==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-OCT-07 2RKB . COMPND 2 MOLECULE: SERINE DEHYDRATASE-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.YAMADA,J.KOMOTO,T.KASUYA,H.MORI,H.OGAWA,F.TAKUSAGAWA . 1590 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1230 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 175 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 3.5 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 . 4 0.3 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 . 155 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 183 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.8 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 4 0 9 6 6 5 5 0 16 4 5 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 15 10 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 15 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 0 1 4 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 11 A Q 0 0 197 0, 0.0 46,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.4 12.4 42.6 160.9 2 12 A E - 0 0 152 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.222 360.0-117.4 -50.2 128.0 13.2 43.0 157.2 3 13 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.270 11.9-131.0 -66.4 157.3 10.6 41.1 155.2 4 14 A F S S+ 0 0 35 35,-0.3 36,-0.1 36,-0.2 2,-0.1 0.679 83.1 83.5 -85.0 -17.0 11.8 38.3 153.0 5 15 A H S S- 0 0 29 34,-0.3 2,-0.3 35,-0.2 27,-0.1 -0.407 73.2-136.2 -80.7 162.2 10.0 39.4 149.9 6 16 A V - 0 0 48 -2,-0.1 2,-0.9 23,-0.1 25,-0.1 -0.815 26.7 -94.4-119.0 160.6 11.5 42.1 147.6 7 17 A V - 0 0 93 -2,-0.3 137,-0.0 320,-0.1 22,-0.0 -0.638 50.1-147.7 -73.9 108.5 10.1 45.1 145.9 8 18 A T - 0 0 3 -2,-0.9 21,-0.1 1,-0.1 319,-0.1 -0.480 19.3 -96.9 -80.9 149.7 9.3 43.6 142.5 9 19 A P - 0 0 6 0, 0.0 19,-2.4 0, 0.0 2,-0.7 -0.304 21.4-147.0 -64.1 145.4 9.4 45.7 139.2 10 20 A L E -A 27 0A 19 17,-0.2 2,-0.4 137,-0.1 17,-0.2 -0.843 27.6-170.5-115.0 88.4 6.3 47.2 137.8 11 21 A L E -A 26 0A 19 15,-2.1 15,-3.7 -2,-0.7 2,-0.6 -0.659 20.9-135.2 -89.3 134.2 7.0 47.0 134.1 12 22 A E E -A 25 0A 81 -2,-0.4 2,-0.6 13,-0.3 13,-0.3 -0.753 24.4-144.4 -85.8 124.1 4.9 48.7 131.4 13 23 A S E > -A 24 0A 1 11,-3.1 4,-2.7 -2,-0.6 11,-0.6 -0.815 16.4-168.1 -98.3 119.6 4.3 46.2 128.6 14 24 A W H > S+ 0 0 34 -2,-0.6 4,-3.5 2,-0.2 5,-0.2 0.982 92.7 43.8 -63.8 -57.4 4.2 47.5 125.1 15 25 A A H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 117.5 45.0 -54.2 -53.1 2.9 44.2 123.6 16 26 A L H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.922 114.3 50.4 -58.3 -44.2 0.4 43.8 126.4 17 27 A S H X>S+ 0 0 14 -4,-2.7 4,-2.6 7,-0.3 5,-1.3 0.944 109.2 50.9 -58.5 -49.6 -0.6 47.4 126.1 18 28 A Q H <5S+ 0 0 24 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.954 116.0 41.5 -52.1 -53.9 -1.1 47.1 122.4 19 29 A V H <5S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 116.8 46.7 -61.9 -47.1 -3.3 44.1 122.8 20 30 A A H <5S- 0 0 2 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.760 103.5-128.7 -68.2 -26.1 -5.2 45.4 125.8 21 31 A G T <5S+ 0 0 55 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.741 82.5 63.4 81.4 22.8 -5.8 48.8 124.1 22 32 A M S + b 0 298A 0 -19,-2.4 3,-1.2 -2,-1.1 271,-0.1 -0.444 42.5 154.3 -73.8 78.4 6.5 40.9 138.5 29 39 A E G > + 0 0 0 -2,-1.9 3,-1.2 269,-0.9 272,-0.2 0.553 64.1 81.3 -78.6 -6.0 6.0 38.6 141.4 30 40 A N G 3 S+ 0 0 15 268,-0.6 -1,-0.3 1,-0.3 269,-0.1 0.647 87.7 54.3 -73.1 -15.8 7.7 36.0 139.3 31 41 A V G < S+ 0 0 0 -3,-1.2 -1,-0.3 -22,-0.1 -2,-0.1 -0.070 80.7 123.7-107.9 32.4 11.1 37.4 140.3 32 42 A Q S X S- 0 0 2 -3,-1.2 3,-2.5 1,-0.1 -27,-0.1 -0.664 78.5-104.8 -87.8 146.9 10.4 37.2 144.0 33 43 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.812 119.6 44.1 -41.4 -42.6 12.9 35.2 146.1 34 44 A S T 3 S- 0 0 3 2,-0.4 268,-0.1 1,-0.0 34,-0.1 0.542 122.6 -99.3 -86.4 -1.8 10.6 32.1 146.5 35 45 A G S < S+ 0 0 5 -3,-2.5 266,-1.9 1,-0.2 2,-0.3 0.340 95.6 35.7 105.1 -7.8 9.5 32.1 142.9 36 46 A S B > S-G 300 0B 2 264,-0.2 3,-1.2 28,-0.1 -2,-0.4 -0.970 96.4 -85.3-163.2 173.4 6.1 33.8 143.4 37 47 A F T > S+ 0 0 23 262,-0.8 3,-2.8 -2,-0.3 4,-0.5 0.683 101.9 93.1 -59.9 -21.0 4.3 36.5 145.3 38 48 A K T 3>> + 0 0 26 1,-0.3 4,-2.4 261,-0.2 5,-0.6 0.806 69.2 69.2 -43.9 -40.8 3.7 33.9 148.1 39 49 A I H <>5S+ 0 0 0 -3,-1.2 4,-1.2 3,-0.2 5,-0.3 0.756 90.5 65.8 -55.2 -24.0 6.7 34.9 150.0 40 50 A R H <>5S+ 0 0 1 -3,-2.8 4,-1.9 3,-0.2 -1,-0.2 0.998 116.0 21.2 -60.6 -69.3 5.0 38.2 150.8 41 51 A G H >5S+ 0 0 0 -4,-0.5 4,-2.8 99,-0.3 -2,-0.2 0.950 130.3 45.4 -65.5 -51.8 2.2 36.8 153.0 42 52 A I H X5S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -3,-0.2 0.878 112.2 52.8 -61.7 -37.7 3.8 33.5 153.9 43 53 A G H XS+ 0 0 13 -4,-2.2 5,-2.0 1,-0.2 -1,-0.2 0.846 108.7 54.9 -61.1 -33.1 5.3 33.0 164.2 50 60 A A H ><5S+ 0 0 29 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.965 108.7 45.8 -63.4 -53.0 9.0 33.5 164.8 51 61 A K H 3<5S+ 0 0 120 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.904 107.5 58.4 -54.7 -44.4 8.3 36.5 167.1 52 62 A K T 3<5S- 0 0 138 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.493 130.5 -97.7 -66.2 -2.3 5.6 34.5 168.8 53 63 A G T < 5 + 0 0 28 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.848 58.3 175.9 88.2 38.7 8.4 32.0 169.6 54 64 A C < + 0 0 3 -5,-2.0 -1,-0.2 -4,-0.2 72,-0.2 -0.613 13.6 178.7 -78.9 131.2 8.0 29.4 166.9 55 65 A R + 0 0 161 70,-2.2 2,-0.3 -2,-0.3 71,-0.2 0.497 69.5 28.3-108.3 -8.9 10.6 26.7 167.0 56 66 A H E -h 126 0C 9 69,-1.8 71,-2.1 22,-0.2 2,-0.4 -0.927 63.0-155.4-158.2 127.8 9.3 24.7 164.0 57 67 A L E -hi 127 80C 6 22,-2.8 24,-2.6 -2,-0.3 2,-0.3 -0.878 13.9-174.7-106.5 134.1 7.4 25.4 160.9 58 68 A V E +hi 128 81C 0 69,-2.6 71,-3.5 -2,-0.4 2,-0.3 -0.919 2.8 179.3-125.1 153.4 5.3 22.8 159.1 59 69 A C E - i 0 82C 2 22,-2.2 24,-2.7 -2,-0.3 69,-0.0 -0.992 26.5-156.8-153.7 146.5 3.4 23.1 155.8 60 70 A S + 0 0 4 69,-0.5 2,-0.6 -2,-0.3 54,-0.1 0.187 67.4 100.6-109.7 14.1 1.2 20.8 153.7 61 71 A S - 0 0 22 68,-0.2 