==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-DEC-06 2O3I . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,K.CUNNINGHAM,L.C.MA, . 751 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 17.0 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 31 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 0 0 2 2 0 2 0 5 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 3 4 3 3 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 1 0 1 0 1 0 0 0 0 0 0 0 0 1 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 A 0 0 74 0, 0.0 2,-0.2 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 -45.1 21.8 23.5 -5.6 2 3 A F E -A 50 0A 60 48,-2.1 48,-3.1 46,-0.0 2,-0.3 -0.840 360.0-125.6-142.4 178.8 22.9 25.7 -8.5 3 4 A E E -A 49 0A 106 -2,-0.2 2,-0.3 46,-0.2 46,-0.2 -0.964 8.0-139.7-136.3 153.9 26.0 27.2 -10.1 4 5 A L E -A 48 0A 1 44,-2.4 44,-2.6 -2,-0.3 3,-0.0 -0.827 12.2-162.2-109.4 148.3 27.4 30.6 -11.2 5 6 A S >> - 0 0 34 -2,-0.3 3,-1.8 42,-0.2 4,-0.6 -0.736 40.7 -96.6-118.7 168.2 29.3 31.4 -14.3 6 7 A P G >4 S+ 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.919 124.4 56.5 -53.7 -42.7 31.5 34.5 -15.0 7 8 A S G 34 S+ 0 0 86 1,-0.3 3,-0.2 2,-0.2 27,-0.0 0.648 98.8 62.9 -65.2 -13.0 28.6 36.3 -16.8 8 9 A D G <> S+ 0 0 21 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.642 86.2 74.0 -84.9 -14.9 26.5 35.8 -13.6 9 10 A L H S+ 0 0 51 -4,-0.5 4,-1.6 -3,-0.2 -1,-0.2 0.946 112.9 38.1 -66.3 -49.7 27.7 41.3 -13.0 11 12 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.870 114.9 57.5 -69.6 -31.3 24.0 40.8 -12.2 12 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.905 108.1 44.3 -62.4 -45.3 24.9 39.3 -8.9 13 14 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.864 111.8 54.8 -70.5 -33.4 26.9 42.3 -7.7 14 15 A Q H X S+ 0 0 16 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.949 112.6 41.2 -62.9 -50.9 24.2 44.7 -9.0 15 16 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 211,-0.3 -2,-0.2 0.908 114.7 51.9 -63.6 -43.0 21.4 43.0 -7.0 16 17 A A H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 94,-0.2 0.815 104.7 57.7 -63.3 -33.3 23.7 42.6 -3.9 17 18 A C H ><>S+ 0 0 1 -4,-2.0 3,-1.2 92,-0.3 5,-0.6 0.926 107.0 47.3 -63.4 -45.9 24.6 46.3 -4.1 18 19 A F H ><5S+ 0 0 3 -4,-1.7 3,-0.9 1,-0.3 -2,-0.2 0.880 113.5 47.9 -64.1 -37.0 20.9 47.1 -3.8 19 20 A F T 3<5S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.2 89,-0.2 0.447 93.9 81.9 -82.6 2.5 20.5 44.7 -0.9 20 21 A G T X 5S- 0 0 0 -3,-1.2 3,-2.0 115,-0.2 116,-0.3 0.476 94.8-131.6 -85.5 -1.0 23.6 46.2 0.7 21 22 A S T < 5S- 0 0 0 -3,-0.9 268,-3.2 1,-0.3 288,-0.1 0.894 74.8 -47.0 51.5 44.7 21.7 49.1 2.2 22 23 A G T 3 - 0 0 13 1,-0.1 4,-1.6 84,-0.1 5,-0.1 -0.404 26.0-133.3 -75.8 149.3 31.7 49.2 -4.3 27 28 A X H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.803 106.7 68.0 -68.0 -27.4 30.5 47.6 -7.6 28 29 A I