==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-04 1W1A . COMPND 2 MOLECULE: PROBABLE POLYSACCHARIDE DEACETYLASE PDAA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.E.BLAIR,D.M.F.VAN AALTEN . 470 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 1 0.2 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 . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 2 0 0 7 5 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 24 1 V 0 0 96 0, 0.0 148,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 80.7 2.0 19.9 2 25 1 P - 0 0 73 0, 0.0 147,-2.1 0, 0.0 146,-0.4 -0.218 360.0-170.2 -57.0 135.0 79.5 1.2 16.3 3 26 1 N + 0 0 67 145,-0.2 3,-0.0 144,-0.2 144,-0.0 -0.118 33.2 144.2-117.3 32.3 80.6 3.5 13.5 4 27 1 E - 0 0 147 1,-0.1 144,-0.3 0, 0.0 142,-0.1 -0.598 57.0-113.3 -71.6 125.9 78.3 2.0 10.8 5 28 1 P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 142,-0.2 -0.318 35.7-170.2 -62.0 144.2 77.1 4.8 8.6 6 29 1 I E -A 146 0A 44 140,-2.5 140,-2.9 -3,-0.0 2,-0.6 -0.997 14.1-147.6-136.5 137.2 73.4 5.5 8.8 7 30 1 N E -A 145 0A 113 -2,-0.4 138,-0.2 138,-0.2 2,-0.2 -0.931 26.1-122.4-105.8 119.5 71.4 7.8 6.5 8 31 1 W + 0 0 18 136,-2.8 2,-0.3 -2,-0.6 -2,-0.0 -0.450 56.4 133.1 -63.3 129.2 68.6 9.5 8.3 9 32 1 G + 0 0 39 -2,-0.2 2,-0.3 12,-0.1 -2,-0.0 -0.968 24.9 176.9-167.7 164.8 65.4 8.6 6.4 10 33 1 F - 0 0 41 -2,-0.3 2,-0.3 3,-0.0 11,-0.1 -0.977 44.3 -81.0-169.8 160.8 61.8 7.4 7.0 11 34 1 K - 0 0 184 9,-0.5 9,-0.4 -2,-0.3 3,-0.1 -0.603 63.5-105.9 -72.2 132.4 58.6 6.6 5.3 12 35 1 R - 0 0 159 -2,-0.3 8,-0.1 1,-0.1 -1,-0.1 -0.037 41.9 -83.5 -55.2 162.8 56.9 10.0 4.7 13 36 1 S - 0 0 12 152,-0.3 2,-0.4 176,-0.1 -1,-0.1 -0.396 45.8-161.9 -70.1 144.1 53.9 11.0 6.8 14 37 1 V B > +B 17 0B 89 3,-0.5 3,-2.2 4,-0.1 175,-0.0 -0.974 66.5 3.2-132.0 144.3 50.5 9.8 5.7 15 38 1 N T 3 S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 174,-0.1 0.765 125.3 -68.5 55.8 24.7 47.0 11.0 6.6 16 39 1 H T 3 S+ 0 0 75 172,-0.4 -1,-0.3 1,-0.3 173,-0.1 0.774 101.4 138.2 65.6 27.3 48.7 13.8 8.6 17 40 1 Q B < -B 14 0B 117 -3,-2.2 -3,-0.5 174,-0.2 -1,-0.3 -0.766 63.8 -95.9-101.2 148.0 49.9 11.2 11.1 18 41 1 P - 0 0 46 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.314 41.7-124.6 -61.3 145.7 53.5 11.4 12.5 19 42 1 P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.325 17.7-137.8 -82.5 174.7 55.9 9.1 10.6 20 43 1 D - 0 0 99 -9,-0.4 -9,-0.5 -8,-0.1 3,-0.1 -0.971 10.3-156.1-141.0 124.9 58.0 6.5 12.4 21 44 1 A - 0 0 13 -2,-0.4 4,-0.5 1,-0.2 3,-0.1 0.493 54.2-110.5 -74.5 -4.9 61.7 5.7 11.7 22 45 1 G > - 0 0 24 1,-0.1 4,-2.5 2,-0.1 -1,-0.2 -0.160 35.9 -67.7 96.1 167.0 61.3 2.2 13.1 23 46 1 K H > S+ 0 0 172 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.863 126.8 53.1 -62.5 -41.4 62.5 