==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-SEP-12 4H2T . COMPND 2 MOLECULE: AMINO ACID--[ACYL-CARRIER-PROTEIN] LIGASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR M.LUIC,I.WEYGAND-DURASEVIC,N.IVIC,M.MOCIBOB . 692 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 45 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 0 8 0 0 0 0 0 4 1 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 4 3 2 0 2 0 2 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 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 18 A D > 0 0 71 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 136.7 98.9 57.5 32.0 2 19 A P T 3 + 0 0 58 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.648 360.0 50.6 -56.4 -21.0 96.2 60.1 30.8 3 20 A L T > S+ 0 0 0 1,-0.2 3,-2.5 2,-0.1 4,-0.4 0.717 82.7 92.4 -92.8 -16.6 93.3 58.0 31.9 4 21 A D G X S+ 0 0 78 -3,-1.4 3,-1.1 1,-0.3 4,-0.4 0.712 75.1 64.6 -49.9 -30.8 94.4 57.3 35.5 5 22 A H G 3 S+ 0 0 131 -4,-0.3 4,-0.4 -3,-0.3 3,-0.3 0.702 92.7 63.8 -70.1 -17.7 92.6 60.3 37.0 6 23 A L G <> S+ 0 0 3 -3,-2.5 4,-1.6 1,-0.2 3,-0.5 0.683 82.0 83.4 -77.3 -17.4 89.2 58.8 36.1 7 24 A A H <> S+ 0 0 28 -3,-1.1 4,-2.9 -4,-0.4 3,-0.3 0.888 81.6 57.0 -54.8 -50.1 89.8 55.8 38.4 8 25 A D H 4 S+ 0 0 153 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.852 115.4 37.0 -53.6 -40.8 88.6 57.4 41.7 9 26 A K H 4 S+ 0 0 116 -3,-0.5 17,-0.3 -4,-0.4 -1,-0.2 0.763 128.2 32.0 -81.0 -26.4 85.2 58.2 40.3 10 27 A L H < S+ 0 0 0 -4,-1.6 13,-2.1 -3,-0.3 2,-0.3 0.725 113.6 32.0-105.8 -26.5 84.6 55.1 38.1 11 28 A F E < -A 22 0A 13 -4,-2.9 2,-0.4 -5,-0.2 11,-0.2 -0.907 48.7-150.0-142.3 153.6 86.3 52.1 39.7 12 29 A H E -A 21 0A 44 9,-1.8 9,-2.6 -2,-0.3 2,-0.1 -0.988 39.2-105.2-123.8 140.0 87.4 50.3 42.8 13 30 A S E -A 20 0A 87 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.387 27.2-173.9 -62.5 134.5 90.4 48.1 43.0 14 31 A M E - 0 0 1 5,-0.9 338,-0.6 2,-0.3 341,-0.2 0.120 55.2 -98.9-113.9 16.5 89.6 44.4 43.1 15 32 A G E S+ 0 0 45 1,-0.1 2,-0.3 336,-0.1 339,-0.1 0.700 96.1 84.1 80.3 21.5 93.2 43.3 43.6 16 33 A S E > S-A 19 0A 11 3,-0.5 3,-1.9 336,-0.1 -2,-0.3 -0.917 82.5-107.2-157.6 125.6 94.1 42.4 40.0 17 34 A D T 3 S+ 0 0 61 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.262 105.6 15.6 -54.2 130.6 95.2 44.5 37.0 18 35 A G T 3 S+ 0 0 1 128,-0.2 135,-1.9 127,-0.1 136,-1.3 0.526 104.6 97.9 85.4 5.4 92.4 44.9 34.5 19 36 A V E < +A 16 0A 1 -3,-1.9 -5,-0.9 133,-0.2 -3,-0.5 -0.952 51.0 168.2-131.4 106.4 89.6 43.7 36.8 20 37 A Y E -A 13 0A 32 -2,-0.5 2,-0.3 134,-0.3 -7,-0.2 -0.923 37.1-123.0-127.1 145.1 87.6 46.6 38.5 21 38 A A E -A 12 0A 0 -9,-2.6 -9,-1.8 -2,-0.4 2,-0.5 -0.656 37.0-130.4 -75.6 142.2 84.5 47.1 40.5 22 39 A R E -AB 11 346A 7 324,-3.0 324,-2.2 -2,-0.3 -11,-0.2 -0.843 12.0-135.6-105.6 128.5 82.2 49.6 38.8 23 40 A T E > - B 0 345A 17 -13,-2.1 4,-2.5 -2,-0.5 5,-0.2 -0.230 28.9-107.5 -72.2 164.0 80.6 52.6 40.6 24 41 A A H > S+ 0 0 58 320,-0.5 4,-2.4 1,-0.2 5,-0.2 0.903 120.4 54.8 -57.8 -40.7 77.0 53.5 40.2 25 42 A L H > S+ 0 0 42 -16,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 111.0 42.6 -57.1 -52.7 78.2 56.6 38.1 26 43 A Y H > S+ 0 0 0 -17,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.914 115.1 48.9 -61.4 -45.7 80.2 54.5 35.7 27 44 A E H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 104.7 59.8 -70.6 -31.8 77.5 51.8 35.3 28 45 A S H X S+ 0 0 44 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.911 108.8 44.5 -62.4 -40.2 74.8 54.4 34.7 29 46 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.900 110.8 52.5 -71.3 -39.8 76.7 55.6 31.7 30 47 A V H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 111.2 50.0 -57.8 -41.3 77.4 52.0 30.4 31 48 A