H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 105.5 36.4 -56.4 -53.6 33.7 49.2 -8.9 29 30 A S H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.805 116.3 55.7 -71.7 -28.5 36.0 46.8 -6.9 30 31 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.905 110.0 45.4 -69.0 -40.1 33.5 44.0 -7.4 31 32 A R H X S+ 0 0 89 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.852 107.2 58.7 -70.3 -36.1 33.7 44.5 -11.2 32 33 A H H < S+ 0 0 68 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.891 111.8 41.1 -59.5 -40.3 37.5 44.7 -11.1 33 34 A L H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.899 114.1 50.6 -75.1 -42.7 37.6 41.2 -9.5 34 35 A A H >< S+ 0 0 17 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.801 96.1 71.3 -66.2 -30.5 34.9 39.7 -11.7 35 36 A A T 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 101.5 45.2 -57.5 -28.2 36.6 40.9 -14.9 36 37 A N T < S+ 0 0 35 -3,-1.0 2,-0.8 -4,-0.4 -1,-0.3 0.342 82.2 116.1 -99.3 5.8 39.4 38.4 -14.4 37 38 A F < + 0 0 6 -3,-1.7 2,-0.3 -4,-0.1 9,-0.1 -0.674 38.4 115.1 -81.3 113.2 37.3 35.4 -13.5 38 39 A R S >S- 0 0 150 -2,-0.8 5,-0.5 7,-0.1 7,-0.1 -0.922 73.4 -80.0-170.3 148.5 37.7 32.7 -16.2 39 40 A K B 5S+p 43 0B 135 -2,-0.3 2,-0.3 5,-0.1 3,-0.1 -0.310 80.9 95.1 -57.8 135.4 39.2 29.2 -16.3 40 41 A G T 5S- 0 0 37 3,-2.8 -1,-0.1 1,-0.1 -3,-0.0 -0.921 88.0 -36.3 177.0-150.6 43.0 29.3 -16.5 41 42 A D T 5S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.977 135.3 35.4 -63.9 -55.6 46.1 29.2 -14.4 42 43 A Y T 5S+ 0 0 41 1,-0.2 -1,-0.1 -4,-0.1 -3,-0.1 0.956 123.2 41.7 -65.6 -53.7 44.7 31.1 -11.5 43 44 A Y B < -p 39 0B 1 -5,-0.5 -3,-2.8 1,-0.1 -1,-0.2 -0.838 64.2-167.6-101.0 106.8 41.1 29.8 -11.6 44 45 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.630 74.9 41.3 -66.9 -9.6 41.0 26.0 -12.2 45 46 A T - 0 0 50 76,-0.2 -7,-0.1 -7,-0.1 79,-0.1 -0.990 56.2-157.5-143.8 152.5 37.3 26.3 -12.9 46 47 A D S S+ 0 0 53 -2,-0.3 2,-0.4 -7,-0.1 -1,-0.1 0.504 78.3 75.3 -98.2 -13.2 34.7 28.6 -14.6 47 48 A K - 0 0 112 -42,-0.1 2,-0.6 74,-0.1 -42,-0.2 -0.859 64.7-151.6-110.5 140.0 31.8 27.4 -12.5 48 49 A V E -A 4 0A 1 -44,-2.6 -44,-2.4 -2,-0.4 2,-0.4 -0.934 14.0-141.6-113.4 115.0 30.9 28.3 -8.9 49 50 A R E -A 3 0A 128 -2,-0.6 78,-2.3 76,-0.4 2,-0.5 -0.605 17.8-168.3 -76.4 126.9 28.9 25.7 -7.0 50 51 A V E -Ab 2 127A 0 -48,-3.1 -48,-2.1 -2,-0.4 2,-0.3 -0.982 6.1-173.2-119.5 126.2 26.3 27.4 -4.7 51 52 A V E - b 0 128A 11 76,-2.3 78,-3.0 -2,-0.5 2,-0.1 -0.835 23.5-115.6-119.9 155.6 24.6 25.3 -2.0 52 53 A D >> - 0 0 62 -2,-0.3 3,-2.2 76,-0.2 4,-1.3 -0.489 37.6-104.8 -83.0 158.7 21.7 25.8 0.5 53 54 A V G >4 S+ 0 0 9 76,-0.3 3,-0.7 1,-0.3 161,-0.1 0.882 121.7 53.3 -49.7 -44.8 22.4 25.8 4.2 54 55 A D G 34 S+ 0 0 131 1,-0.2 -1,-0.3 159,-0.1 3,-0.0 0.549 108.6 51.4 -71.1 -6.8 20.8 22.3 4.5 55 56 A E G <4 S+ 0 0 82 -3,-2.2 2,-2.6 1,-0.1 3,-0.4 0.647 82.4 92.9-100.1 -21.5 23.1 