0.5 16.2 24 47 1 Q H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 115.8 38.5 -65.1 -44.9 66.2 0.5 15.3 25 48 1 L H > S+ 0 0 15 -4,-0.5 4,-4.3 2,-0.2 5,-0.3 0.948 117.2 51.0 -69.9 -47.7 66.4 4.2 14.6 26 49 1 N H X S+ 0 0 42 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.955 113.3 44.7 -53.0 -54.2 64.1 5.1 17.5 27 50 1 S H X S+ 0 0 59 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.922 119.1 42.2 -57.6 -46.7 66.1 3.0 20.0 28 51 1 L H X S+ 0 0 24 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.929 115.8 49.4 -66.2 -44.5 69.4 4.4 18.7 29 52 1 I H ><>S+ 0 0 13 -4,-4.3 5,-2.3 1,-0.2 3,-1.2 0.957 112.9 46.7 -58.3 -52.6 68.1 7.9 18.4 30 53 1 E H ><5S+ 0 0 133 -4,-3.4 3,-1.8 -5,-0.3 -1,-0.2 0.854 100.5 68.2 -58.2 -38.9 66.7 7.8 21.9 31 54 1 K H 3<5S+ 0 0 116 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.783 111.8 32.1 -54.3 -29.8 69.9 6.4 23.3 32 55 1 Y T <<5S- 0 0 19 -3,-1.2 129,-0.3 -4,-0.8 -1,-0.3 0.140 114.6-109.0-115.6 18.2 71.7 9.7 22.5 33 56 1 D T < 5S+ 0 0 94 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.741 71.4 141.0 62.7 25.9 68.8 12.1 23.1 34 57 1 A < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.657 27.5-176.3 -94.1 154.8 68.4 12.9 19.4 35 58 1 F B -c 162 0C 22 126,-1.4 128,-2.6 -2,-0.3 3,-0.1 -0.957 34.6-162.9-147.9 166.4 65.0 13.3 17.9 36 59 1 Y S S+ 0 0 15 -2,-0.3 159,-0.5 126,-0.2 2,-0.3 0.324 80.1 52.8-128.6 -1.9 63.1 13.9 14.7 37 60 1 L - 0 0 33 157,-0.1 157,-0.2 127,-0.1 -1,-0.1 -0.964 61.1-153.9-136.7 152.1 59.8 14.9 16.2 38 61 1 G - 0 0 16 155,-3.1 2,-0.8 -2,-0.3 -2,-0.1 0.100 67.5 -28.6 -96.5-144.1 58.5 17.5 18.7 39 62 1 N > - 0 0 61 1,-0.1 3,-0.9 155,-0.1 5,-0.4 -0.644 53.0-173.3 -80.8 109.9 55.3 17.1 20.8 40 63 1 T T 3 S+ 0 0 44 -2,-0.8 -1,-0.1 1,-0.2 154,-0.1 0.411 74.4 77.4 -81.1 1.0 52.9 15.0 18.8 41 64 1 K T 3 S+ 0 0 171 152,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.322 97.5 49.6 -92.1 7.5 50.1 15.5 21.3 42 65 1 E S < S- 0 0 56 -3,-0.9 2,-2.9 2,-0.1 151,-0.7 -0.999 92.5-105.5-147.6 148.8 49.5 19.0 19.9 43 66 1 K S S+ 0 0 99 -2,-0.3 179,-2.4 149,-0.2 2,-0.4 -0.411 71.6 138.4 -71.0 73.5 49.0 20.7 16.6 44 67 1 T E -d 222 0D 4 -2,-2.9 149,-1.6 -5,-0.4 150,-0.7 -0.956 33.7-169.7-126.1 140.6 52.5 22.1 16.6 45 68 1 I E -de 223 194D 0 177,-2.3 179,-2.6 -2,-0.4 2,-0.5 -0.972 9.4-152.0-128.7 144.3 55.1 22.4 13.9 46 69 1 Y E -de 224 195D 2 148,-2.6 150,-2.0 -2,-0.3 2,-0.5 -0.965 12.4-145.3-118.7 118.0 58.8 23.4 14.1 47 70 1 L E + e 0 196D 1 177,-0.6 26,-1.2 -2,-0.5 2,-0.3 -0.709 24.2 169.3 -88.4 127.9 60.5 25.1 11.1 48 71 1 T E -fe 73 197D 0 148,-1.1 150,-2.2 -2,-0.5 2,-0.3 -0.963 12.3-162.9-132.0 150.8 64.2 24.2 10.5 49 72 1 F E -fe 74 198D 1 24,-2.8 26,-3.6 -2,-0.3 2,-0.5 -0.934 13.3-144.0-132.0 153.9 