==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-MAY-02 1IWB . COMPND 2 MOLECULE: DIOL DEHYDRATASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA OXYTOCA; . AUTHOR N.SHIBATA,J.MASUDA,Y.MORIMOTO,N.YASUOKA,T.TORAYA . 1728 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1198 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 83 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 630 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.4 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 4 4 3 2 4 11 3 6 2 11 4 7 4 2 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 6 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 PARALLEL BRIDGES PER LADDER . 8 2 7 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 2 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.8 105.0 -17.1 202.1 2 2 A R - 0 0 109 1307,-0.0 2,-0.6 1275,-0.0 3,-0.0 -0.681 360.0-118.3 -94.7 150.5 102.2 -15.6 200.1 3 3 A S > - 0 0 0 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.772 13.4-151.7 -82.3 121.5 99.3 -13.5 201.5 4 4 A K H > S+ 0 0 74 1305,-2.3 4,-1.9 -2,-0.6 1307,-0.2 0.779 97.6 59.9 -62.7 -25.6 96.0 -15.3 200.8 5 5 A R H > S+ 0 0 0 1305,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.951 107.7 40.3 -63.9 -58.3 94.5 -11.8 200.7 6 6 A F H > S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.802 113.0 57.4 -64.7 -31.9 96.7 -10.6 197.8 7 7 A E H X S+ 0 0 67 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.915 108.4 45.1 -61.7 -45.2 96.2 -14.0 196.2 8 8 A A H < S+ 0 0 17 -4,-1.9 3,-0.3 1,-0.2 4,-0.2 0.894 115.2 49.5 -65.4 -36.2 92.4 -13.5 196.3 9 9 A L H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.2 6,-0.3 0.899 102.9 59.2 -68.6 -42.6 93.0 -9.9 195.0 10 10 A A H 3< S+ 0 0 57 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 102.0 56.7 -56.7 -29.8 95.2 -11.0 192.1 11 11 A K T 3< S+ 0 0 164 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.522 79.1 113.6 -82.4 -7.6 92.4 -13.1 190.8 12 12 A R S X S- 0 0 35 -3,-1.9 3,-1.4 -4,-0.2 4,-0.3 -0.409 76.0-119.9 -72.3 143.7 89.8 -10.4 190.4 13 13 A P G > S+ 0 0 60 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.815 107.5 67.2 -50.7 -40.1 88.8 -9.5 186.9 14 14 A V G > S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 326,-0.1 0.865 91.3 62.9 -52.7 -36.9 89.9 -5.8 187.2 15 15 A N G < S+ 0 0 41 -3,-1.4 -1,-0.3 1,-0.3 4,-0.1 0.594 92.9 64.5 -70.8 -3.8 93.5 -7.0 187.4 16 16 A Q G < S+ 0 0 104 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.559 84.9 101.3 -82.6 -11.5 93.0 -8.4 183.9 17 17 A D S < S- 0 0 9 -3,-2.5 2,-0.7 -4,-0.3 685,-0.2 -0.323 82.4-107.2 -76.5 154.9 92.6 -4.8 182.6 18 18 A G + 0 0 15 683,-1.3 2,-0.4 320,-0.3 -1,-0.1 -0.712 