E H X S+ 0 0 101 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 47.3 -63.8 -45.4 73.6 51.4 30.7 32 49 A R H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.820 111.6 52.0 -66.4 -31.7 72.7 54.6 28.8 33 50 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 109.7 49.4 -69.3 -39.7 75.3 53.6 26.1 34 51 A A H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.868 110.7 49.0 -64.5 -42.1 73.7 50.2 25.8 35 52 A A H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.887 110.4 52.1 -66.1 -38.3 70.2 51.7 25.5 36 53 A L H X S+ 0 0 18 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.932 110.7 47.1 -62.8 -46.8 71.4 54.0 22.8 37 54 A I H >< S+ 0 0 7 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.954 110.2 52.8 -59.8 -50.2 72.9 51.2 20.9 38 55 A T H >< S+ 0 0 49 -4,-2.6 3,-2.4 1,-0.3 -1,-0.2 0.890 101.6 60.8 -49.9 -43.0 69.7 49.1 21.2 39 56 A S H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.650 103.5 51.1 -65.0 -15.2 67.7 52.1 19.9 40 57 A H T << S+ 0 0 61 -3,-2.0 -1,-0.3 -4,-0.6 -2,-0.2 0.220 80.3 132.7-101.8 8.6 69.7 51.8 16.6 41 58 A R < - 0 0 94 -3,-2.4 3,-0.1 -4,-0.1 4,-0.1 -0.433 59.8-117.9 -64.6 131.4 69.1 48.1 16.1 42 59 A E > - 0 0 30 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.324 35.7 -97.8 -63.5 148.5 68.0 47.1 12.6 43 60 A A T 3 S+ 0 0 88 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.345 107.5 35.9 -65.7 150.4 64.5 45.6 12.3 44 61 A G T 3 S+ 0 0 64 1,-0.2 2,-0.6 -3,-0.1 89,-0.5 0.752 83.5 142.3 77.3 25.1 64.4 41.8 12.1 45 62 A T E < -i 133 0B 23 -3,-0.6 2,-0.5 87,-0.1 -1,-0.2 -0.880 44.4-143.8-108.1 119.2 67.3 41.4 14.5 46 63 A E E -i 134 0B 61 87,-2.6 89,-3.0 -2,-0.6 2,-0.5 -0.684 15.7-145.6 -82.2 126.4 67.1 38.6 17.0 47 64 A A E +i 135 0B 16 -2,-0.5 274,-0.6 87,-0.2 2,-0.4 -0.823 20.7 175.6 -99.1 123.2 68.6 39.5 20.4 48 65 A L E -iJ 136 320B 1 87,-3.2 89,-0.8 -2,-0.5 2,-0.5 -0.958 18.2-149.7-122.9 143.8 70.4 36.9 22.5 49 66 A R E -iJ 137 319B 51 270,-2.1 270,-2.7 -2,-0.4 89,-0.2 -0.955 14.9-159.3-114.4 124.6 72.3 37.4 25.8 50 67 A F - 0 0 8 87,-2.5 89,-0.4 -2,-0.5 268,-0.1 -0.754 14.9-124.3-101.5 145.1 75.2 35.1 26.5 51 68 A P - 0 0 0 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.207 38.9 -97.7 -70.6 173.7 76.8 34.3 29.9 52 69 A P S S+ 0 0 7 0, 0.0 58,-1.9 0, 0.0 2,-0.3 0.522 105.2 63.0 -74.3 -2.2 80.5 34.9 30.5 53 70 A V E +Q 109 0C 1 56,-0.3 2,-0.3 87,-0.1 56,-0.2 -0.892 60.9 178.5-121.4 155.0 81.3 31.3 29.8 54 71 A M E -Q 108 0C 1 54,-3.0 54,-2.9 -2,-0.3 2,-0.1 -0.924 41.8 -68.1-146.2 170.1 80.9 29.1 26.6 55 72 A S E > -Q 107 0C 8 256,-0.6 4,-1.7 -2,-0.3 52,-0.3 -0.389 32.7-148.8 -64.0 129.6 81.6 25.6 25.4 56 73 A R H > S+ 0 0 43 50,-2.4 4,-2.6 2,-0.2 5,-0.2 0.876 98.8 52.8 -64.3 -37.1 85.3 24.8 25.0 57 74 A A H > S+ 0 0 63 49,-0.5 4,-2.9 1,-0.2 5,-0.2 0.938 107.0 52.0 -67.2 -43.2 84.6 22.5 22.1 58 75 A Q H > S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.889 112.5 45.4 -57.9 -39.3 82.6 25.2 20.3 59 76 A L H <>S+ 0 0 2 -4,-1.7 5,-1.5 2,-0.2 4,-0.3 0.903 111.5 51.8 -73.9 -40.7 85.5 27.6 20.7 60 77 A E H ><5S+ 0 0 34 -4,-2.6 3,-1.5 1,-0.2 5,-0.2 0.930 109.3 50.7 -54.4 -49.3 88.1 25.1 19.6 61 78 A K H 3<5S+ 0 0 124 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.0 61.8 -59.2 -29.9 86.0 24.3 16.5 62 79 A S T 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.479 113.7-115.2 -81.4 -5.1 85.9 28.0 15.7 63 80 A G T X>5S+ 0 0 23 -3,-1.5 3,-1.0 -4,-0.3 4,-0.9 0.566 70.1 138.9 88.0 10.6 89.6 28.3 15.4 64 81 A Y H >>X + 0 0 17 -4,-2.6 3,-1.6 132,-0.2 4,-0.8 -0.390 62.2 148.6-135.6 56.8 94.9 34.0 20.0 69 86 A P T 34 S+ 0 0 3 0, 0.0 306,-0.5 0, 0.0 3,-0.2 0.774 75.9 60.9 -66.4 -21.0 95.8 31.0 22.2 70 87 A N T 34 S+ 0 0 49 