8,-0.1 1,-0.1 23,-0.1 -0.885 43.7-177.5-101.8 119.2 1.7 22.6 150.4 62 72 A G + 0 0 23 -2,-0.6 -1,-0.1 4,-0.1 34,-0.1 0.491 67.0 72.9 -90.8 -1.8 4.3 21.1 148.1 63 73 A G S > S- 0 0 36 3,-0.1 4,-2.3 154,-0.1 5,-0.2 0.291 114.1 -50.4 -88.0-145.5 3.8 24.0 145.6 64 74 A N H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 134.6 56.5 -63.3 -35.1 4.8 27.6 145.6 65 75 A A H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.940 109.1 47.1 -62.4 -45.5 3.4 28.1 149.1 66 76 A G H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.916 110.5 49.9 -62.3 -46.0 5.6 25.3 150.4 67 77 A I H X S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.931 114.0 47.0 -58.5 -45.2 8.7 26.6 148.6 68 78 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.939 111.8 50.4 -60.8 -48.7 8.0 30.0 150.1 69 79 A A H X S+ 0 0 4 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.948 112.6 46.5 -53.0 -53.7 7.4 28.5 153.6 70 80 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.922 113.7 49.2 -54.8 -49.8 10.7 26.6 153.4 71 81 A Y H X S+ 0 0 33 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.934 112.7 46.0 -56.1 -53.2 12.5 29.7 152.2 72 82 A A H X S+ 0 0 0 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.921 112.7 51.8 -57.5 -45.5 11.1 31.9 154.9 73 83 A A H >X>S+ 0 0 0 -4,-3.0 5,-2.4 -5,-0.3 3,-0.7 0.934 110.0 48.4 -58.0 -48.0 11.9 29.2 157.5 74 84 A R H ><5S+ 0 0 60 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.948 109.7 50.8 -58.1 -50.9 15.5 28.9 156.3 75 85 A K H 3<5S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.696 112.5 50.2 -59.7 -18.3 15.9 32.7 156.4 76 86 A L H <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.472 110.4-122.9 -97.8 -5.7 14.5 32.5 160.0 77 87 A G T <<5 + 0 0 18 -3,-2.0 -3,-0.2 -4,-0.5 1482,-0.2 0.798 68.1 134.9 67.3 28.1 16.9 29.7 161.1 78 88 A I < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.907 64.4-104.4-113.3 135.8 13.8 27.6 161.9 79 89 A P - 0 0 8 0, 0.0 -22,-2.8 0, 0.0 2,-0.5 -0.295 37.1-153.0 -56.1 136.5 13.4 23.9 161.0 80 90 A A E -i 57 0C 8 20,-0.5 22,-2.4 -24,-0.2 2,-0.5 -0.957 11.2-171.0-117.9 131.8 10.9 23.5 158.1 81 91 A T E -ij 58 102C 1 -24,-2.6 -22,-2.2 -2,-0.5 2,-0.5 -0.976 4.1-168.4-126.4 122.1 8.8 20.5 157.5 82 92 A I E -ij 59 103C 2 20,-3.1 22,-2.3 -2,-0.5 2,-0.5 -0.923 5.8-167.3-107.7 127.2 6.8 19.9 154.4 83 93 A V E + j 0 104C 0 -24,-2.7 22,-0.2 -2,-0.5 34,-0.2 -0.948 15.8 163.6-120.7 112.5 4.3 17.0 154.6 84 94 A L E - j 0 105C 5 20,-1.3 22,-2.0 -2,-0.5 -23,-0.1 -0.704 41.4 -85.9-117.9 169.6 2.8 15.8 151.3 85 95 A P > - 0 0 10 0, 0.0 3,-2.0 0, 0.0 23,-0.2 -0.329 40.6-106.8 -74.8 162.1 0.9 12.7 150.3 86 96 A E T 3 S+ 0 0 103 21,-3.6 22,-0.2 1,-0.3 23,-0.1 0.700 117.2 68.0 -60.3 -21.1 2.7 9.5 149.1 87 97 A S T 3 S+ 0 0 82 21,-0.4 -1,-0.3 20,-0.3 21,-0.1 0.684 75.4 124.0 -72.4 -17.5 1.6 10.3 145.6 88 98 A T < - 0 0 31 -3,-2.0 2,-0.1 1,-0.1 -4,-0.0 -0.121 68.2-111.1 -49.1 133.0 3.9 13.3 145.6 89 99 A S >> - 0 0 49 1,-0.1 4,-1.8 4,-0.0 3,-0.6 -0.349 13.8-128.0 -68.0 144.6 6.4 13.4 142.8 90 100 A L H 3> S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 109.1 61.1 -60.7 -36.9 10.1 13.0 143.6 91 101 A Q H 3> S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 105.2 48.8 -59.5 -34.6 11.0 16.2 141.7 92 102 A V H <> S+ 0 0 39 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.938 110.3 49.9 -69.6 -48.0 8.7 18.1 144.2 93 103 A V H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.925 112.2 48.1 -55.5 -48.7 10.4 16.4 147.2 94 104 A Q H X S+ 0 0 64 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.910 108.7 53.2 -60.3 -44.8 13.8 17.3 145.9 95 105 A R H X S+ 0 0 52 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.914 111.6 45.9 -58.3 -44.2 12.9 20.9 145.2 96 106 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-1.1 0.870 110.4 52.2 -68.4 -36.0 11.7 21.3 148.7 97 107 A Q H ><5S+ 0 0 5 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.815 100.4 65.2 -67.3 -27.8 14.8 19.6 150.1 98 108 A G H 3<5S+ 0 0 14 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.761 99.1 52.1 -63.9 -24.4 16.6 22.2 148.0 99 109 A E T <<5S- 0 0 17 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.351 125.2-104.6 -92.2 4.5 15.1 24.8 150.3 100 110 A G T < 5S+ 0 0 6 -3,-1.9 -20,-0.5 1,-0.3 2,-0.3 0.645 77.9 132.9 83.3 16.1 16.4 22.9 153.4 101 111 A A < - 0 0 0 -5,-1.8 -1,-0.3 -22,-0.1 2,-0.3 -0.729 56.1-125.2-100.0 148.4 13.1 21.5 154.4 102 112 A E E -j 81 0C 4 -22,-2.4 -20,-3.1 -2,-0.3 2,-0.5 -0.668 22.8-144.8 -86.5 149.9 12.5 17.9 155.4 103 113 A V E -j 82 0C 4 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.935 13.5-171.1-123.2 110.5 9.8 16.2 153.4 104 114 A Q E -j 83 0C 15 -22,-2.3 -20,-1.3 -2,-0.5 2,-0.7 -0.881 9.7-155.5-100.0 122.2 7.6 13.6 155.1 105 115 A L E +j 84 0C 45 -2,-0.6 2,-0.4 -22,-0.2 -19,-0.1 -0.873 29.6 152.4 -99.8 110.3 5.3 11.7 152.7 106 116 A T + 0 0 12 -22,-2.0 10,-0.1 -2,-0.7 -2,-0.0 -0.999 38.4 30.9-140.6 137.7 2.3 10.4 154.6 107 117 A G - 0 0 14 -2,-0.4 -21,-3.6 -22,-0.2 -20,-0.3 0.056 67.8-115.8 97.7 150.9 -1.2 9.6 153.4 108 118 A K S S+ 0 0 124 -23,-0.2 -21,-0.4 -22,-0.2 2,-0.3 0.822 100.4 37.8 -89.2 -35.3 -2.4 8.4 150.1 109 119 A V S >> S- 0 0 72 -23,-0.1 4,-1.1 1,-0.1 3,-0.8 -0.819 92.3-109.3-114.7 155.2 -4.5 11.6 149.3 110 120 A W H 3> S+ 0 0 113 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.825 111.5 66.1 -51.4 -40.4 -3.5 15.2 150.2 111 121 A D H 3> S+ 0 0 83 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.914 100.4 50.5 -49.8 -47.9 -6.2 15.5 152.9 112 122 A E H <> S+ 0 0 94 -3,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.912 110.7 48.5 -57.1 -45.6 -4.4 13.0 155.0 113 123 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.906 112.2 50.1 -61.6 -41.7 -1.1 14.8 154.6 114 124 A N H X S+ 0 0 27 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.922 110.1 48.5 -63.7 -46.0 -2.8 18.0 155.5 115 125 A L H X S+ 0 0 96 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.915 110.5 53.0 -59.5 -42.3 -4.4 16.5 158.6 116 126 A R H X S+ 0 0 41 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.869 106.4 52.5 -60.3 -38.2 -0.9 15.2 159.5 117 127 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.909 110.5 47.5 -64.4 -42.6 0.5 18.7 159.1 118 128 A Q H X S+ 0 0 92 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.861 108.3 55.4 -66.4 -37.9 -2.1 20.1 161.5 119 129 A E H >X S+ 0 0 100 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.960 109.3 46.4 -58.7 -51.1 -1.4 17.2 164.0 120 130 A L H >< S+ 0 0 8 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.858 105.3 61.2 -59.2 -36.2 2.2 18.2 164.0 121 131 A A H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.700 90.3 70.1 -64.6 -18.7 1.2 21.8 164.4 122 132 A K H << S+ 0 0 149 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.818 79.5 98.2 -67.6 -29.9 -0.5 20.7 167.7 123 133 A R S X< S- 0 0 70 -3,-1.4 3,-0.8 -4,-0.5 -3,-0.0 -0.117 91.4 -98.9 -54.2 157.2 3.0 20.2 169.1 124 134 A D T 3 S+ 0 0 158 1,-0.2 -68,-0.1 -70,-0.0 2,-0.0 0.921 110.6 21.7 -46.0 -96.7 4.3 23.1 171.3 125 135 A G T 3 S+ 0 0 12 -71,-0.1 -70,-2.2 -70,-0.1 -69,-1.8 0.296 102.0 114.3 -63.3 14.6 6.6 25.4 169.3 126 136 A W E < -h 56 0C 23 -3,-0.8 2,-0.4 -71,-0.2 -69,-0.2 -0.704 42.9-174.6 -93.3 138.4 5.1 24.2 166.0 127 137 A E E -h 57 0C 43 -71,-2.1 -69,-2.6 -2,-0.3 2,-0.5 -0.996 21.0-134.2-132.3 133.8 3.1 26.3 163.6 128 138 A N E -h 58 0C 36 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.1 -0.764 19.9-138.4 -88.8 125.6 1.3 25.2 160.5 129 139 A V - 0 0 1 -71,-3.5 -69,-0.5 -2,-0.5 -68,-0.2 -0.757 16.5-147.0 -87.3 112.7 2.0 27.6 157.6 130 140 A P - 0 0 24 0, 0.0 -85,-0.1 0, 0.0 4,-0.1 -0.593 7.8-140.6 -80.9 138.7 -1.3 28.2 155.6 131 141 A P S S- 0 0 44 0, 0.0 -89,-0.1 0, 0.0 34,-0.1 0.815 83.6 -26.3 -68.0 -29.3 -1.0 28.7 151.9 132 142 A F S S+ 0 0 44 1,-0.1 2,-1.5 35,-0.1 6,-0.1 0.530 109.1 89.2-154.7 -34.0 -3.6 31.4 151.7 133 143 A D + 0 0 81 4,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.591 66.8 89.3 -86.2 84.7 -6.4 31.5 154.4 134 144 A H S >> S- 0 0 56 -2,-1.5 4,-1.9 1,-0.1 3,-1.1 -0.811 72.3-125.1-175.7 133.2 -5.0 33.6 157.2 135 145 A P H 3> S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 112.3 54.1 -47.5 -43.3 -5.0 37.3 158.2 136 146 A L H 3> S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.846 106.1 52.5 -64.5 -34.3 -1.2 37.4 158.5 137 147 A I H <> S+ 0 0 0 -3,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.944 111.3 46.1 -65.4 -47.8 -0.9 36.1 154.9 138 148 A W H X S+ 0 0 30 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.895 110.0 54.1 -62.2 -40.8 -3.1 38.8 153.6 139 149 A K H X S+ 0 0 107 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.925 111.2 46.4 -59.3 -44.6 -1.2 41.4 155.6 140 150 A G H >< S+ 0 0 5 -4,-2.1 3,-1.8 1,-0.2 -99,-0.3 0.963 112.2 48.5 -62.2 -52.7 2.0 40.2 154.0 141 151 A H H >< S+ 0 0 1 -4,-3.0 3,-3.2 1,-0.3 4,-0.4 0.878 95.7 74.6 -55.0 -38.8 0.5 40.2 150.6 142 152 A A H >X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.3 3,-1.2 0.791 78.4 76.7 -43.8 -33.5 -0.8 43.7 151.2 143 153 A S H S+ 0 0 0 -3,-3.2 4,-1.5 -4,-0.3 -1,-0.3 0.918 101.3 47.1 -59.6 -44.3 2.3 44.4 147.0 145 155 A V H <> S+ 0 0 0 -3,-1.2 4,-2.9 -4,-0.4 -1,-0.2 0.879 107.3 57.9 -65.9 -37.1 -0.3 47.2 146.8 146 156 A Q H X S+ 0 0 82 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.941 106.8 47.8 -56.2 -48.3 2.0 49.4 148.9 147 157 A E H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.812 109.9 53.2 -63.0 -32.9 4.7 49.0 146.3 148 158 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.952 109.3 48.3 -65.8 -48.6 2.2 49.8 143.6 149 159 A K H < S+ 0 0 77 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 110.0 54.2 -60.4 -32.7 1.2 53.0 145.4 150 160 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.2 0.940 119.2 30.7 -68.6 -48.3 4.9 53.8 145.7 151 161 A V H < S+ 0 0 80 -4,-2.2 2,-1.6 1,-0.3 -2,-0.2 0.981 122.9 45.0 -75.8 -61.9 5.6 53.5 142.0 152 162 A L S < S- 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 -4,-0.0 -0.697 75.0-165.1 -83.2 91.1 2.3 54.6 140.5 153 163 A R S S+ 0 0 153 -2,-1.6 -1,-0.2 -3,-0.2 -2,-0.1 0.864 75.0 52.1 -44.6 -36.9 1.8 57.6 142.7 154 164 A T S S- 0 0 67 -3,-0.1 -3,-0.0 1,-0.1 -4,-0.0 -0.771 102.2 -89.9-106.5 148.7 -1.8 57.5 141.5 155 165 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 137,-0.1 -0.085 40.0-121.1 -53.1 144.4 -4.3 54.6 141.4 156 166 A P - 0 0 8 0, 0.0 138,-0.2 0, 0.0 3,-0.1 -0.442 20.9-115.2 -84.4 163.1 -4.5 52.3 138.3 157 167 A G S S- 0 0 16 136,-2.1 2,-0.3 1,-0.2 137,-0.2 0.823 91.1 -10.4 -68.0 -31.5 -7.7 51.9 136.3 158 168 A A E -c 294 0A 1 135,-0.6 137,-2.7 26,-0.2 2,-0.4 -0.981 60.0-135.0-162.2 161.0 -7.9 48.2 137.2 159 169 A L E -cd 295 186A 2 26,-2.4 28,-3.1 -2,-0.3 2,-0.5 -0.987 15.5-159.9-127.1 132.3 -6.0 45.4 138.9 160 170 A V E +cd 296 187A 0 135,-3.4 137,-3.1 -2,-0.4 2,-0.3 -0.956 21.8 152.1-118.5 124.6 -5.8 41.8 137.5 161 171 A L E - d 0 188A 0 26,-1.8 28,-3.1 -2,-0.5 2,-0.2 -0.966 37.7-117.1-143.7 159.4 -4.9 38.8 139.6 162 172 A A E - d 0 189A 6 -2,-0.3 2,-0.5 135,-0.3 28,-0.2 -0.510 25.8-134.8 -91.3 164.8 -5.6 35.1 139.6 163 173 A V + 0 0 1 26,-2.0 28,-0.2 -2,-0.2 34,-0.2 -0.961 35.3 153.1-130.8 119.5 -7.4 33.3 142.4 164 174 A G S S- 0 0 17 -2,-0.5 33,-0.2 56,-0.1 32,-0.2 0.779 92.9 -21.4 -98.8 -80.5 -6.4 30.0 144.1 165 175 A G S S- 0 0 5 59,-0.1 60,-3.9 -34,-0.1 63,-0.3 0.461 98.5 -98.2-107.9 -7.9 -7.9 30.1 147.6 166 176 A G S > S+ 0 0 2 58,-0.2 4,-2.8 62,-0.1 5,-0.3 0.475 86.3 126.2 103.6 5.0 -8.2 33.9 147.7 167 177 A G H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.968 79.4 41.8 -57.6 -55.4 -5.0 34.6 149.6 168 178 A L H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.849 115.1 53.1 -60.2 -36.5 -3.7 37.1 147.0 169 179 A L H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.982 110.1 44.5 -63.1 -59.3 -7.2 38.6 146.6 170 180 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.831 113.9 55.8 -52.9 -35.5 -7.7 39.2 150.3 171 181 A