42.0 174.0 -87.1 120.5 95.3 -2.9 180.9 19 19 A F E -a 1415 0A 3 -2,-0.7 1397,-2.0 1395,-0.5 2,-0.3 -0.936 3.7-178.9-116.8 146.1 96.9 -0.2 183.0 20 20 A V E -a 1416 0A 0 288,-1.9 1397,-0.2 -2,-0.4 2,-0.2 -0.991 29.3-111.6-141.0 152.6 99.9 1.9 182.1 21 21 A K - 0 0 93 1395,-2.6 288,-0.1 -2,-0.3 7,-0.0 -0.524 56.3 -83.4 -72.7 148.6 102.1 4.7 183.5 22 22 A E - 0 0 63 -2,-0.2 2,-0.5 1,-0.1 7,-0.2 -0.243 38.5-163.8 -54.9 133.5 101.8 8.1 181.8 23 23 A W B > > -B 28 0B 37 5,-2.2 5,-1.8 1,-0.2 3,-1.3 -0.747 9.3-179.0-121.1 82.0 104.0 8.3 178.8 24 24 A I G > 5S+ 0 0 55 -2,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.843 73.2 61.3 -57.7 -39.4 104.1 12.0 178.2 25 25 A E G 3 5S+ 0 0 121 1,-0.3 248,-0.3 -3,-0.1 -1,-0.3 0.837 111.5 40.0 -57.3 -33.0 106.3 12.0 175.1 26 26 A E G < 5S- 0 0 35 -3,-1.3 -1,-0.3 247,-0.1 245,-0.2 0.266 116.0-106.8-106.9 17.2 103.8 9.9 173.2 27 27 A G T < 5S+ 0 0 0 -3,-1.7 2,-2.5 -4,-0.2 249,-0.4 0.559 71.6 143.5 73.5 8.9 100.5 11.6 174.4 28 28 A F B < +B 23 0B 0 -5,-1.8 -5,-2.2 247,-0.1 2,-0.3 -0.350 43.3 97.5 -80.7 61.9 99.7 8.6 176.6 29 29 A I S S- 0 0 6 -2,-2.5 247,-2.4 245,-0.2 248,-0.2 -0.959 70.2-141.3-146.5 138.1 98.3 11.0 179.2 30 30 A A S S- 0 0 1 280,-0.4 247,-1.9 -2,-0.3 2,-0.3 0.915 70.7 -22.1 -78.7 -45.9 94.6 11.7 179.4 31 31 A M S S+ 0 0 5 279,-0.2 -1,-0.2 245,-0.2 245,-0.1 -0.944 111.9 44.9-151.8 172.4 94.5 15.3 180.2 32 32 A E + 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.885 66.0 172.0 55.9 44.3 96.6 18.2 181.6 33 33 A S > - 0 0 8 -4,-0.1 3,-1.2 1,-0.1 -1,-0.2 -0.585 38.7-130.2 -79.6 148.4 99.8 17.2 179.7 34 34 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 240,-0.1 0.609 106.2 60.4 -78.8 -8.7 102.7 19.7 180.0 35 35 A N T 3 S+ 0 0 77 238,-0.2 239,-0.1 -11,-0.1 3,-0.1 0.591 78.3 111.3 -91.4 -9.5 103.1 19.7 176.2 36 36 A D S < S- 0 0 31 -3,-1.2 238,-0.0 1,-0.1 237,-0.0 -0.398 77.9-106.9 -67.1 136.8 99.6 21.0 175.7 37 37 A P - 0 0 32 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 -0.276 27.6-116.6 -66.8 147.0 99.6 24.6 174.3 38 38 A K - 0 0 170 14,-0.1 74,-0.1 1,-0.1 73,-0.1 -0.619 45.7 -91.5 -76.7 146.7 98.6 27.4 176.6 39 39 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.373 63.8 141.1 -61.4 132.3 95.5 29.2 175.3 40 40 A S - 0 0 21 -2,-0.1 12,-3.5 -3,-0.0 2,-0.3 -0.963 23.9-172.4-161.1 155.5 96.0 32.2 173.0 41 41 A I E -C 51 0C 20 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.949 3.9-167.0-152.6 141.9 94.4 33.8 169.9 42 42 A K E -C 50 0C 114 8,-2.1 7,-3.8 -2,-0.3 8,-1.5 -0.994 10.2-171.1-124.9 129.9 95.5 36.6 167.6 43 43 A I E -C 48 0C 31 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.980 7.5-178.9-129.9 136.1 93.1 38.2 165.1 44 44 A V E > S-C 