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.569 104.8 47.3 -79.7 -12.1 97.7 33.4 24.6 71 88 A L T <4 S+ 0 0 10 -3,-1.6 72,-2.5 71,-0.1 -1,-0.2 0.578 84.9 111.5-101.7 -14.5 94.5 35.4 25.4 72 89 A L < - 0 0 8 -4,-0.8 2,-0.5 -3,-0.2 303,-0.4 -0.358 52.1-155.3 -70.5 134.7 92.2 32.5 26.1 73 90 A G E -R 109 0C 0 36,-0.5 36,-2.4 68,-0.3 2,-0.3 -0.950 13.0-159.8-103.7 124.7 91.0 32.0 29.7 74 91 A C E -RS 108 373C 0 299,-3.3 299,-2.9 -2,-0.5 2,-0.5 -0.816 16.5-123.7-105.1 147.3 90.0 28.4 30.4 75 92 A V E + S 0 372C 1 32,-2.1 30,-3.0 -2,-0.3 32,-0.4 -0.786 35.8 176.2 -89.1 123.3 87.7 27.3 33.2 76 93 A C E +RS 104 371C 5 295,-2.7 295,-3.6 -2,-0.5 2,-0.3 -0.909 2.7 169.6-126.2 157.3 89.3 24.7 35.5 77 94 A G E -R 103 0C 1 26,-2.5 26,-2.1 -2,-0.3 2,-1.0 -0.910 46.1 -83.0-152.3 176.5 88.2 23.0 38.7 78 95 A L + 0 0 12 288,-0.5 24,-0.1 291,-0.4 7,-0.1 -0.830 48.6 165.7 -90.2 103.5 88.8 20.3 41.2 79 96 A H + 0 0 75 -2,-1.0 -1,-0.1 22,-0.5 23,-0.1 0.322 38.4 102.8-102.2 5.1 87.2 17.3 39.5 80 97 A G S S- 0 0 38 21,-0.3 2,-0.1 1,-0.2 -2,-0.0 0.281 77.4 -70.6 -76.4-159.6 88.7 14.5 41.6 81 98 A T > - 0 0 78 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.417 51.3 -98.4 -86.1 169.2 87.4 12.3 44.4 82 99 A E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 125.3 51.5 -57.3 -35.3 86.7 13.5 47.9 83 100 A R H > S+ 0 0 215 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 111.0 46.4 -68.3 -48.5 90.1 12.3 49.1 84 101 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 114.1 48.1 -58.9 -46.3 92.0 14.1 46.3 85 102 A I H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.894 110.6 51.6 -63.5 -39.7 90.0 17.3 46.9 86 103 A N H X S+ 0 0 63 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.873 108.9 50.8 -63.2 -37.8 90.7 17.1 50.6 87 104 A A H X S+ 0 0 44 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.901 108.5 52.3 -65.9 -40.3 94.4 16.7 50.0 88 105 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.966 111.2 46.3 -58.0 -52.4 94.3 19.7 47.7 89 106 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.873 109.4 56.5 -58.2 -36.5 92.7 21.7 50.5 90 107 A S H X S+ 0 0 69 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.910 104.7 50.3 -64.1 -43.6 95.3 20.4 52.9 91 108 A R H <>S+ 0 0 78 -4,-2.5 5,-3.8 2,-0.2 -1,-0.2 0.867 109.7 53.1 -60.1 -36.5 98.1 21.7 50.8 92 109 A F H ><5S+ 0 0 49 -4,-1.7 3,-2.4 3,-0.2 -2,-0.2 0.968 107.2 50.3 -62.3 -52.3 96.3 25.0 50.9 93 110 A D H 3<5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.818 108.0 53.5 -51.4 -37.8 96.1 25.0 54.7 94 111 A A T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.390 126.0-104.3 -80.5 3.4 99.8 24.2 54.9 95 112 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.723 83.2 120.8 78.8 22.2 100.4 27.3 52.7 96 113 A G S + 0 0 81 1,-0.2 3,-0.6 -2,-0.1 -5,-0.1 -0.732 38.1 169.3 -98.8 103.2 99.7 24.9 46.1 98 115 A W G > + 0 0 3 -2,-0.9 3,-2.0 1,-0.2 -1,-0.2 0.680 68.5 82.2 -76.3 -17.9 96.3 23.3 45.8 99 116 A T G > S+ 0 0 8 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.688 71.2 76.7 -68.3 -18.0 96.0 24.5 42.2 100 117 A T G < S+ 0 0 99 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.698 88.6 61.2 -61.5 -19.2 98.1 21.5 41.0 101 118 A S G < S+ 0 0 41 -3,-2.0 -22,-0.5 -4,-0.1 -1,-0.3 0.391 83.3 113.3 -87.8 2.9 94.9 19.4 41.5 102 119 A L < - 0 0 29 -3,-2.1 -24,-0.2 -24,-0.1 -26,-0.0 -0.470 42.2-178.8 -73.3 144.2 93.1 21.5 38.9 103 120 A S E - R 0 77C 45 -26,-2.1 -26,-2.5 -2,-0.2 294,-0.0 -0.982 34.3 -88.8-138.8 153.9 91.9 20.1 35.6 104 121 A P E - R 0 76C 42 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.274 33.3-149.6 -61.8 139.4 90.1 21.7 32.6 105 122 A A E - 0 0 3 -30,-3.0 -30,-0.1 2,-0.3 -26,-0.0 -0.288 35.3-100.4 -87.4-174.2 