21.0 1.8 56 57 A A << + 0 0 1 -4,-1.3 -1,-0.1 -3,-0.7 157,-0.1 -0.433 52.8 113.4 -73.8 73.4 26.3 22.2 3.3 57 58 A T + 0 0 84 -2,-2.6 -1,-0.2 1,-0.1 154,-0.1 0.504 44.9 81.2-123.3 -8.8 27.0 19.0 5.2 58 59 A D S S- 0 0 132 -3,-0.4 2,-0.3 43,-0.1 -1,-0.1 0.074 107.0 -22.6 -90.0 27.8 30.1 17.4 3.6 59 60 A G S S- 0 0 10 -3,-0.1 41,-0.2 42,-0.1 2,-0.1 -0.920 84.0 -51.4 156.4 178.2 32.5 19.5 5.6 60 61 A D E -c 100 0A 6 39,-2.9 41,-2.8 -2,-0.3 42,-2.1 -0.388 41.5-143.5 -84.2 159.5 33.1 22.7 7.6 61 62 A C E -cD 102 208A 2 147,-2.8 147,-3.9 40,-0.2 2,-0.3 -0.839 10.9-169.2-121.4 156.4 32.4 26.3 6.5 62 63 A V E -c 103 0A 4 40,-1.4 42,-1.3 -2,-0.3 2,-0.3 -0.995 26.0-118.1-145.1 146.1 34.2 29.6 7.1 63 64 A X E -cD 104 205A 3 142,-2.4 142,-1.6 -2,-0.3 2,-0.4 -0.658 37.0-174.1 -81.5 136.3 33.3 33.3 6.5 64 65 A V E + D 0 204A 0 40,-1.8 2,-0.3 -2,-0.3 140,-0.2 -0.991 15.2 127.7-135.7 146.0 35.6 34.9 4.0 65 66 A A E - D 0 203A 9 138,-2.1 138,-3.0 -2,-0.4 2,-0.4 -0.977 51.3 -88.1-172.0-177.7 35.9 38.5 2.8 66 67 A Y E - D 0 202A 23 -2,-0.3 2,-0.3 136,-0.2 136,-0.2 -0.863 39.8-172.9-108.2 145.7 38.0 41.6 2.1 67 68 A X E + D 0 201A 14 134,-2.1 134,-2.1 -2,-0.4 2,-0.3 -0.987 35.1 44.1-140.6 147.3 38.4 44.2 4.9 68 69 A G E S- D 0 200A 30 -2,-0.3 132,-0.3 132,-0.2 131,-0.1 -0.814 89.3 -1.3 124.5-163.4 39.9 47.6 5.0 69 70 A A >> - 0 0 36 130,-2.9 4,-1.9 -2,-0.3 3,-0.9 -0.504 50.6-142.9 -71.9 126.8 40.0 50.9 3.1 70 71 A P H 3> S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.850 98.4 67.5 -56.9 -35.6 38.0 50.9 -0.2 71 72 A D H 34 S+ 0 0 130 1,-0.2 4,-0.1 2,-0.2 128,-0.0 0.886 107.8 38.0 -51.4 -43.1 40.7 53.0 -1.8 72 73 A A H X4 S+ 0 0 12 -3,-0.9 3,-1.4 1,-0.2 4,-0.4 0.875 114.6 53.7 -77.2 -39.7 43.1 50.1 -1.6 73 74 A I H >< S+ 0 0 10 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.811 96.4 67.0 -66.9 -29.1 40.5 47.5 -2.4 74 75 A N T 3< S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.551 98.6 55.7 -68.5 -4.9 39.5 49.3 -5.6 75 76 A Q T < S+ 0 0 151 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.576 81.4 109.8-102.5 -13.2 42.9 48.4 -7.0 76 77 A V < + 0 0 10 -3,-1.2 -3,-0.0 -4,-0.4 -44,-0.0 -0.360 35.6 175.6 -68.0 141.9 42.8 44.7 -6.5 77 78 A Q S S+ 0 0 88 1,-0.4 -41,-0.3 -2,-0.1 -1,-0.1 0.663 72.6 28.7-112.8 -38.3 42.5 42.4 -9.6 78 79 A W S S- 0 0 82 -41,-0.0 2,-1.8 -44,-0.0 -1,-0.4 -0.960 81.3-119.9-126.2 145.0 42.7 39.0 -8.0 79 80 A P > + 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.309 54.1 147.1 -81.8 57.6 41.5 38.0 -4.5 80 81 A N H > + 0 0 54 -2,-1.8 4,-2.8 1,-0.2 5,-0.2 0.910 68.7 53.1 -57.9 -44.8 44.9 36.8 -3.2 81 82 A G H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.960 112.6 40.7 -56.8 -58.4 44.2 38.0 0.3 82 83 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.893 115.8 52.0 -58.7 -41.2 40.9 36.1 0.8 83 84 A V H X S+ 0 0 8 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.942 