47 0C 82 3,-2.7 3,-0.9 -2,-0.4 -2,-0.0 -0.979 74.5 -18.4-136.3 119.4 93.8 40.7 162.3 45 45 A N T 3 S- 0 0 172 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.895 130.9 -47.5 46.2 49.8 91.2 42.1 160.0 46 46 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 27,-0.1 -1,-0.2 0.634 119.1 102.9 73.1 21.5 88.9 39.2 160.9 47 47 A A E < S-C 44 0C 52 -3,-0.9 -3,-2.7 26,-0.1 2,-0.2 -0.998 72.4-114.1-137.9 134.0 91.4 36.4 160.5 48 48 A V E +C 43 0C 13 -2,-0.4 -5,-0.3 19,-0.3 3,-0.1 -0.388 30.9 170.5 -66.1 128.5 93.3 34.4 163.0 49 49 A T E S+ 0 0 48 -7,-3.8 7,-1.9 1,-0.4 2,-0.3 0.471 72.4 32.0-115.9 -6.8 97.1 34.9 163.0 50 50 A E E -CD 42 55C 40 -8,-1.5 -8,-2.1 5,-0.2 2,-0.4 -0.960 59.8-176.4-150.0 136.3 97.7 32.9 166.2 51 51 A L E > S-CD 41 54C 3 3,-2.1 3,-2.0 -2,-0.3 -10,-0.2 -0.960 73.7 -29.3-136.2 113.2 96.0 29.9 167.8 52 52 A D T 3 S- 0 0 5 -12,-3.5 -11,-0.1 -2,-0.4 -14,-0.1 0.902 127.0 -42.8 44.6 57.3 97.1 28.5 171.1 53 53 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -16,-0.1 -12,-0.1 0.157 115.3 113.4 85.9 -18.4 100.7 29.6 170.8 54 54 A K E < -D 51 0C 48 -3,-2.0 -3,-2.1 -14,-0.2 -1,-0.2 -0.741 63.0-132.0 -95.6 123.3 101.0 28.6 167.1 55 55 A P E > -D 50 0C 48 0, 0.0 3,-3.1 0, 0.0 4,-0.4 -0.474 23.6-117.1 -70.1 145.9 101.6 31.1 164.4 56 56 A V G > S+ 0 0 59 -7,-1.9 3,-1.5 1,-0.3 -6,-0.1 0.817 115.7 68.4 -51.8 -31.8 99.3 30.8 161.3 57 57 A S G 3 S+ 0 0 90 -8,-0.3 -1,-0.3 1,-0.3 -7,-0.1 0.832 104.2 43.3 -54.8 -29.4 102.6 30.2 159.4 58 58 A D G < S+ 0 0 95 -3,-3.1 -1,-0.3 2,-0.0 -2,-0.2 0.455 85.1 131.7 -99.3 1.5 102.8 26.9 161.3 59 59 A F < - 0 0 3 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.0 -0.193 42.3-153.2 -55.9 139.4 99.2 25.8 161.0 60 60 A D > - 0 0 7 1,-0.0 4,-2.6 800,-0.0 5,-0.3 -0.448 44.7 -83.3 -94.0-174.7 98.5 22.3 159.9 61 61 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 132.2 51.8 -57.7 -36.8 95.2 21.4 158.1 62 62 A I H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.968 109.2 47.7 -67.3 -49.6 93.5 21.1 161.4 63 63 A D H > S+ 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.935 113.3 49.2 -55.3 -47.1 94.6 24.6 162.7 64 64 A H H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.937 112.1 47.3 -57.4 -46.8 93.6 26.2 159.4 65 65 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 5,-0.4 0.934 118.1 40.8 -64.1 -43.6 90.1 24.6 159.4 66 66 A I H X>S+ 0 0 1 -4,-2.7 4,-3.1 3,-0.2 5,-0.7 0.957 115.8 50.1 -67.6 -49.8 89.5 25.5 163.1 67 67 A A H <5S+ 0 0 7 -4,-3.3 -19,-0.3 -5,-0.3 4,-0.3 0.915 119.9 37.4 -54.8 -45.8 91.0 28.9 162.8 68 68 A R H <5S+ 0 0 128 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.819 138.0 8.1 -78.0 -31.1 88.9 29.7 159.7 69 69 A Y H <5S+ 0 0 61 