86.3 21.8 32.5 106 123 A D E S+ 0 0 69 -2,-0.1 -50,-2.4 -50,-0.1 -49,-0.5 0.042 97.7 84.7 -96.5 23.5 84.4 21.7 29.2 107 124 A L E -Q 55 0C 0 -32,-0.4 -32,-2.1 -52,-0.3 -2,-0.3 -0.944 53.8-169.5-127.5 144.1 84.0 25.5 29.4 108 125 A V E -QR 54 74C 0 -54,-2.9 -54,-3.0 -2,-0.4 2,-0.5 -0.903 36.0-103.5-119.7 163.5 86.0 28.6 28.5 109 126 A L E -QR 53 73C 5 -36,-2.4 -36,-0.5 -2,-0.3 -56,-0.3 -0.745 52.2-105.4 -79.5 128.8 85.5 32.3 29.4 110 127 A S - 0 0 1 -58,-1.9 31,-2.4 -2,-0.5 3,-0.1 -0.354 28.7-164.9 -64.6 127.0 84.1 33.8 26.2 111 128 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.612 77.5 13.7 -84.7 -15.1 86.7 35.9 24.4 112 129 A A S S- 0 0 1 27,-0.1 3,-0.4 45,-0.0 27,-0.1 -0.965 73.7-123.8-158.7 149.8 84.1 37.7 22.2 113 130 A A S S+ 0 0 0 -2,-0.3 24,-0.2 1,-0.2 4,-0.1 0.717 101.2 57.6 -71.6 -24.6 80.4 37.9 22.3 114 131 A C S >> S+ 0 0 2 1,-0.2 3,-2.5 2,-0.1 4,-0.6 0.768 78.4 88.0 -84.6 -24.9 79.5 36.5 18.8 115 132 A Y T >4 S+ 0 0 28 -3,-0.4 3,-1.0 1,-0.3 -1,-0.2 0.862 87.6 50.0 -42.2 -52.7 81.2 33.0 19.0 116 133 A P T 3> S+ 0 0 1 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.633 98.7 70.8 -66.7 -9.3 78.3 31.1 20.4 117 134 A V H <> S+ 0 0 0 -3,-2.5 4,-2.7 2,-0.2 5,-0.2 0.815 85.6 63.4 -79.0 -29.3 75.8 32.6 17.8 118 135 A Y H S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.878 113.6 53.3 -60.5 -35.8 76.3 27.1 16.0 120 137 A I H < S+ 0 0 9 -4,-0.9 3,-0.3 2,-0.2 -2,-0.2 0.963 112.5 43.2 -61.8 -47.8 72.9 28.4 17.2 121 138 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.900 110.2 57.5 -62.8 -40.4 72.2 29.9 13.7 122 139 A A H >< S+ 0 0 25 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.812 94.5 65.3 -62.4 -32.4 73.5 26.7 12.0 123 140 A S T 3< S+ 0 0 98 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.463 91.3 69.0 -71.2 3.7 71.0 24.5 13.8 124 141 A R T < S- 0 0 104 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.474 99.8-125.4-102.0 -3.1 68.2 26.3 12.0 125 142 A G < - 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N 0 232B 2 9,-2.5 9,-3.4 -2,-0.5 2,-0.9 -0.974 24.6-125.9-121.8 123.8 89.4 57.4 19.8 224 241 A P + 0 0 35 0, 0.0 4,-0.2 0, 0.0 -34,-0.1 -0.568 49.7 144.6 -67.4 105.5 92.3 59.5 21.1 225 242 A L S S+ 0 0 8 -2,-0.9 3,-0.1 2,-0.5 0, 0.0 0.758 79.1 14.8-102.4 -73.1 92.3 58.9 24.8 226 243 A R S S- 0 0 51 4,-0.4 2,-0.3 1,-0.3 3,-0.0 0.844 140.6 -17.7 -73.0 -34.8 95.9 58.8 26.0 227 244 A S - 0 0 31 3,-0.5 -2,-0.5 -4,-0.2 -1,-0.3 -0.959 55.2-121.1-163.4 158.2 97.3 60.4 22.8 228 245 A E S S+ 0 0 142 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.648 115.7 55.4 -79.3 -15.1 96.2 61.0 19.2 229 246 A E S S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.740 117.3 36.3 -82.4 -25.5 99.2 59.0 18.0 230 247 A Q S S+ 0 0 130 -3,-0.1 -3,-0.5 2,-0.0 -4,-0.4 -0.597 85.1 172.6-126.1 70.3 98.1 56.1 20.1 231 248 A P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.299 30.1-113.8 -81.3 165.7 94.2 56.0 20.0 232 249 A T E -N 223 0B 6 -9,-3.4 -9,-2.5 37,-0.1 2,-0.7 -0.835 17.6-127.5-105.6 130.8 92.0 53.4 21.4 233 250 A A E +N 222 0B 9 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.630 33.6 168.0 -75.6 113.4 89.8 51.1 19.3 234 251 A C E + 0 0 0 -13,-2.7 32,-2.6 -2,-0.7 2,-0.3 0.611 66.4 24.7-102.4 -16.3 86.3 51.5 20.8 235 252 A M E -NO 221 265B 2 -14,-1.0 -14,-2.3 30,-0.2 2,-0.3 -0.987 64.5-160.2-140.9 152.2 84.4 49.7 18.0 236 253 A S E -NO 220 264B 0 28,-2.3 28,-2.7 -2,-0.3 2,-0.5 -0.964 7.8-156.6-131.4 154.6 85.3 47.2 15.3 237 254 A F E -NO 219 263B 0 -18,-2.5 -18,-2.5 -2,-0.3 2,-0.4 -0.973 24.6-167.5-130.1 113.5 83.7 46.3 12.0 238 255 A N E -NO 218 262B 7 24,-3.8 24,-2.2 -2,-0.5 2,-0.5 -0.886 21.5-166.5-120.2 129.5 84.6 42.8 11.0 239 256 A Y E + O 0 261B 