66.3 25.1 7.5 50 73 1 D E -f 75 0D 18 148,-1.7 2,-0.5 -2,-0.3 150,-0.4 -0.985 19.5-167.3-115.8 128.1 69.7 23.7 6.2 51 74 1 N E +f 76 0D 2 24,-3.3 26,-1.4 -2,-0.5 29,-0.2 -0.902 26.8 151.5-125.2 105.5 71.8 26.4 4.6 52 75 1 G S S- 0 0 31 -2,-0.5 2,-0.3 1,-0.4 28,-0.2 0.764 75.0 -12.0 -97.7 -33.4 74.8 25.4 2.5 53 76 1 Y S S- 0 0 97 26,-0.1 2,-0.5 27,-0.1 -1,-0.4 -0.956 71.7-101.9-158.6 169.1 75.0 28.4 0.2 54 77 1 E + 0 0 36 -2,-0.3 147,-0.1 -3,-0.1 -3,-0.0 -0.860 26.5 172.4-106.9 131.8 72.8 31.4 -0.9 55 78 1 N - 0 0 67 -2,-0.5 -1,-0.1 145,-0.4 146,-0.0 0.076 66.8 -87.5-120.1 18.0 70.8 31.5 -4.1 56 79 1 G S S+ 0 0 53 1,-0.0 4,-0.2 4,-0.0 145,-0.1 0.555 105.0 86.0 93.5 11.3 69.0 34.8 -3.3 57 80 1 Y > + 0 0 50 143,-0.7 4,-2.6 2,-0.1 5,-0.2 0.501 55.6 92.3-120.3 -6.6 65.9 34.0 -1.3 58 81 1 T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 86.0 55.1 -58.7 -35.9 66.9 33.8 2.3 59 82 1 P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.945 109.9 46.5 -63.0 -43.2 66.1 37.5 2.9 60 83 1 K H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 111.0 53.1 -62.3 -40.8 62.5 36.9 1.6 61 84 1 V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 110.1 47.9 -58.6 -43.1 62.4 33.8 3.8 62 85 1 L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.884 109.8 51.8 -65.5 -38.8 63.4 35.9 6.8 63 86 1 D H X S+ 0 0 83 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.903 109.8 50.5 -64.6 -39.3 60.8 38.6 5.9 64 87 1 V H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.947 109.9 48.7 -62.8 -48.2 58.1 35.9 5.8 65 88 1 L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.901 112.0 50.0 -58.6 -41.2 59.1 34.4 9.2 66 89 1 K H ><5S+ 0 0 117 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.928 107.1 54.8 -62.7 -45.9 59.0 37.9 10.6 67 90 1 K H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.934 116.3 36.2 -52.4 -51.8 55.6 38.5 9.1 68 91 1 H T 3<5S- 0 0 17 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.412 107.6-127.2 -83.0 0.4 54.1 35.4 10.8 69 92 1 R T < 5 + 0 0 227 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.897 56.9 151.8 52.4 44.4 56.2 36.0 13.9 70 93 1 V < - 0 0 6 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.2 -0.852 43.1-131.1-106.1 141.5 57.5 32.4 13.6 71 94 1 T - 0 0 46 -2,-0.4 -24,-0.4 152,-0.3 2,-0.2 -0.825 23.3-161.6 -98.8 116.6 61.0 31.4 14.9 72 95 1 G - 0 0 0 -2,-0.7 25,-3.0 153,-0.1 2,-0.5 -0.472 13.5-142.9 -91.7 160.8 63.2 29.4 12.5 73 96 1 T E -fg 48 97D 0 -26,-1.2 -24,-2.8 23,-0.2 2,-0.6 -0.962 19.2-163.6-125.0 110.3 66.2 27.2 13.2 74 97 1 F E -fg 49 98D 0 23,-3.0 25,-2.5 -2,-0.5 2,-0.9 -0.869 8.8-152.9-102.1 119.0 68.8 27.5 10.5 75 98 1 F E -fg 50 99D 0 -26,-3.6 -24,-3.3 -2,-0.6 2,-0.2 -0.802 25.3-168.7 -91.5 106.9 71.5 24.9 10.3 76 99 1 