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.550 115.4 63.3-127.6 -11.2 85.6 28.0 160.5 70 70 A G T <5S+ 0 0 1 -4,-3.1 2,-0.4 -5,-0.4 -3,-0.2 0.570 87.8 61.6-107.6 -7.5 85.5 26.7 164.1 71 71 A I S > - 0 0 41 34,-2.9 4,-0.6 -2,-0.4 3,-0.5 -0.634 27.4-170.2 -73.5 105.2 83.4 32.7 166.8 73 73 A L T 34 S+ 0 0 40 -2,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.582 70.9 77.2 -77.8 -13.1 86.0 35.5 166.4 74 74 A N T 34 S+ 0 0 152 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.930 114.3 18.4 -66.3 -40.8 83.6 38.2 167.4 75 75 A R T <> S+ 0 0 83 -3,-0.5 4,-2.9 1,-0.1 5,-0.4 0.428 95.0 105.7-110.0 8.2 84.0 37.4 171.1 76 76 A A H X S+ 0 0 1 -4,-0.6 4,-2.4 1,-0.2 5,-0.1 0.897 83.9 46.3 -52.7 -47.2 87.2 35.3 170.9 77 77 A E H > S+ 0 0 110 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.952 113.1 52.0 -55.5 -50.3 89.3 38.1 172.4 78 78 A E H > S+ 0 0 90 -4,-0.2 4,-0.6 1,-0.2 3,-0.5 0.929 113.6 40.2 -55.1 -52.9 86.7 38.7 175.1 79 79 A V H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.878 108.0 62.8 -71.8 -32.7 86.5 35.1 176.2 80 80 A M H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.851 105.7 47.4 -56.3 -32.8 90.2 34.6 176.0 81 81 A A H 3< S+ 0 0 90 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.576 91.8 99.7 -89.3 -12.9 90.6 37.2 178.7 82 82 A M S << S- 0 0 42 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.0 -0.362 87.2 -94.5 -72.2 155.2 88.0 35.8 181.0 83 83 A D > - 0 0 98 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.537 24.2-145.4 -74.1 129.1 89.1 33.7 184.0 84 84 A S H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.845 99.8 54.9 -65.4 -30.4 89.0 30.0 183.2 85 85 A V H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.924 107.2 48.7 -66.7 -44.6 87.9 29.2 186.8 86 86 A K H > S+ 0 0 111 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.915 111.4 50.5 -62.5 -41.4 85.0 31.6 186.6 87 87 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 110.0 49.4 -62.6 -43.7 84.0 30.0 183.3 88 88 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.921 110.7 51.1 -59.6 -41.9 84.2 26.5 184.8 89 89 A N H X S+ 0 0 21 -4,-2.8 4,-1.7 1,-0.2 3,-0.4 0.942 107.7 52.9 -59.9 -46.4 82.1 27.8 187.7 90 90 A M H < S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.2 3,-0.2 0.896 102.2 61.0 -54.3 -39.4 79.5 29.1 185.2 91 91 A L H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.4 29.0 -57.2 -43.9 79.4 25.7 183.6 92 92 A C H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.519 91.2 110.3-100.3 -2.3 78.2 24.0 186.7 93 93 A D >< - 0 0 19 -4,-1.7 3,-2.0 -3,-0.2 868,-0.1 -0.584 59.7-151.5 -68.1 115.0 76.3 27.0 188.2 94 94 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 867,-0.1 0.780 91.5 