112.3 45.7 -60.6 -45.8 42.2 33.1 -1.0 84 85 A E H X S+ 0 0 78 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.869 113.3 49.7 -66.2 -36.4 45.3 33.0 1.3 85 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.915 110.5 49.1 -68.0 -44.2 43.1 33.5 4.4 86 87 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.826 108.9 54.6 -64.7 -31.5 40.7 30.8 3.5 87 88 A L H X S+ 0 0 61 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.853 105.4 52.1 -70.1 -35.0 43.7 28.5 2.9 88 89 A A H X S+ 0 0 18 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.936 111.2 47.7 -65.5 -43.4 45.0 29.2 6.4 89 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.878 111.9 50.0 -64.6 -38.0 41.6 28.2 7.7 90 91 A R H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.901 109.8 50.4 -66.9 -42.2 41.6 25.1 5.6 91 92 A Q H X S+ 0 0 147 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 110.5 49.7 -62.5 -42.8 45.0 24.1 6.8 92 93 A R H X S+ 0 0 54 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.919 111.2 48.9 -62.9 -42.5 44.0 24.6 10.4 93 94 A L H ><>S+ 0 0 5 -4,-2.1 5,-3.0 1,-0.2 3,-0.5 0.879 109.2 53.2 -64.6 -37.2 40.9 22.5 9.9 94 95 A E H ><5S+ 0 0 63 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.907 105.0 54.3 -64.3 -40.0 43.0 19.8 8.2 95 96 A S H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.739 107.7 51.7 -66.7 -19.8 45.3 19.7 11.3 96 97 A Q T <<5S- 0 0 121 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.162 124.4-102.7-101.7 17.7 42.2 19.1 13.4 97 98 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.745 85.4 113.2 70.8 24.3 41.0 16.2 11.3 98 99 A R < - 0 0 119 -5,-3.0 2,-0.5 -6,-0.1 -1,-0.2 -0.882 60.0-126.0-127.6 160.4 38.3 18.1 9.4 99 100 A K - 0 0 61 -2,-0.3 -39,-2.9 -3,-0.1 2,-0.5 -0.902 11.8-139.3-111.0 129.8 37.7 19.3 5.9 100 101 A L E +c 60 0A 6 -2,-0.5 -39,-0.2 -10,-0.2 3,-0.1 -0.732 38.6 152.5 -81.6 123.3 37.0 22.8 4.8 101 102 A A E + 0 0 24 -41,-2.8 25,-2.3 -2,-0.5 2,-0.4 0.452 51.1 49.9-129.5 -10.3 34.3 22.5 2.1 102 103 A Y E -ce 61 126A 9 -42,-2.1 -40,-1.4 23,-0.2 2,-0.3 -0.978 48.9-169.9-139.6 149.7 32.4 25.8 2.3 103 104 A V E -ce 62 127A 0 23,-2.0 25,-2.0 -2,-0.4 2,-0.3 -0.858 12.9-165.8-124.5 161.4 32.8 29.5 2.3 104 105 A V E -c 63 0A 1 -42,-1.3 -40,-1.8 -2,-0.3 27,-0.1 -0.977 23.7-114.3-154.2 137.6 30.2 32.2 3.0 105 106 A A - 0 0 0 25,-0.5 27,-0.5 23,-0.4 -40,-0.1 -0.377 22.2-135.2 -66.7 147.9 29.9 35.9 2.5 106 107 A P S S- 0 0 13 0, 0.0 26,-1.5 0, 0.0 2,-0.2 0.882 79.0 -12.3 -72.8 -33.5 29.7 37.9 5.8 107 108 A E S S- 0 0 34 24,-0.2 2,-0.5 25,-0.2 29,-0.2 -0.860 83.6 -75.5-152.3 179.5 26.9 40.1 4.5 108 109 A S S S+ 0 0 0 27,-1.6 2,-0.3 -2,-0.2 -85,-0.1 -0.793 72.4 108.8 -90.9 124.8 24.9 41.1 1.4 109 110 A G S > S- 0 0 0 -2,-0.5 4,-1.2 1,-0.1 5,-0.4 -0.934 78.7 -83.6 177.3 163.0 26.8 43.5 -0.9 110 111 A A H > S+ 0 0 0 -85,-0.6 4,-0.6 -87,-0.4 -85,-0.2 0.833 125.2 