V E -fg 51 100D 0 23,-1.7 25,-2.4 -2,-0.9 2,-0.2 -0.656 14.6-144.0-102.2 155.0 74.5 26.6 8.6 77 100 1 T > - 0 0 6 -26,-1.4 4,-2.1 -2,-0.2 26,-0.3 -0.528 34.8-101.2-103.5 173.6 77.8 25.4 7.2 78 101 1 G H > S+ 0 0 0 25,-1.2 4,-2.6 24,-0.9 5,-0.2 0.919 121.9 48.9 -62.8 -45.6 81.2 27.2 7.3 79 102 1 H H > S+ 0 0 99 24,-0.8 4,-2.8 1,-0.2 5,-0.2 0.919 109.3 53.1 -61.1 -43.0 80.9 28.4 3.7 80 103 1 F H > S+ 0 0 0 -29,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.933 111.4 45.0 -58.3 -48.4 77.4 29.8 4.3 81 104 1 V H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.945 116.6 45.3 -60.5 -49.0 78.5 31.8 7.4 82 105 1 K H < S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 119.0 42.8 -64.2 -35.5 81.6 33.1 5.7 83 106 1 D H < S+ 0 0 80 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.804 123.6 33.0 -82.4 -30.4 79.7 33.9 2.5 84 107 1 Q >X + 0 0 48 -4,-2.7 4,-2.2 -5,-0.2 3,-0.8 -0.293 63.4 152.9-124.0 49.7 76.6 35.5 4.1 85 108 1 P H 3> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.835 77.4 51.2 -46.2 -40.9 77.7 37.2 7.3 86 109 1 Q H 3> S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.858 108.1 50.7 -69.0 -35.5 74.8 39.7 7.1 87 110 1 L H <> S+ 0 0 12 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.888 109.5 51.6 -66.9 -38.0 72.2 37.0 6.7 88 111 1 I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.886 110.4 50.4 -63.8 -36.6 73.7 35.2 9.7 89 112 1 K H X S+ 0 0 41 -4,-1.7 4,-3.5 -5,-0.3 -2,-0.2 0.866 109.5 48.9 -69.7 -39.8 73.3 38.6 11.5 90 113 1 R H X S+ 0 0 53 -4,-2.2 4,-3.0 2,-0.2 6,-0.3 0.933 108.1 53.9 -66.1 -45.1 69.6 39.0 10.5 91 114 1 M H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 -2,-0.2 0.939 116.4 40.9 -50.5 -47.7 68.8 35.5 11.7 92 115 1 S H ><5S+ 0 0 14 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.961 115.1 48.1 -65.0 -57.0 70.4 36.5 15.0 93 116 1 D H 3<5S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.2 55.8 -57.3 -29.3 68.9 40.0 15.2 94 117 1 E T 3<5S- 0 0 48 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.150 119.8-100.9 -96.6 22.9 65.5 38.6 14.4 95 118 1 G T < 5S+ 0 0 51 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.535 74.5 139.1 78.0 8.7 65.2 36.0 17.1 96 119 1 H < - 0 0 9 -5,-2.5 2,-0.4 -6,-0.3 -1,-0.2 -0.388 50.8-116.4 -86.6 163.1 66.0 32.9 15.1 97 120 1 I E -g 73 0D 4 -25,-3.0 -23,-3.0 -2,-0.1 2,-0.7 -0.814 15.8-146.8-101.9 136.4 68.2 30.0 16.1 98 121 1 I E -g 74 0D 15 -2,-0.4 40,-0.3 -25,-0.2 37,-0.2 -0.889 19.8-169.2-105.9 109.6 71.5 29.1 14.4 99 122 1 G E -g 75 0D 2 -25,-2.5 -23,-1.7 -2,-0.7 2,-0.5 -0.315 25.0-103.0 -88.4 174.3 72.2 25.4 14.3 100 123 1 N E +gh 76 139D 1 38,-2.8 40,-2.6 -25,-0.2 -23,-0.2 -0.879 35.9 165.9-106.5 126.2 75.4 23.6 13.3 101 124 1 H - 0 0 10 -25,-2.4 -23,-0.1 -2,-0.5 4,-0.1 0.018 61.9 -99.8-121.4 24.0 75.7 21.9 9.9 102 125 1 S - 0 0 0 -26,-0.2 -24,-0.9 -25,-0.1 -1,-0.2 0.376 29.9 -95.1 70.2 155.9 79.5 21.6 10.2 103 126 1 F S S+ 0 0 21 16,-1.4 -25,-1.2 -26,-0.3 -24,-0.8 0.936 118.7 19.6 -69.7 -49.3 82.2 23.8 8.7 104 127 1 H S S- 0 0 126 -26,-0.2 -1,-0.2 -27,-0.1 -2,-0.1 0.346 99.9-122.9-102.7 3.5 83.0 21.9 5.5 105 128 1 H + 0 0 61 -4,-0.1 -3,-0.1 14,-0.1 -2,-0.0 0.885 54.8 162.6 56.6 43.4 79.9 19.8 5.4 106 129 1 P - 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0 0 2 0, 0.0 3,-1.8 0, 0.0 5,-0.1 -0.223 29.7-104.6 -53.3 135.5 64.5 73.3 13.2 378 165 2 P G > S+ 0 0 1 0, 0.0 3,-2.1 0, 0.0 -34,-0.2 -0.314 104.9 6.9 -61.7 148.3 64.5 74.7 16.8 379 166 2 R G 3 S- 0 0 158 1,-0.3 3,-0.1 -3,-0.1 -135,-0.1 0.556 118.3 -89.6 54.5 6.7 63.5 72.0 19.4 380 167 2 G G < S+ 0 0 5 -3,-1.8 -136,-2.9 1,-0.3 2,-0.5 0.634 90.3 141.6 68.1 11.7 63.6 69.6 16.5 381 168 2 V E < +K 243 0E 2 -3,-2.1 -37,-0.4 -138,-0.2 -1,-0.3 -0.752 16.9 143.5 -93.1 130.5 59.9 70.5 16.0 382 169 2 F E -K 242 0E 5 -140,-3.0 -140,-2.4 -2,-0.5 2,-0.3 -0.846 28.2-152.8-148.0-177.9 58.6 70.8 12.5 383 170 2 S > - 0 0 0 -2,-0.3 4,-2.7 -142,-0.2 5,-0.2 -0.928 41.3 -97.9-153.6 169.2 55.6 70.1 10.3 384 171 2 E H > S+ 0 0 36 -146,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.895 127.5 54.6 -60.0 -38.7 54.9 69.4 6.6 385 172 2 Y H > S+ 0 0 45 -147,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.946 108.7 46.5 -57.4 -52.4 54.1 73.1 6.4 386 173 2 V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.917 114.8 45.6 -59.2 -48.9 57.5 74.0 7.9 387 174 2 L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.979 116.4 46.1 -58.5 -55.7 59.4 71.7 5.6 388 175 2 K H X S+ 0 0 96 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.926 116.3 45.2 -52.0 -51.1 57.5 72.8 2.6 389 176 2 E H X S+ 0 0 26 -4,-3.2 4,-0.9 -5,-0.2 -1,-0.2 0.873 114.6 45.6 -64.8 -41.4 57.8 76.4 3.4 390 177 2 T H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 -1,-0.2 0.834 111.0 54.2 -72.2 -31.3 61.5 76.4 4.3 391 178 2 K H ><5S+ 0 0 89 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.849 105.6 53.9 -67.8 -34.6 62.3 74.3 1.2 392 179 2 R H 3<5S+ 0 0 162 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.778 103.9 55.6 -70.0 -26.8 60.5 77.0 -0.8 393 180 2 L T 3<5S- 0 0 38 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.481 128.2-101.4 -83.0 -2.9 62.8 79.6 0.9 394 181 2 G T < 5S+ 0 0 47 -3,-1.1 -21,-0.3 1,-0.3 2,-0.3 0.462 73.3 145.8 98.3 4.3 65.7 77.5 -0.5 395 182 2 Y < - 0 0 20 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.3 -0.542 43.7-146.0 -86.8 142.9 66.7 75.7 2.7 396 183 2 Q E -s 374 0G 32 -23,-2.7 -21,-3.0 -2,-0.3 2,-0.5 -0.894 23.2-141.1 -99.7 112.1 68.0 72.2 3.1 397 184 2 T E -s 375 