57.2 -66.1 -19.8 72.6 26.1 187.9 95 95 A N T 3 S+ 0 0 80 862,-0.1 2,-0.7 2,-0.1 -2,-0.1 0.369 84.8 89.6 -95.1 9.9 71.5 29.7 187.7 96 96 A V S < S- 0 0 17 -3,-2.0 5,-0.1 -6,-0.2 -1,-0.0 -0.906 82.2-126.1-104.1 115.1 73.7 30.5 184.7 97 97 A K >> - 0 0 124 -2,-0.7 4,-1.5 1,-0.1 3,-1.0 -0.259 6.1-130.0 -61.2 141.7 71.7 29.8 181.5 98 98 A R H 3> S+ 0 0 32 426,-0.3 4,-2.6 1,-0.3 -1,-0.1 0.878 112.5 58.1 -48.6 -41.2 73.0 27.5 178.8 99 99 A S H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.820 103.0 51.6 -66.3 -27.9 72.1 30.3 176.4 100 100 A E H <4 S+ 0 0 113 -3,-1.0 4,-0.4 1,-0.1 -1,-0.2 0.809 114.7 44.1 -74.4 -27.8 74.3 32.7 178.3 101 101 A I H >X S+ 0 0 5 -4,-1.5 4,-2.6 1,-0.2 3,-1.5 0.935 97.3 68.3 -85.9 -40.7 77.2 30.2 178.1 102 102 A V H 3X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.827 98.0 52.4 -47.6 -47.2 77.0 29.0 174.4 103 103 A P H 34 S+ 0 0 49 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.808 114.4 47.1 -62.5 -24.4 78.1 32.4 172.9 104 104 A L H X4 S+ 0 0 9 -3,-1.5 3,-1.6 -4,-0.4 4,-0.5 0.966 113.6 42.9 -80.3 -54.5 81.0 32.2 175.3 105 105 A T H >< S+ 0 0 4 -4,-2.6 3,-2.0 1,-0.3 -3,-0.2 0.914 108.9 57.7 -58.9 -40.2 82.2 28.6 174.7 106 106 A T T 3< S+ 0 0 16 -4,-2.7 -34,-2.9 1,-0.3 -1,-0.3 0.615 105.2 54.0 -72.6 -2.4 81.8 28.8 170.9 107 107 A A T < S+ 0 0 1 -3,-1.6 -1,-0.3 -36,-0.2 -2,-0.2 0.479 91.3 100.1 -97.3 -11.3 84.2 31.7 171.0 108 108 A M S < S- 0 0 3 -3,-2.0 -36,-0.1 -4,-0.5 -32,-0.1 -0.395 72.2-121.6 -77.2 154.0 86.9 29.8 172.9 109 109 A T > - 0 0 0 -33,-0.1 4,-2.5 -2,-0.1 5,-0.3 -0.512 34.0-104.0 -80.3 161.2 90.0 28.2 171.5 110 110 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.915 123.7 46.4 -50.0 -47.6 90.5 24.4 171.9 111 111 A A H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 110.3 54.4 -67.0 -35.4 93.1 25.0 174.6 112 112 A K H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.969 110.5 43.7 -61.7 -49.9 91.0 27.5 176.3 113 113 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.858 112.6 52.5 -69.2 -32.7 88.0 25.3 176.7 114 114 A V H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.892 109.3 50.5 -64.5 -36.3 90.1 22.3 177.8 115 115 A E H X S+ 0 0 73 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.942 108.3 53.7 -66.8 -39.6 91.7 24.5 180.5 116 116 A V H >< S+ 0 0 3 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.963 112.7 40.4 -60.3 -51.5 88.2 25.5 181.6 117 117 A V H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.789 101.7 71.3 -75.7 -18.2 86.9 22.0 182.1 118 118 A S H 3< S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.697 88.6 65.0 -69.8 -13.3 90.2 20.7 183.6 119 119 A H T << S+ 0 0 61 -3,-1.2 1277,-1.2 -4,-0.6 2,-0.3 0.507 92.0 87.9 -78.9 -4.9 89.3 22.8 186.7 120 120 A M < - 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0 0 0 -2,-0.4 2,-0.3 26,-0.2 28,-0.1 -0.947 38.1-154.8-147.6 159.9 74.9 -6.9 165.1 146 146 A N > - 0 0 0 26,-0.3 3,-2.8 -2,-0.3 28,-0.4 -0.985 31.0-116.8-149.9 156.1 75.7 -10.5 165.1 147 147 A V T 3 S+ 0 0 28 -2,-0.3 546,-0.2 1,-0.3 224,-0.1 0.611 116.4 45.4 -61.8 -17.8 78.9 -12.5 164.4 148 148 A K T 3 S- 0 0 90 26,-0.1 -1,-0.3 2,-0.1 303,-0.1 0.394 104.2-124.1-102.8 1.0 77.3 -14.2 161.4 149 149 A D < - 0 0 0 -3,-2.8 -2,-0.1 1,-0.2 32,-0.0 0.849 45.0-179.2 52.8 37.6 75.8 -11.0 159.9 150 150 A N > - 0 0 6 1,-0.2 4,-2.3 2,-0.1 3,-0.4 -0.507 19.1-158.8 -74.1 115.6 72.5 -13.0 160.0 151 151 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.871 87.6 54.0 -72.9 -30.0 69.9 -10.6 158.6 152 152 A V H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 267,-0.1 0.822 111.0 46.0 -67.2 -38.9 66.9 -12.4 160.2 153 153 A Q H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.811 109.8 54.1 -76.0 -36.8 68.4 -12.1 163.7 154 154 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.968 108.1 50.6 -62.4 -45.1 69.4 -8.5 163.1 155 155 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.948 114.1 43.6 -57.1 -48.6 65.7 -7.7 162.2 156 156 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.926 116.0 46.5 -60.4 -48.9 64.4 -9.4 165.4 157 157 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.817 110.8 54.3 -63.6 -36.3 67.1 -7.9 167.6 158 158 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.851 108.5 49.0 -65.7 -37.5 66.5 -4.4 166.0 159 159 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.946 110.3 50.2 -70.5 -44.7 62.8 -4.7 166.8 160 160 A E H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 110.6 49.0 -58.1 -47.9 63.4 -5.7 170.4 161 161 A G H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-1.3 0.931 111.2 49.4 -60.2 -46.0 65.8 -2.8 171.0 162 162 A A H <5S+ 0 0 3 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.886 110.7 51.7 -54.9 -39.6 63.4 -0.3 169.5 163 163 A W H <5S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 106.8 53.0 -68.6 -35.3 60.7 -1.8 171.7 164 164 A R H <5S- 0 0 3 -4,-2.2 237,-1.4 -5,-0.2 -1,-0.2 0.678 129.6 -91.7 -75.5 -18.0 63.0 -1.3 174.8 165 165 A G T <5S+ 0 0 17 -4,-1.3 -25,-0.3 -3,-0.3 -3,-0.2 0.368 71.5 144.8 128.0 -4.0 63.5 2.3 174.0 166 166 A F < - 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0 0 2 -6,-0.3 -17,-0.2 -5,-0.2 3,-0.1 -0.931 59.2-154.9-132.2 155.8 70.0 3.9 156.1 218 218 A C S S- 0 0 0 -19,-3.0 37,-0.9 -2,-0.3 2,-0.3 0.602 77.5 -6.2 -97.8 -27.8 68.4 6.8 158.0 219 219 A Y E -i 255 0F 0 -20,-1.9 -18,-0.4 35,-0.2 2,-0.3 -0.960 57.2-127.9-160.8 175.1 71.6 8.4 159.2 220 220 A A E +i 