G H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.3 -1,-0.2 0.937 109.5 40.6 -66.0 -50.6 -4.2 40.6 150.3 172 182 A V H X S+ 0 0 0 -4,-2.5 4,-4.2 2,-0.2 5,-0.2 0.893 114.7 53.7 -68.0 -36.2 -4.6 43.2 147.6 173 183 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.939 111.4 46.8 -60.5 -43.9 -8.0 44.1 149.0 174 184 A A H X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.964 114.5 46.7 -59.2 -53.8 -6.2 44.6 152.3 175 185 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.908 109.7 53.1 -55.5 -47.2 -3.5 46.6 150.5 176 186 A L H X>S+ 0 0 1 -4,-4.2 5,-3.0 1,-0.2 4,-0.8 0.920 109.8 49.0 -55.8 -45.2 -6.0 48.7 148.6 177 187 A L H ><5S+ 0 0 77 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.919 110.6 52.3 -60.1 -43.3 -7.8 49.6 151.9 178 188 A E H 3<5S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.1 37.3 -59.2 -47.5 -4.4 50.5 153.4 179 189 A V H 3<5S- 0 0 12 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.387 116.0-109.0 -88.7 3.3 -3.4 52.8 150.6 180 190 A G T <<5S+ 0 0 38 -4,-0.8 -3,-0.2 -3,-0.7 3,-0.2 0.797 83.1 123.0 75.7 30.1 -6.9 54.2 150.0 181 191 A W > < + 0 0 12 -5,-3.0 3,-2.5 -6,-0.2 -4,-0.2 -0.094 18.6 137.7-111.1 31.2 -7.5 52.6 146.7 182 192 A Q T 3 + 0 0 58 -6,-0.5 54,-0.4 1,-0.3 -1,-0.1 0.652 69.1 59.4 -51.1 -16.7 -10.7 50.8 147.8 183 193 A H T 3 + 0 0 158 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.465 69.6 112.1 -97.7 -2.3 -12.2 51.8 144.5 184 194 A V S < S- 0 0 6 -3,-2.5 52,-0.2 -26,-0.1 -26,-0.2 -0.587 70.7-126.3 -71.3 121.0 -9.8 50.1 142.0 185 195 A P - 0 0 20 0, 0.0 -26,-2.4 0, 0.0 2,-0.5 -0.410 20.2-143.4 -69.1 147.1 -11.8 47.4 140.4 186 196 A I E -de 159 237A 0 50,-3.1 52,-3.6 -28,-0.2 2,-0.9 -0.941 6.9-153.9-115.5 129.3 -10.3 43.9 140.5 187 197 A I E -de 160 238A 0 -28,-3.1 -26,-1.8 -2,-0.5 2,-0.8 -0.886 18.0-157.8 -99.9 104.6 -10.6 41.3 137.7 188 198 A A E -de 161 239A 0 50,-2.4 52,-2.9 -2,-0.9 2,-0.3 -0.764 9.7-155.9 -88.4 108.9 -10.3 38.0 139.5 189 199 A M E +de 162 240A 0 -28,-3.1 -26,-2.0 -2,-0.8 2,-0.3 -0.635 19.5 164.0 -90.7 142.5 -9.1 35.4 137.1 190 200 A E E - e 0 241A 0 50,-1.8 52,-2.7 -2,-0.3 2,-0.4 -0.974 31.1-121.6-148.8 156.9 -9.7 31.6 137.4 191 201 A T E > -Fe 194 242A 0 3,-0.5 3,-2.6 -2,-0.3 2,-0.3 -0.832 36.0-103.0-105.0 143.2 -9.5 28.6 135.2 192 202 A H T 3 S+ 0 0 101 50,-2.7 52,-0.3 -2,-0.4 -1,-0.0 -0.483 115.6 35.0 -61.5 121.2 -12.5 26.3 134.6 193 203 A G T 3 S+ 0 0 2 -2,-0.3 20,-1.4 21,-0.1 21,-1.2 0.220 121.2 49.1 114.3 -12.0 -11.7 23.3 136.8 194 204 A A B < S+F 191 0A 0 -3,-2.6 -3,-0.5 18,-0.2 3,-0.2 -0.243 73.8 122.8-149.1 44.2 -10.1 25.4 139.5 195 205 A H > + 0 0 40 1,-0.2 4,-2.8 -5,-0.2 5,-0.2 -0.293 15.6 139.4-107.0 45.2 -12.8 28.0 139.8 196 206 A C H > S+ 0 0 0 25,-0.4 4,-2.4 23,-0.4 28,-0.3 0.880 73.7 52.7 -57.0 -39.7 -13.8 27.7 143.5 197 207 A F H > S+ 0 0 0 -3,-0.2 4,-2.8 -33,-0.2 -1,-0.2 0.969 112.7 42.6 -61.3 -54.5 -14.1 31.5 143.9 198 208 A N H > S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.937 111.8 