28 -22,-3.2 22,-0.2 -2,-0.4 -2,-0.0 -0.964 8.9 176.1-106.9 121.6 84.2 40.8 7.8 240 257 A H > - 0 0 36 20,-2.6 3,-1.6 -2,-0.5 4,-0.2 0.398 22.8-155.6-100.1 -0.6 84.8 37.0 8.3 241 258 A R T 3 - 0 0 76 19,-0.5 19,-1.9 1,-0.2 3,-0.3 -0.328 65.2 -32.1 53.5-135.1 84.0 35.9 4.8 242 259 A E T 3> S+ 0 0 80 17,-0.2 4,-3.4 1,-0.2 5,-0.3 0.399 106.1 111.7 -95.9 1.3 82.9 32.2 4.8 243 260 A H H <> S+ 0 0 85 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.834 87.6 31.5 -42.3 -52.9 85.1 31.2 7.7 244 261 A F H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 6,-0.3 0.813 117.2 57.3 -79.5 -30.7 82.2 30.6 10.2 245 262 A G H >>S+ 0 0 0 13,-0.6 5,-2.2 -4,-0.3 4,-0.8 0.968 112.3 42.1 -61.3 -52.1 79.8 29.5 7.4 246 263 A T H ><5S+ 0 0 89 -4,-3.4 3,-0.7 12,-0.3 -2,-0.2 0.936 115.1 50.1 -53.6 -54.3 82.2 26.7 6.4 247 264 A T H 3<5S+ 0 0 37 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.863 123.7 29.2 -58.4 -41.5 83.0 25.8 10.0 248 265 A W H 3<5S- 0 0 34 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.336 107.7-118.8-105.3 5.0 79.4 25.5 11.1 249 266 A G T <<5 + 0 0 46 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.904 48.6 170.0 58.7 45.1 78.0 24.5 7.8 250 267 A I < - 0 0 2 -5,-2.2 8,-2.6 -6,-0.3 2,-0.5 -0.781 17.6-156.4 -89.1 129.5 75.7 27.4 7.4 251 268 A Q B -V 257 0D 72 -2,-0.5 -124,-2.8 6,-0.2 -86,-0.1 -0.911 6.1-140.0-108.0 130.3 74.1 27.7 3.9 252 269 A D > - 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0 0 27 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.104 32.0 -70.7 89.7 174.3 84.3 64.4 32.6 280 297 A T S S+ 0 0 47 1,-0.1 2,-0.6 -4,-0.1 -1,-0.2 0.237 105.9 86.8 -92.1 11.9 82.8 62.7 35.7 281 298 A D > - 0 0 89 -3,-0.3 3,-1.2 1,-0.1 4,-0.4 -0.909 56.7-170.9-117.9 99.9 80.1 65.4 36.3 282 299 A L G > S+ 0 0 31 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.790 81.0 64.5 -69.1 -31.2 77.1 64.5 34.2 283 300 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.822 103.0 51.3 -62.1 -27.5 75.2 67.8 34.8 284 301 A A G < S+ 0 0 71 -3,-1.2 -1,-0.3 -6,-0.1 -2,-0.2 0.561 82.0 115.7 -85.4 -10.0 78.1 69.5 32.9 285 302 A W S < S- 0 0 5 -3,-1.2 5,-0.1 -4,-0.4 -6,-0.0 -0.291 83.7 -83.3 -60.4 148.5 77.9 67.3 29.9 286 303 A P > - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.139 37.0-119.5 -54.7 147.1 76.9 69.1 26.7 287 304 A A H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.847 112.3 51.3 -57.4 -37.6 73.1 69.5 26.3 288 305 A K H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 111.4 46.7 -72.4 -33.6 73.1 67.5 23.0 289 306 A V H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 6,-0.2 0.916 111.2 51.1 -74.4 -44.7 75.0 64.6 24.5 290 307 A R H <>S+ 0 0 74 -4,-2.6 5,-2.3 1,-0.2 4,-0.3 0.853 113.6 47.5 -56.3 -36.5 72.8 64.5 27.6 291 308 A D H ><5S+ 0 0 131 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.946 107.4 52.5 -72.8 -52.3 69.8 64.5 25.3 292 309 A I H 3<5S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 115.3 44.4 -47.4 -38.0 71.1 61.7 22.9 293 310 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.497 111.1-121.2 -87.8 -8.2 71.6 59.6 26.1 294 311 A G T < 5 0 0 53 -3,-1.5 -3,-0.2 -4,-0.3 -4,-0.1 0.729 360.0 360.0 68.8 22.8 68.3 60.5 27.7 295 312 A L < 0 0 71 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.475 360.0 360.0 -66.8 360.0 69.9 61.9 30.8 296 !