256 0F 0 35,-1.5 37,-1.7 -2,-0.3 3,-0.1 -0.998 25.5 159.8-138.1 134.9 75.4 8.2 159.5 221 221 A E E + 0 0 0 -2,-0.3 2,-1.7 35,-0.2 75,-0.3 0.639 62.3 75.9-123.1 -35.2 77.5 8.5 162.7 222 222 A T E + 0 0 29 36,-0.1 2,-0.9 1,-0.1 36,-0.1 -0.314 56.0 137.0 -86.0 44.8 80.9 6.9 162.1 223 223 A I E -i 258 0F 0 -2,-1.7 36,-1.6 34,-0.7 -1,-0.1 -0.872 51.3-143.7 -87.7 88.2 82.0 9.9 160.0 224 224 A S E +i 259 0F 20 -2,-0.9 2,-0.3 34,-0.2 36,-0.2 -0.237 30.1 174.8 -79.8 146.1 85.4 10.1 161.5 225 225 A V - 0 0 1 34,-2.1 2,-0.3 12,-0.0 58,-0.1 -0.927 13.8-154.6-135.7 161.7 87.7 13.0 162.4 226 226 A Y - 0 0 38 -2,-0.3 6,-0.1 34,-0.1 34,-0.0 -0.939 20.0-127.9-144.2 153.0 91.1 13.0 164.2 227 227 A G S S+ 0 0 0 -2,-0.3 2,-0.3 49,-0.0 55,-0.1 0.514 88.1 47.8 -93.1 -7.7 93.1 15.4 166.2 228 228 A T S > S- 0 0 0 1,-0.1 4,-2.5 -166,-0.0 5,-0.2 -0.970 79.3-124.3-127.4 152.8 96.5 15.3 164.5 229 229 A E H > S+ 0 0 14 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.927 107.9 50.2 -61.5 -47.3 97.2 15.6 160.8 230 230 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.930 113.3 47.7 -59.5 -36.9 99.2 12.4 160.3 231 231 A V H > S+ 0 0 0 39,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.929 110.7 50.3 -69.8 -40.8 96.5 10.4 162.0 232 232 A F H <>S+ 0 0 2 -4,-2.5 5,-1.6 1,-0.2 3,-0.3 0.947 110.7 52.6 -58.0 -42.6 93.7 12.1 160.0 233 233 A T H ><5S+ 0 0 10 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.913 107.3 48.2 -62.6 -43.4 95.8 11.2 156.9 234 234 A D H 3<5S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.774 104.8 62.5 -70.3 -16.0 96.0 7.5 157.9 235 235 A G T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.417 116.8-120.3 -81.9 1.7 92.3 7.8 158.4 236 236 A D T < 5S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.820 77.6 84.6 63.8 38.3 92.1 8.6 154.7 237 237 A D < - 0 0 0 -5,-1.6 -1,-0.2 584,-0.1 -2,-0.2 -0.923 57.6-147.9-150.7 173.8 90.5 12.0 155.0 238 238 A T > - 0 0 2 -2,-0.3 4,-2.7 -3,-0.1 5,-0.3 -0.847 42.6-100.2-133.9 166.7 91.2 15.7 155.6 239 239 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.878 126.3 50.0 -57.7 -36.8 89.0 18.3 157.4 240 240 A W H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 109.3 46.8 -72.5 -42.0 88.0 19.4 153.9 241 241 A S H > S+ 0 0 0 579,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.923 116.6 47.0 -64.0 -36.6 87.1 16.0 152.6 242 242 A K H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.906 110.2 51.4 -70.2 -37.9 85.2 15.3 155.8 243 243 A G H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.919 111.3 48.9 -63.5 -37.3 83.4 18.7 155.6 244 244 A F H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.880 109.1 52.9 -66.0 -39.9 82.4 17.9 152.0 245 245 