0G 5 -2,-0.7 -126,-1.8 -129,-0.3 2,-0.5 -0.676 18.2-165.7 -82.2 122.3 66.6 70.8 6.4 398 185 2 V B +l 271 0F 0 -23,-2.9 -126,-0.2 -2,-0.5 2,-0.1 -0.919 12.0 171.7-112.9 123.6 69.1 68.7 8.3 399 186 2 F - 0 0 1 -128,-3.2 2,-0.3 -2,-0.5 -127,-0.1 -0.075 24.8-120.7-103.5-150.1 68.2 66.3 11.1 400 187 2 W - 0 0 31 -2,-0.1 32,-0.2 1,-0.1 3,-0.1 -0.939 16.8-156.4-152.2 171.2 70.5 63.8 12.9 401 188 2 S S S+ 0 0 0 30,-2.7 2,-0.4 -2,-0.3 -152,-0.4 0.330 84.3 51.4-132.9 -2.4 71.0 60.2 13.7 402 189 2 V B +t 432 0G 0 29,-1.4 31,-2.7 -154,-0.1 2,-0.3 -0.964 63.8 134.9-142.9 122.8 73.2 60.5 16.7 403 190 2 A + 0 0 21 -2,-0.4 2,-0.3 29,-0.2 31,-0.1 -0.971 16.1 171.9-157.4 162.6 72.6 62.6 19.8 404 191 2 F - 0 0 12 29,-0.4 2,-1.4 -2,-0.3 14,-0.0 -0.946 50.9 -66.0-162.9 176.5 72.7 62.5 23.6 405 192 2 V S S+ 0 0 50 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.596 71.0 130.0 -81.1 92.8 72.3 64.7 26.6 406 193 2 D + 0 0 8 -2,-1.4 32,-0.6 6,-0.1 31,-0.4 -0.076 61.6 70.2-129.0 29.1 75.3 67.0 26.4 407 194 2 W + 0 0 122 30,-0.1 2,-1.0 29,-0.1 5,-0.1 0.236 62.8 109.5-130.3 7.5 73.3 70.2 26.9 408 195 2 K > - 0 0 84 3,-0.2 3,-1.2 1,-0.2 5,-0.1 -0.774 42.0-176.2 -93.0 97.9 72.3 69.9 30.5 409 196 2 I G > S+ 0 0 67 -2,-1.0 3,-0.6 1,-0.3 -1,-0.2 0.827 80.9 55.2 -61.2 -34.8 74.3 72.5 32.3 410 197 2 N G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.563 117.7 35.0 -80.1 -6.0 73.1 71.6 35.8 411 198 2 N G < S+ 0 0 81 -3,-1.2 2,-1.3 0, 0.0 -1,-0.3 -0.461 70.8 173.8-144.5 66.7 74.2 68.0 35.3 412 199 2 Q < - 0 0 47 -3,-0.6 -3,-0.1 1,-0.2 -6,-0.1 -0.630 10.7-169.3 -81.5 95.4 77.4 67.9 33.3 413 200 2 K - 0 0 112 -2,-1.3 4,-0.3 1,-0.2 3,-0.2 0.618 32.6-131.2 -61.6 -18.4 78.4 64.3 33.3 414 201 2 G > - 0 0 8 25,-0.2 4,-1.3 1,-0.2 5,-0.2 -0.330 35.6 -39.2 101.1 179.1 81.9 64.7 31.9 415 202 2 K H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.892 123.8 50.2 -54.4 -56.9 84.2 63.3 29.2 416 203 2 K H > S+ 0 0 148 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.890 105.8 57.0 -53.8 -45.7 83.6 59.6 29.4 417 204 2 Y H > S+ 0 0 72 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.898 114.8 37.6 -53.8 -45.1 79.8 59.9 29.2 418 205 2 A H X S+ 0 0 8 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.918 116.4 51.5 -73.0 -48.0 80.0 61.9 25.9 419 206 2 Y H X S+ 0 0 48 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.952 108.8 51.1 -55.0 -53.3 82.9 59.9 24.4 420 207 2 D H X S+ 0 0 49 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.908 109.0 51.2 -53.6 -46.2 81.2 56.5 25.1 421 208 2 H H X S+ 0 0 34 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.2 0.910 109.2 50.2 -58.8 -43.5 78.0 57.7 23.3 422 209 2 M H < S+ 0 0 5 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.860 115.9 42.9 -64.9 -32.9 80.0 58.8 20.3 423 210 2 I H < S+ 0 0 28 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.878 118.3 44.5 -78.2 -40.9 81.8 55.4 20.1 424 211 2 K H < S+ 0 0 144 -4,-3.1 -172,-0.3 -5,-0.2 -2,-0.2 0.881 114.4 45.2 -72.8 -42.7 78.7 53.4 20.8 425 212 2 Q S < S+ 0 0 8 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 0.493 83.9 129.6 -81.6 -3.4 76.2 55.1 18.5 426 213 2 A + 0 0 0 -4,-0.3 -3,-0.1 -3,-0.2 -145,-0.1 -0.249 27.1 152.2 -55.8 129.9 78.7 55.2 15.6 427 214 2 H > - 0 0 0 -147,-0.1 3,-1.8 -178,-0.0 -174,-0.2 -0.982 50.8 -75.0-155.2 157.8 77.3 53.9 12.3 428 215 2 P T 3 S+ 0 0 29 0, 0.0 -149,-0.2 0, 0.0 -152,-0.1 -0.309 117.2 11.5 -57.8 136.0 77.8 54.4 8.6 429 216 2 G T 3 S+ 0 0 0 -149,-1.5 -155,-3.3 -151,-0.6 -153,-0.2 0.568 91.2 167.3 72.8 9.8 76.4 57.6 7.2 430 217 2 A E < -Mo 273 281G 0 -3,-1.8 -148,-3.1 -150,-0.7 2,-0.7 -0.280 27.8-153.9 -62.5 135.8 75.8 58.9 10.8 431 218 2 I E - o 0 282G 0 -159,-0.5 -30,-2.7 -150,-0.2 -29,-1.4 -0.939 16.3-150.6-113.2 108.0 75.0 62.6 11.2 432 219 2 Y E -to 402 283G 2 -150,-2.6 -148,-2.2 -2,-0.7 2,-0.6 -0.609 8.7-159.3 -82.7 137.2 76.1 63.6 14.7 433 220 2 L E + o 0 284G 8 -31,-2.7 -29,-0.4 -2,-0.3 2,-0.3 -0.962 25.1 170.0-114.6 108.5 74.4 66.4 16.6 434 221 2 L E - o 0 285G 7 -150,-2.4 -148,-1.9 -2,-0.6 2,-0.3 -0.829 24.0-149.4-119.8 159.8 76.7 67.7 19.3 435 222 2 H - 0 0 38 -2,-0.3 -148,-0.1 -150,-0.2 -28,-0.0 -0.791 7.0-150.5-118.8 163.2 76.6 70.7 21.6 436 223 2 T S S+ 0 0 0 -150,-0.4 -143,-0.6 -2,-0.3 -145,-0.3 0.022 76.0 86.3-125.7 23.4 79.7 72.6 22.9 437 224 2 V + 0 0 10 -31,-0.4 2,-0.2 -144,-0.1 -30,-0.1 0.670 67.4 91.5 -97.6 -21.8 78.4 73.8 26.3 438 225 2 S S > S- 0 0 12 -32,-0.6 3,-2.0 1,-0.1 4,-0.3 -0.511 87.5 -88.9 -84.5 145.4 79.2 70.8 28.5 439 226 2 R T 3 S- 0 0 109 1,-0.3 -25,-0.2 -2,-0.2 -1,-0.1 -0.147 106.8 -1.2 -49.6 132.6 82.3 70.1 30.5 440 227 2 D T 3> S+ 0 0 57 1,-0.1 4,-2.9 -26,-0.1 -1,-0.3 0.533 85.7 134.4 61.9 12.3 85.1 68.3 28.5 441 228 2 N H <> S+ 0 0 13 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.890 72.2 51.3 -58.0 -38.3 83.0 68.0 25.4 442 229 2 A H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.940 111.2 46.9 -64.2 -46.6 86.0 69.1 23.3 443 230 2 E H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.945 111.9 50.9 -59.5 -47.4 88.2 66.5 24.9 444 231 2 A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.927 112.4 46.6 -54.3 -48.6 85.6 63.8 24.4 445 232 2 L H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.889 108.3 57.1 -62.0 -40.4 85.2 64.7 20.7 446 233 2 D H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.970 112.8 39.2 -55.4 -55.7 89.0 64.8 20.4 447 234 2 D H X S+ 0 0 50 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.863 112.9 56.7 -62.6 -38.8 89.3 61.1 21.5 