34.2 -48.3 -43.1 28.6 43.9 -4.2 111 112 A L H > S+ 0 0 17 -87,-2.0 4,-3.3 3,-0.1 5,-0.3 0.892 105.7 69.7 -81.3 -45.2 31.9 42.5 -2.9 112 113 A G H > S+ 0 0 8 -88,-0.8 4,-2.0 1,-0.2 5,-0.2 0.859 105.8 34.2 -40.1 -61.6 30.7 39.9 -0.4 113 114 A F H X S+ 0 0 1 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.898 118.4 54.3 -68.6 -38.6 29.2 37.3 -2.7 114 115 A V H X S+ 0 0 0 -4,-0.6 4,-2.8 -5,-0.4 5,-0.2 0.955 109.8 45.7 -59.3 -53.8 31.8 38.0 -5.5 115 116 A V H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.946 114.3 48.2 -55.9 -51.6 34.8 37.4 -3.1 116 117 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.910 112.7 50.0 -56.3 -43.3 33.3 34.3 -1.6 117 118 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.923 111.2 47.1 -62.1 -46.4 32.5 33.0 -5.1 118 119 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.889 112.5 50.3 -64.3 -38.6 36.0 33.6 -6.4 119 120 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 110.5 49.0 -66.2 -43.2 37.6 32.0 -3.4 120 121 A A H X>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 4,-1.7 0.919 111.4 49.4 -61.8 -44.9 35.4 28.9 -3.7 121 122 A A H <5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.4 48.3 -60.9 -39.1 36.2 28.5 -7.4 122 123 A K H <5S+ 0 0 63 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.844 121.7 32.2 -71.1 -36.7 39.9 28.9 -6.5 123 124 A L H <5S- 0 0 22 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.458 109.5-110.9-103.0 -1.6 39.9 26.3 -3.7 124 125 A G T <5S+ 0 0 52 -4,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.858 72.9 132.9 75.7 35.6 37.3 23.9 -5.0 125 126 A L < - 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0 0 35 -4,-1.9 -5,-0.2 1,-0.2 -6,-0.1 0.911 65.9 -54.6 72.2 42.3 44.2 49.6 29.2 577 202 B Q T 3 - 0 0 37 -2,-0.3 4,-2.6 -148,-0.2 3,-0.2 -0.492 44.4-100.4 -89.4 164.3 63.6 24.5 22.6 588 213 B P H > S+ 0 0 46 0, 0.0 4,-1.4 0, 0.0 -153,-0.1 0.904 126.0 51.9 -55.2 -37.0 66.7 23.8 24.7 589 214 B A H > S+ 0 0 87 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.885 110.4 45.7 -65.9 -41.0 68.7 23.7 21.4 590 215 B Q H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 104.0 65.7 -71.1 -34.0 67.4 27.1 20.2 591 216 B L H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.908 97.3 54.4 -51.3 -50.5 68.0 28.6 23.7 592 217 B G H < S+ 0 0 19 -4,-1.4 3,-0.5 2,-0.2 -1,-0.2 0.942 114.8 36.5 -51.1 -58.3 71.8 28.2 23.4 593 218 B G H < S+ 0 0 56 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.2 54.4 -63.7 -43.6 72.2 30.0 20.2 594 219 B A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.721 108.2 52.7 -63.4 -22.8 69.5 32.6 21.0 595 220 B L < + 0 0 0 -4,-1.7 -1,-0.2 -3,-0.5 -163,-0.1 -0.558 53.0 143.8-119.9 70.2 71.2 33.5 24.3 596 221 B P + 0 0 62 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.784 63.5 74.2 -75.0 -25.5 74.8 34.4 23.9 597 222 B V S S+ 0 0 12 -87,-0.3 -87,-1.3 -3,-0.2 3,-0.2 -0.773 