* 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 0.0 297 17 B A 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 60.9 14.7 32.4 298 18 B D > - 0 0 24 1,-0.1 3,-0.7 146,-0.0 4,-0.4 -0.356 360.0-129.0 -69.2 143.1 61.3 17.8 34.6 299 19 B P T 3 S+ 0 0 58 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.738 110.5 52.5 -60.5 -25.7 58.3 20.2 35.1 300 20 B L T > S+ 0 0 0 1,-0.2 3,-2.5 2,-0.1 4,-0.3 0.724 85.3 87.7 -82.2 -21.0 60.5 23.1 34.2 301 21 B D G X S+ 0 0 64 -3,-0.7 3,-1.4 1,-0.3 4,-0.3 0.748 77.0 63.7 -54.0 -33.3 61.8 21.6 30.9 302 22 B H G > S+ 0 0 125 -4,-0.4 3,-0.5 -3,-0.4 4,-0.4 0.723 90.5 68.9 -64.8 -20.5 58.9 22.9 28.8 303 23 B L G X> S+ 0 0 0 -3,-2.5 4,-1.5 1,-0.2 3,-0.6 0.724 80.0 80.3 -72.4 -18.0 60.1 26.5 29.6 304 24 B A H <> S+ 0 0 35 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.869 80.0 61.9 -57.5 -45.9 63.2 26.0 27.5 305 25 B D H <4 S+ 0 0 124 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.848 115.4 32.5 -51.8 -40.9 61.7 26.6 24.0 306 26 B K H <4 S+ 0 0 100 -3,-0.6 17,-0.3 -4,-0.4 -1,-0.2 0.727 128.3 35.0 -89.2 -24.5 60.7 30.2 24.9 307 27 B L H < S+ 0 0 0 -4,-1.5 13,-2.4 -3,-0.2 2,-0.3 0.752 111.9 26.3-106.3 -27.7 63.5 31.1 27.3 308 28 B F E < -P 319 0B 12 -4,-2.6 2,-0.3 11,-0.2 11,-0.2 -0.820 47.7-150.1-138.0 164.9 66.8 29.6 26.2 309 29 B H E -P 318 0B 48 9,-1.3 9,-2.2 -2,-0.3 2,-0.1 -0.982 39.5 -99.2-134.8 148.5 69.0 28.1 23.5 310 30 B S E -P 317 0B 85 -2,-0.3 7,-0.1 7,-0.2 4,-0.1 -0.376 26.2-174.7 -65.8 137.6 71.6 25.4 23.9 311 31 B M - 0 0 1 5,-0.8 -256,-0.6 2,-0.3 -253,-0.2 0.157 59.1 -98.8-114.0 14.9 75.2 26.5 24.1 312 32 B G S S+ 0 0 46 1,-0.1 2,-0.3 -258,-0.1 -255,-0.1 0.683 97.2 86.7 81.9 20.8 76.4 22.9 24.1 313 33 B S S > S- 0 0 9 3,-0.5 3,-1.9 -258,-0.1 -2,-0.3 -0.933 81.0-108.9-158.9 127.2 76.8 22.6 27.9 314 34 B D T 3 S+ 0 0 64 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.290 104.3 13.6 -59.1 131.1 74.4 21.8 30.7 315 35 B G T 3 S+ 0 0 1 127,-0.1 135,-2.3 134,-0.1 136,-1.3 0.591 106.1 97.6 80.4 11.3 73.6 24.7 32.9 316 36 B V < + 0 0 2 -3,-1.9 -5,-0.8 133,-0.2 -3,-0.5 -0.869 51.4 164.1-133.9 100.1 74.9 27.2 30.4 317 37 B Y E - P 0 310B 31 -2,-0.4 2,-0.3 134,-0.2 -7,-0.2 -0.898 39.5-121.1-124.8 147.7 72.3 28.8 28.1 318 38 B A E - P 0 309B 0 -9,-2.2 -9,-1.3 -2,-0.3 2,-0.4 -0.609 37.8-129.1 -74.7 142.2 71.8 31.7 25.8 319 39 B R E -JP 49 308B 7 -270,-2.7 -270,-2.1 -2,-0.3 -11,-0.2 -0.824 13.2-134.7-101.2 133.6 68.9 33.9 27.0 320 40 B T E > -J 48 0B 18 -13,-2.4 4,-2.6 -2,-0.4 5,-0.2 -0.378 28.0-108.5 -78.4 162.0 66.1 35.0 24.7 321 41 B A H > S+ 0 0 61 -274,-0.6 4,-2.2 1,-0.2 5,-0.2 0.903 121.1 56.7 -53.9 -41.2 64.8 38.5 24.6 322 42 B L H > S+ 0 0 43 -16,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.941 110.0 43.5 -56.6 -51.0 61.6 37.3 26.4 323 43 B Y H >> S+ 0 0 0 -17,-0.3 4,-2.0 1,-0.2 3,-0.7 0.922 113.3 50.9 -59.4 -47.9 63.7 35.9 29.2 324 44 B E H 3X S+ 0 0 38 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.813 101.3 61.1 -65.6 -31.2 66.0 38.9 29.5 325 45 B S H 3X S+ 0 0 47 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.868 109.1 43.8 -64.8 -31.5 63.1 41.4 29.7 326 46 B I H < S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.907 110.9 53.4 -53.0 -43.1 64.7 45.0 43.4 335 55 B T H >< S+ 0 0 49 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.837 99.7 62.6 -63.5 -32.3 66.5 48.3 42.8 336 56 B S H 3< S+ 0 0 83 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.695 101.5 52.5 -69.0 -15.0 63.3 50.2 43.6 337 57 B H T << S+ 0 0 52 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.257 79.4 132.3-100.6 12.8 63.5 48.7 47.1 338 58 B R < - 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0 0 10 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.727 44.7-131.0 -97.4 146.0 54.8 33.8 43.8 487 207 B T + 0 0 101 -2,-0.3 2,-0.3 34,-0.2 -5,-0.0 -0.850 48.1 147.9 -93.5 121.3 54.0 30.9 46.2 488 208 B F - 0 0 45 -2,-0.6 2,-0.3 32,-0.2 32,-0.2 -0.966 35.6-158.8-150.9 159.6 56.7 30.6 48.8 489 209 B R E -F 519 0A 104 30,-1.8 30,-3.2 -2,-0.3 2,-0.5 -0.953 20.6-132.4-135.1 161.1 57.8 29.8 52.3 490 210 B V E +F 518 