448 235 2 A H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.885 110.8 43.2 -62.7 -39.8 86.1 60.1 19.7 449 236 2 I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.916 112.8 52.8 -72.3 -41.9 87.6 61.3 16.4 450 237 2 T H X S+ 0 0 33 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.962 119.0 36.0 -55.9 -50.5 91.0 59.8 17.1 451 238 2 D H X S+ 0 0 56 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.860 112.9 54.9 -75.2 -37.2 89.4 56.5 17.8 452 239 2 L H <>S+ 0 0 1 -4,-2.7 5,-2.0 -5,-0.2 -1,-0.2 0.901 108.1 52.7 -63.4 -37.1 86.6 56.5 15.2 453 240 2 K H ><5S+ 0 0 78 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.910 104.8 54.2 -62.4 -43.1 89.3 57.1 12.6 454 241 2 K H 3<5S+ 0 0 149 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 103.3 58.5 -59.2 -32.2 91.3 54.1 13.8 455 242 2 Q T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.510 129.5 -98.4 -76.5 -3.4 88.1 52.1 13.3 456 243 2 G T < 5S+ 0 0 46 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.595 74.6 143.3 99.0 12.0 88.1 53.2 9.7 457 244 2 Y < - 0 0 12 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.606 35.1-154.1 -87.1 145.9 85.7 56.1 9.7 458 245 2 T E -n 280 0G 78 -179,-2.4 -177,-2.0 -2,-0.2 2,-0.6 -0.963 12.9-137.1-117.9 137.5 86.2 59.1 7.5 459 246 2 F E +n 281 0G 23 -2,-0.4 2,-0.2 -179,-0.2 -152,-0.2 -0.869 28.9 173.2 -99.9 121.2 84.7 62.5 8.6 460 247 2 K E -n 282 0G 43 -179,-2.1 -177,-0.6 -2,-0.6 2,-0.1 -0.761 25.9-110.8-121.1 168.8 83.0 64.5 5.9 461 248 2 S > - 0 0 6 -2,-0.2 4,-2.2 -179,-0.1 -153,-0.1 -0.350 27.7-109.4 -94.5 175.6 80.9 67.7 5.9 462 249 2 I H > S+ 0 0 0 2,-0.2 4,-2.4 -179,-0.2 5,-0.1 0.805 122.4 53.4 -74.4 -29.3 77.3 68.4 5.1 463 250 2 D H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.923 108.8 49.9 -68.3 -42.6 78.3 70.0 1.8 464 251 2 D H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.939 110.1 51.0 -57.1 -47.4 80.3 66.9 1.1 465 252 2 L H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.908 112.6 45.5 -57.3 -46.2 77.1 64.9 1.9 466 253 2 M H X S+ 0 0 46 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.883 116.6 43.7 -67.7 -40.2 75.0 67.1 -0.5 467 254 2 F H X S+ 0 0 141 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.911 110.8 54.5 -74.2 -38.5 77.5 67.0 -3.3 468 255 2 E H < S+ 0 0 61 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.861 112.8 41.1 -64.0 -36.4 78.2 63.3 -3.1 469 256 2 K H < S+ 0 0 118 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.782 110.3 57.3 -82.5 -23.4 74.6 62.2 -3.3 470 257 2 E H < 0 0 155 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.700 360.0 360.0 -72.9 -18.5 74.0 64.8 -6.0 471 258 2 M < 0 0 160 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.930 360.0 360.0 -74.9 360.0 76.8 62.9 -7.7