75.7 169.5 -91.6 102.1 74.7 37.2 26.6 598 223 B R B +Z 509 0G 88 -2,-1.0 -89,-0.3 -89,-0.2 -167,-0.1 -0.710 40.3 35.4-118.6 166.4 74.6 35.1 29.8 599 224 B G S > S+ 0 0 20 -91,-2.8 4,-2.0 -2,-0.2 -90,-0.2 0.588 70.8 132.7 73.1 13.1 74.9 35.4 33.5 600 225 B T H > + 0 0 1 -92,-0.3 4,-1.5 -3,-0.2 -91,-0.1 0.778 66.0 51.4 -67.5 -27.6 73.1 38.7 33.4 601 226 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 115.1 39.4 -75.5 -50.3 70.7 38.0 36.2 602 227 B S H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.841 113.7 58.1 -66.1 -30.4 73.2 36.8 38.8 603 228 B R H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.896 108.6 45.8 -62.4 -40.9 75.4 39.6 37.4 604 229 B A H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.916 113.4 48.3 -68.7 -43.9 72.6 42.0 38.4 605 230 B L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.910 108.6 54.5 -63.6 -42.9 72.1 40.4 41.8 606 231 B K H X S+ 0 0 90 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.930 113.7 40.5 -57.4 -48.4 75.8 40.5 42.6 607 232 B L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.930 113.8 53.7 -66.4 -46.6 76.1 44.3 41.9 608 233 B G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.870 107.8 50.4 -56.2 -40.6 72.8 45.0 43.6 609 234 B R H X S+ 0 0 100 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.923 109.3 51.5 -64.3 -43.9 73.9 43.2 46.8 610 235 B A H <>S+ 0 0 4 -4,-1.7 5,-2.8 -5,-0.2 6,-0.6 0.908 111.5 48.0 -58.4 -41.7 77.2 45.2 46.7 611 236 B L H ><5S+ 0 0 9 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.908 112.6 47.7 -65.4 -43.5 75.1 48.4 46.4 612 237 B Q H 3<5S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 108.1 54.8 -69.6 -29.8 72.8 47.4 49.2 613 238 B D T 3<5S- 0 0 99 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.217 116.2-113.9 -87.9 14.1 75.7 46.4 51.5 614 239 B G T < 5S+ 0 0 26 -3,-1.2 -3,-0.2 2,-0.1 3,-0.2 0.749 75.4 135.6 60.6 26.7 77.2 49.9 51.0 615 240 B K < + 0 0 139 -5,-2.8 2,-0.4 1,-0.2 -4,-0.2 0.706 68.5 38.6 -76.9 -21.5 80.2 48.5 49.2 616 241 B V + 0 0 0 -6,-0.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.889 55.1 150.1-137.4 106.2 80.1 51.1 46.4 617 242 B K + 0 0 74 -2,-0.4 75,-1.3 -3,-0.2 2,-0.3 0.461 63.2 52.5-112.0 -5.5 79.2 54.8 47.2 618 243 B T S > S- 0 0 48 73,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.921 80.1-118.9-132.0 158.8 81.2 56.6 44.5 619 244 B A H > S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 118.4 55.0 -60.5 -35.7 81.5 56.5 40.7 620 245 B E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 109.1 45.7 -62.6 -48.9 85.2 55.7 41.3 621 246 B A H > S+ 0 0 30 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.875 111.3 53.6 -62.2 -39.4 84.3 52.7 43.5 622 247 B X H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.952 109.0 47.8 -60.8 -49.7 81.6 51.6 41.0 623 248 B L H X S+ 0 0 37 -4,-2.6 4,-1.4 1,-0.2 11,-0.3 0.891 114.0 48.3 -58.0 -40.5 84.2 51.6 38.2 624 249 B D H X S+ 0 0 63 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.926 111.6 48.8 -65.9 -46.0 86.6 49.6 40.4 625 250 B F H X>S+ 0 0 22 -4,-3.1 4,-2.7 1,-0.2 5,-1.0 0.924 108.4 52.9 -59.8 -48.8 83.9 47.1 41.5 626 251 B L H X5S+ 0 0 0 -4,-2.8 6,-2.8 3,-0.2 4,-0.5 0.856 115.9 42.3 -56.0 -36.4 82.8 46.5 37.9 627 252 B R H X5S+ 0 0 188 -4,-1.4 4,-0.6 4,-0.3 -2,-0.2 0.922 122.0 34.9 -78.8 -47.8 86.4 45.7 37.0 628 253 B R H <5S+ 0 0 174 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.908 132.0 27.1 -74.5 -44.8 87.5 43.7 40.0 629 254 B E H <5S+ 0 0 101 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.765 134.8 25.0 -91.7 -29.6 84.3 41.8 40.7 630 255 B L H < - 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0 0 16 -2,-0.4 -10,-0.5 -10,-0.2 2,-0.2 -0.993 27.7-136.7-150.1 141.1 68.0 55.3 38.6 699 333 B S >> - 0 0 3 -2,-0.3 4,-0.9 1,-0.1 3,-0.8 -0.513 45.1 -99.8 -87.8 167.9 66.4 54.6 35.3 700 334 B N H >> S+ 0 0 6 -299,-2.7 3,-0.9 -35,-0.4 4,-0.8 0.912 128.3 52.9 -55.4 -38.3 65.4 57.7 33.4 701 335 B G H 34 S+ 0 0 44 -300,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.775 103.2 56.6 -67.4 -27.1 61.8 57.0 34.7 702 336 B D H <4 S+ 0 0 15 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.615 98.1 62.9 -79.5 -14.3 63.0 56.8 38.3 703 337 B L H << S+ 0 0 10 -3,-0.9 8,-1.7 -4,-0.9 2,-0.2 0.805 78.5 95.6 -79.8 -32.2 64.6 60.3 38.1 704 338 B S B < +G 710 0J 77 -4,-0.8 6,-0.3 6,-0.2 2,-0.2 -0.439 58.0 144.9 -62.4 124.5 61.3 62.1 37.5 705 339 B G - 0 0 33 4,-2.1 6,-0.3 -2,-0.2 -2,-0.1 -0.712 59.4 -92.4-145.0-163.7 60.0 63.3 40.9 706 340 B N S S+ 0 0 95 -2,-0.2 5,-0.2 2,-0.1 -2,-0.1 0.511 96.8 76.1-100.4 -7.6 58.2 66.0 42.9 707 341 B D S S- 0 0 97 3,-2.2 4,-0.1 1,-0.2 -3,-0.0 0.865 127.1 -21.8 -67.0-102.0 61.1 68.2 44.0 708 342 B H S S- 0 0 50 3,-0.2 -1,-0.2 -64,-0.1 3,-0.1 -0.189 118.7 -65.6-100.6 39.0 62.2 70.3 41.0 709 343 B G S S+ 0 0 42 1,-0.5 -4,-2.1 -63,-0.1 2,-0.2 0.279 123.5 93.9 93.6 -8.4 60.6 67.8 38.7 710 344 B L B S-G 704 0J 18 -6,-0.3 -3,-2.2 1,-0.1 -1,-0.5 -0.596 94.6 -75.3-108.6 171.0 63.3 65.3 39.9 711 345 B D >> - 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B 0 685H 10 -39,-2.5 -39,-2.0 -2,-0.4 -90,-0.1 -0.963 26.1-114.0-115.0 126.7 79.5 50.3 29.8 725 359 B P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 -41,-0.0 -0.307 40.3-106.2 -58.5 140.5 81.1 48.6 26.7 726 360 B A - 0 0 22 1,-0.1 2,-0.2 2,-0.1 -42,-0.1 -0.271 33.9-100.5 -67.0 153.5 78.5 46.6 24.8 727 361 B A >> - 0 0 34 -215,-0.4 3,-2.1 -44,-0.2 4,-0.8 -0.517 39.7-109.4 -71.6 144.2 78.5 42.8 24.9 728 362 B A G >4 S+ 0 0 75 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.812 114.6 61.1 -45.1 -44.0 80.2 41.3 21.8 729 363 B P G 34 S+ 0 0 48 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.772 104.8 50.6 -60.0 -22.2 76.9 40.0 20.3 730 364 B L G <4 S+ 0 0 1 -3,-2.1 -2,-0.2 1,-0.2 9,-0.2 0.733 99.8 63.6 -86.6 -23.4 75.5 43.5 20.2 731 365 B S S << S+ 0 0 42 -4,-0.8 2,-0.3 -3,-0.8 -1,-0.2 -0.125 102.0 48.3 -94.6 37.6 78.5 45.1 18.4 732 366 B E S >> S- 0 0 149 -3,-0.4 4,-1.2 -2,-0.1 3,-0.6 -0.990 92.0 -1.0-166.2 163.9 78.3 43.2 15.2 733 367 B G H 3> S- 0 0 56 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 -0.068 113.7 -13.3 54.3-143.8 76.1 42.0 12.3 734 368 B L H 3> S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 131.5 57.6 -61.6 -41.2 72.3 42.7 12.2 735 369 B I H <> S+ 0 0 4 -3,-0.6 4,-1.8 -6,-0.2 -1,-0.2 0.883 104.2 54.7 -61.1 -36.7 71.9 43.9 15.8 736 370 B L H X S+ 0 0 52 -4,-1.2 4,-1.9 -3,-0.2 -1,-0.2 0.937 108.1 47.6 -61.3 -47.2 74.5 46.6 15.1 737 371 B Q H X S+ 0 0 50 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.818 107.6 57.3 -63.0 -32.0 72.5 47.9 12.1 738 372 B S H X S+ 0 0 19 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.895 108.1 46.6 -66.4 -39.3 69.4 47.8 14.2 739 373 B F H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.840 110.1 54.6 -70.2 -33.8 71.0 50.1 16.7 740 374 B A H X S+ 0 0 49 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.940 107.7 48.4 -64.9 -47.6 72.3 52.3 13.9 741 375 B D H X S+ 0 0 115 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.892 112.1 49.6 -60.4 -40.8 68.7 52.8 12.5 742 376 B E H < S+ 0 0 46 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.965 112.8 46.4 -62.3 -51.9 67.4 53.6 15.9 743 377 B L H ><>S+ 0 0 8 -4,-2.5 5,-1.6 1,-0.2 3,-1.3 0.861 107.9 57.8 -58.2 -38.9 70.2 56.2 16.5 744 378 B A H ><5S+ 0 0 32 -4,-2.6 3,-2.7 1,-0.3 -1,-0.2 0.916 99.2 57.1 -59.1 -45.5 69.6 57.7 13.1 745 379 B Q T 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.638 106.0 53.8 -61.8 -12.6 66.0 58.4 13.8 746 380 B L T < 5S- 0 0 57 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.217 129.0 -97.0-105.5 11.9 67.4 60.4 16.7 747 381 B G T < 5S+ 0 0 61 -3,-2.7 2,-0.9 1,-0.2 -3,-0.2 0.106 89.1 117.0 98.9 -23.3 69.7 62.5 14.6 748 382 B Y < + 0 0 36 -5,-1.6 -2,-0.2 1,-0.2 -1,-0.2 -0.719 24.5 163.6 -86.9 106.9 73.0 60.6 14.9 749 383 B L + 0 0 155 -2,-0.9 -1,-0.2 -5,-0.1 -5,-0.1 0.254 42.0 110.6-102.4 10.2 74.0 59.2 11.5 750 384 B G S S- 0 0 36 1,-0.1 2,-0.1 -7,-0.1 3,-0.1 -0.222 73.8 -91.2 -79.4 173.5 77.6 58.5 12.5 751 385 B P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 47.6 -86.6 -83.2 165.9 79.2 55.1 13.0 752 386 B Y - 0 0 54 -2,-0.1 -70,-0.0 1,-0.1 -12,-0.0 -0.538 39.3-167.1 -71.3 131.6 79.4 53.1 16.3 753 387 B A - 0 0 64 -2,-0.3 -72,-0.3 -3,-0.1 -1,-0.1 -0.854 17.7-137.2-123.3 93.2 82.4 54.1 18.3 754 388 B P - 0 0 75 0, 0.0 -72,-0.1 0, 0.0 -74,-0.0 -0.184 4.1-142.0 -51.0 135.7 83.0 51.6 21.1 755 389 B V 0 0 26 -74,-0.2 -32,-0.0 -31,-0.1 -75,-0.0 0.806 360.0 360.0 -68.2 -28.4 83.9 53.2 24.5 756 390 B D 0 0 95 -32,-0.1 -122,-0.0 -30,-0.1 -32,-0.0 0.682 360.0 360.0-118.5 360.0 86.3 50.3 24.9