H ><5S+ 0 0 17 -4,-2.5 3,-2.5 1,-0.3 -2,-0.2 0.873 104.8 63.6 -65.3 -32.0 3.4 34.6 141.5 252 35 B A H 3<5S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 105.9 47.8 -61.3 -22.6 3.4 37.0 144.5 253 36 B G T <<5S- 0 0 5 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.277 126.5-104.2 -98.3 5.7 4.3 33.9 146.5 254 37 B G T < 5S+ 0 0 20 -3,-2.5 -25,-1.3 1,-0.2 2,-0.6 0.609 81.7 128.2 79.9 16.1 7.0 32.8 144.0 255 38 B V < + 0 0 0 -5,-2.2 -1,-0.2 -27,-0.2 -2,-0.2 -0.907 21.1 157.8-102.3 117.0 5.0 30.1 142.4 256 39 B H + 0 0 44 -2,-0.6 26,-3.8 -27,-0.3 2,-0.9 0.677 43.2 85.1-117.7 -21.8 5.1 30.6 138.6 257 40 B L E - 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