0A 43 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.968 34.7 164.6-115.9 129.6 60.7 30.9 54.3 491 211 B D E -F 517 0A 61 26,-1.9 26,-1.8 -2,-0.5 -2,-0.0 -0.925 41.1 -93.2-139.9 159.6 62.7 28.3 56.2 492 212 B Y E +F 516 0A 108 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.330 52.2 170.5 -65.3 161.3 66.0 27.7 57.9 493 213 B A - 0 0 4 22,-1.9 22,-0.4 16,-0.2 2,-0.3 -0.959 25.2-138.0-162.0 170.3 68.7 26.2 55.7 494 214 B S - 0 0 39 -2,-0.3 12,-0.1 20,-0.1 13,-0.1 -0.902 24.9-110.5-133.3 166.6 72.3 25.3 55.4 495 215 B D - 0 0 24 -2,-0.3 2,-2.7 10,-0.1 14,-0.1 -0.707 39.0-104.8 -91.5 150.7 75.0 25.6 52.6 496 216 B P - 0 0 87 0, 0.0 7,-0.1 0, 0.0 6,-0.1 -0.411 47.5-171.8 -76.6 71.3 76.3 22.4 51.0 497 217 B F - 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0 0 71 -4,-3.6 -1,-0.4 -5,-0.2 2,-0.3 -0.582 62.5 -96.7-149.5-152.7 83.9 31.2 78.4 636 26 D A + 0 0 94 -2,-0.2 2,-0.3 -3,-0.1 -8,-0.0 -0.989 35.9 162.4-149.9 140.9 82.0 29.3 81.1 637 27 D A - 0 0 57 -2,-0.3 2,-0.4 -9,-0.1 -6,-0.1 -0.997 40.4-100.8-158.1 157.4 78.5 27.7 81.3 638 28 D D - 0 0 86 -2,-0.3 2,-0.6 1,-0.0 -2,-0.0 -0.700 36.5-146.2 -82.1 127.9 76.2 25.3 83.0 639 29 D V + 0 0 56 -2,-0.4 3,-0.1 -15,-0.0 -15,-0.0 -0.862 20.4 178.7-105.5 114.2 75.8 22.1 81.1 640 30 D T > - 0 0 69 -2,-0.6 3,-0.7 1,-0.1 43,-0.5 -0.843 35.5-132.2-111.6 145.1 72.5 20.3 81.2 641 31 D P T 3 S+ 0 0 72 0, 0.0 43,-1.3 0, 0.0 44,-0.2 0.922 114.1 44.8 -54.5 -45.0 71.3 17.1 79.5 642 32 D Q T 3 S+ 0 0 74 41,-0.1 2,-0.2 40,-0.1 40,-0.0 0.493 96.2 104.5 -80.2 -3.3 68.1 18.9 78.3 643 33 D A S < S- 0 0 29 -3,-0.7 40,-0.5 1,-0.1 2,-0.4 -0.530 74.0-119.4 -82.4 145.7 70.1 22.0 77.3 644 34 D K >> - 0 0 96 -2,-0.2 4,-1.4 38,-0.1 3,-0.7 -0.688 13.2-135.4 -89.1 134.0 70.9 22.8 73.6 645 35 D L H 3>>S+ 0 0 17 36,-5.1 5,-1.9 -2,-0.4 4,-0.8 0.737 104.5 55.2 -62.7 -25.9 74.6 22.9 72.6 646 36 D V H 345S+ 0 0 36 35,-0.2 3,-0.3 3,-0.2 -1,-0.3 0.865 103.6 54.1 -74.5 -36.5 74.0 26.1 70.6 647 37 D D H <45S+ 0 0 110 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 102.4 58.5 -64.8 -34.4 72.5 27.9 73.6 648 38 D V H <5S- 0 0 48 -4,-1.4 -1,-0.2 -11,-0.1 -2,-0.2 0.827 129.0 -98.8 -63.8 -33.2 75.7 27.0 75.6 649 39 D G T <5 + 0 0 46 -4,-0.8 2,-0.5 -3,-0.3 -3,-0.2 0.555 62.0 163.1 124.6 19.3 77.7 28.9 72.9 650 40 D L < - 0 0 14 -5,-1.9 -1,-0.2 4,-0.1 2,-0.1 -0.556 18.9-163.1 -73.8 117.4 79.0 26.2 70.6 651 41 D T > - 0 0 38 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.248 35.7 -95.9 -84.5 179.9 80.1 27.8 67.3 652 42 D S H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.944 127.1 47.5 -67.5 -47.7 80.7 25.8 64.1 653 43 D M H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.840 113.9 52.3 -61.4 -31.5 84.5 25.5 64.6 654 44 D D H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 107.2 48.4 -66.6 -48.2 83.5 24.4 68.1 655 45 D M H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.836 113.5 50.9 -62.3 -32.0 81.0 21.8 66.9 656 46 D V H X S+ 0 0 20 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.959 113.3 42.4 -65.2 -54.4 83.9 20.7 64.6 657 47 D N H X S+ 0 0 89 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.732 114.1 53.3 -65.4 -24.1 86.4 20.5 67.5 658 48 D L H X S+ 0 0 5 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.767 105.6 52.6 -81.9 -28.5 83.8 18.8 69.7 659 49 D M H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.843 110.1 49.3 -71.0 -34.0 83.1 16.2 67.1 660 50 D L H X S+ 0 0 84 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.697 109.2 51.6 -78.4 -23.4 86.8 15.4 67.0 661 51 D G H X S+ 0 0 17 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.807 110.7 48.5 -78.2 -33.9 87.0 15.2 70.8 662 52 D V H X S+ 0 0 2 -4,-1.4 4,-1.3 2,-0.2 