55.1 -57.3 -48.8 -16.4 31.9 140.9 199 209 A A H X S+ 0 0 18 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.904 110.9 46.2 -50.8 -45.4 -18.4 28.8 142.0 200 210 A A H X>S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 5,-1.6 0.937 111.2 50.5 -64.2 -48.7 -18.9 30.5 145.4 201 211 A I H <5S+ 0 0 46 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.950 114.5 46.0 -52.7 -51.5 -19.8 33.8 144.0 202 212 A T H <5S+ 0 0 107 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.3 44.3 -57.4 -50.0 -22.4 32.0 141.8 203 213 A A H <5S- 0 0 51 -4,-2.8 -1,-0.2 2,-0.3 -2,-0.2 0.629 105.4-130.0 -73.0 -12.6 -23.8 29.9 144.6 204 214 A G T <5S+ 0 0 64 -4,-1.6 2,-0.3 -3,-0.5 -3,-0.2 0.769 82.3 57.2 68.4 23.8 -23.8 32.9 146.8 205 215 A K S + 0 0 1 1,-0.2 3,-2.9 48,-0.2 4,-0.3 -0.452 57.0 177.3 -79.8 70.2 -3.5 25.3 136.6 217 227 A K G > S+ 0 0 120 -2,-2.1 3,-2.4 1,-0.3 -1,-0.2 0.808 71.8 67.3 -44.0 -39.7 -2.7 23.3 139.8 218 228 A S G 3 S+ 0 0 42 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.616 101.6 47.8 -62.0 -10.7 -1.8 26.5 141.7 219 229 A L G < S+ 0 0 7 -3,-2.9 -23,-0.4 1,-0.1 -1,-0.3 0.295 81.1 113.6-108.2 6.0 -5.4 27.6 141.5 220 230 A G < + 0 0 21 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.1 0.179 28.6 139.9 -67.6 15.2 -6.6 24.2 142.7 221 231 A A - 0 0 20 -2,-0.2 -25,-0.4 -27,-0.2 -12,-0.1 -0.456 44.5-151.2 -61.3 121.9 -8.1 25.3 146.1 222 232 A K S S+ 0 0 90 -2,-0.3 -13,-2.7 1,-0.2 2,-0.4 0.767 83.1 30.9 -67.1 -25.0 -11.3 23.2 146.3 223 233 A T B S-K 208 0D 43 -15,-0.2 -1,-0.2 -17,-0.1 -15,-0.1 -0.993 84.5-128.5-137.4 129.3 -12.9 25.9 148.5 224 234 A V - 0 0 2 -17,-0.5 -58,-0.2 -2,-0.4 -59,-0.1 -0.404 39.1 -93.6 -74.0 151.7 -12.2 29.6 148.4 225 235 A A >> - 0 0 2 -60,-3.9 4,-1.3 1,-0.1 3,-0.8 -0.371 28.8-124.4 -64.7 142.8 -11.3 31.4 151.6 226 236 A A H 3> S+ 0 0 55 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.895 111.2 58.4 -55.1 -42.9 -14.2 32.9 153.4 227 237 A R H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.837 100.6 59.1 -57.0 -33.3 -12.5 36.3 153.4 228 238 A A H <4 S+ 0 0 0 -3,-0.8 4,-0.4 -63,-0.3 -1,-0.2 0.933 106.5 44.4 -61.1 -49.3 -12.4 36.1 149.6 229 239 A L H >< S+ 0 0 33 -4,-1.3 3,-1.0 -3,-0.3 -1,-0.2 0.861 113.0 54.3 -63.6 -35.3 -16.1 35.8 149.2 230 240 A E H >X S+ 0 0 111 -4,-2.1 3,-2.8 1,-0.2 4,-0.5 0.854 93.5 68.7 -67.2 -34.9 -16.4 38.6 151.8 231 241 A C H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 3,-0.6 0.695 80.1 78.5 -59.2 -16.8 -14.2 40.9 149.7 232 242 A M H <4 S+ 0 0 53 -3,-1.0 -1,-0.3 -4,-0.4 5,-0.2 0.726 95.9 48.5 -62.8 -20.1 -17.0 41.0 147.2 233 243 A Q H <4 S+ 0 0 160 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.677 114.2 42.6 -92.4 -22.5 -18.5 43.5 149.7 234 244 A V H << S+ 0 0 44 -3,-0.6 2,-0.3 -4,-0.5 -2,-0.2 0.758 120.1 27.4 -96.3 -28.0 -15.4 45.7 150.1 235 245 A C S < S- 0 0 8 -4,-2.6 2,-0.8 -52,-0.0 -1,-0.2 -0.950 82.3-105.4-135.2 154.9 -14.2 45.9 146.5 236 246 A K - 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