6,-0.2 0.856 112.1 48.2 -73.3 -36.9 84.1 12.7 70.9 663 53 D E H <>S+ 0 0 21 -4,-1.6 5,-0.6 1,-0.2 -1,-0.2 0.727 115.3 45.5 -75.1 -22.7 85.7 10.6 68.1 664 54 D A H <5S+ 0 0 78 -4,-0.7 -2,-0.2 3,-0.2 -1,-0.2 0.757 110.4 52.1 -90.8 -29.2 89.1 10.6 69.9 665 55 D E H <5S+ 0 0 90 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.860 124.6 24.9 -74.2 -39.5 87.8 9.8 73.4 666 56 D F T <5S- 0 0 44 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 0.248 100.8-130.7-111.3 11.9 85.7 6.7 72.5 667 57 D D T 5 + 0 0 140 1,-0.1 2,-0.3 -4,-0.1 -3,-0.2 0.845 64.2 116.5 28.2 64.1 87.7 5.8 69.4 668 58 D F < - 0 0 59 -5,-0.6 2,-0.4 -6,-0.2 -1,-0.1 -0.790 62.4-118.3-129.7-178.3 84.8 5.3 67.0 669 59 D T - 0 0 101 -2,-0.3 -5,-0.0 -3,-0.1 -6,-0.0 -0.976 23.7-123.2-129.0 119.1 83.9 7.2 63.8 670 60 D I - 0 0 12 -2,-0.4 5,-0.1 -11,-0.2 20,-0.0 -0.435 39.5-146.5 -63.0 123.4 80.6 9.1 63.5 671 61 D P > - 0 0 79 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.078 24.4 -58.0 -86.5-169.5 78.7 7.6 60.5 672 62 D Q T 3 S+ 0 0 91 1,-0.2 -172,-0.0 2,-0.2 0, 0.0 -0.356 115.9 8.7 -75.4 149.9 76.4 8.8 57.7 673 63 D S T 3 S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.570 109.5 89.6 56.0 9.8 73.0 10.4 58.4 674 64 D E < + 0 0 75 -3,-0.9 2,-1.3 1,-0.1 -2,-0.2 0.461 62.3 84.0-109.1 -9.1 74.1 10.4 62.1 675 65 D I S S+ 0 0 12 -4,-0.3 -2,-0.2 -5,-0.1 -1,-0.1 -0.716 71.6 128.6 -89.2 80.6 75.7 13.9 61.7 676 66 D T S > S- 0 0 35 -2,-1.3 4,-0.5 1,-0.1 5,-0.1 -0.924 73.8-116.3-137.5 157.4 72.3 15.7 62.3 677 67 D P H >> S+ 0 0 54 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.859 115.6 60.7 -62.8 -34.8 70.9 18.5 64.4 678 68 D E H >4 S+ 0 0 55 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.970 111.8 36.5 -50.8 -59.0 68.6 15.9 66.0 679 69 D N H 34 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.1 10,-0.2 0.472 123.0 47.4 -75.1 -1.1 71.6 13.9 67.3 680 70 D F H << S+ 0 0 7 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.352 83.3 82.7-128.9 9.3 73.6 17.0 68.0 681 71 D Q S << S+ 0 0 79 -4,-1.0 -36,-5.1 -3,-0.7 2,-0.3 0.960 99.7 17.8 -75.8 -53.1 71.4 19.6 70.0 682 72 D S S >> S- 0 0 10 -4,-0.4 4,-1.7 -38,-0.3 3,-1.6 -0.862 70.9-121.8-120.6 153.1 71.8 18.2 73.5 683 73 D V T 34 S+ 0 0 31 -43,-0.5 4,-0.4 -40,-0.5 -41,-0.1 0.818 116.5 64.7 -58.0 -28.1 74.2 15.8 75.2 684 74 D E T 3> S+ 0 0 111 -43,-1.3 4,-0.8 -41,-0.3 -1,-0.3 0.740 106.6 39.9 -66.3 -25.5 71.0 13.9 76.0 685 75 D T T <4 S+ 0 0 37 -3,-1.6 4,-0.3 -44,-0.2 -1,-0.2 0.621 109.3 59.4 -95.6 -18.7 70.6 13.4 72.2 686 76 D L T X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 5,-0.2 0.510 96.4 67.9 -78.2 -9.9 74.4 12.8 72.0 687 77 D E H > S+ 0 0 49 -4,-0.4 4,-2.6 -5,-0.2 -2,-0.2 0.984 98.6 44.8 -64.9 -65.0 73.5 10.0 74.4 688 78 D R H < S+ 0 0 86 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.589 111.5 61.0 -58.0 -11.6 71.6 8.0 71.7 689 79 D M H >4 S+ 0 0 26 -4,-0.3 3,-0.9 -10,-0.2 4,-0.5 0.969 111.7 29.8 -76.1 -72.4 74.6 8.8 69.4 690 80 D V H >< S+ 0 0 19 -4,-1.6 3,-0.9 1,-0.3 2,-0.7 0.858 121.3 57.8 -57.2 -35.7 77.5 7.1 71.2 691 81 D M T 3< S+ 0 0 84 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.351 88.8 70.0 -96.4 51.6 75.1 4.6 72.6 692 82 D T T < 0 0 75 -3,-0.9 -1,-0.2 -2,-0.7 -2,-0.2 0.319 360.0 360.0-127.5 -17.1 73.7 3.3 69.3 693 83 D Q < 0 0 127 -3,-0.9 -4,-0.0 -4,-0.5 -3,-0.0 -0.647 360.0 360.0 178.4 360.0 77.1 1.6 68.6 694 !* 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 0.0 695 1001 A X 0 0 36 0, 0.0 -580,-0.1 0, 0.0 -581,-0.1 0.000 360.0 360.0 360.0 360.0 84.2 41.0 17.3 696 !* 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 0.0 697 402 B X 0 0 42 0, 0.0 -287,-0.1 0, 0.0 -285,-0.1 0.000 360.0 360.0 360.0 360.0 75.1 34.9 49.4