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.940 105.4 54.4 -63.4 -43.6 81.1 14.5 153.1 246 246 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 110.8 45.1 -55.5 -45.1 78.9 16.0 155.8 247 247 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.871 108.2 57.9 -67.1 -35.0 77.3 18.3 153.3 248 248 A S H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.944 107.7 47.2 -62.2 -43.6 76.9 15.5 150.8 249 249 A Y H ><>S+ 0 0 1 -4,-2.5 5,-2.4 1,-0.2 3,-1.5 0.963 114.7 46.4 -56.3 -50.0 74.9 13.5 153.4 250 250 A A H ><5S+ 0 0 5 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.841 104.5 61.3 -62.5 -33.5 72.8 16.7 154.1 251 251 A S H 3<5S+ 0 0 3 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.686 106.0 48.1 -68.6 -17.0 72.4 17.3 150.4 252 252 A R T <<5S- 0 0 22 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.190 122.0-109.8-102.2 11.9 70.6 13.9 150.4 253 253 A G T < 5S+ 0 0 0 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.709 72.1 142.0 67.2 20.4 68.5 14.8 153.4 254 254 A L < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 -35,-0.2 -0.824 49.6-129.7 -97.9 131.1 70.3 12.4 155.6 255 255 A K E +i 219 0F 1 -37,-0.9 -35,-1.5 -2,-0.5 2,-0.3 -0.395 37.4 170.3 -64.1 140.8 71.1 13.3 159.3 256 256 A M E -i 220 0F 10 -37,-0.2 37,-0.5 246,-0.2 38,-0.3 -0.995 23.0-168.0-152.3 167.7 74.7 12.8 160.3 257 257 A R E - 0 0 0 -37,-1.7 -34,-0.7 -2,-0.3 38,-0.2 -0.922 27.8-114.8-138.7 159.2 77.3 13.4 163.0 258 258 A F E -ij 223 295F 0 36,-1.8 38,-2.2 -2,-0.3 2,-0.4 -0.475 25.2-139.9 -84.3 171.2 81.0 13.0 163.1 259 259 A T E +ij 224 296F 17 -36,-1.6 -34,-2.1 36,-0.2 38,-0.2 -0.995 36.8 133.2-128.3 140.9 82.8 10.4 165.3 260 260 A S - 0 0 14 36,-2.4 41,-0.3 -2,-0.4 2,-0.1 -0.552 20.7-178.5-150.6-134.8 86.1 10.9 167.3 261 261 A G > - 0 0 0 -2,-0.2 3,-1.3 36,-0.1 36,-0.1 -0.324 38.8 -72.2 134.5 134.7 87.1 10.1 170.9 262 262 A S T 3 S+ 0 0 1 1,-0.2 43,-0.2 -2,-0.1 40,-0.2 -0.281 110.2 26.6 -58.0 140.5 90.1 10.4 173.2 263 263 A G T 3> S+ 0 0 0 42,-0.2 4,-2.9 13,-0.1 -1,-0.2 0.301 81.1 112.0 92.9 -5.4 93.0 8.1 172.6 264 264 A S H <> S+ 0 0 11 -3,-1.3 4,-2.1 2,-0.2 -2,-0.1 0.898 79.6 49.9 -67.2 -36.3 92.6 7.6 168.8 265 265 A E H 4>S+ 0 0 0 2,-0.2 5,-1.9 1,-0.2 -1,-0.2 0.914 113.3 45.9 -71.3 -39.4 95.7 9.5 167.9 266 266 A V H >45S+ 0 0 2 3,-0.2 3,-2.0 1,-0.2 -2,-0.2 0.951 113.4 50.3 -59.4 -50.5 97.8 7.6 170.5 267 267 A Q H 3<5S+ 0 0 37 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.850 112.4 47.7 -62.1 -27.6 96.2 4.3 169.2 268 268 A M T 3<5S- 0 0 37 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.325 119.5-109.7 -99.5 11.8 97.1 5.3 165.7 269 269 A G T < 5S+ 0 0 1 -3,-2.0 2,-0.3 -5,-0.1 -3,-0.2 0.456 89.4 84.3 87.1 -0.6 100.6 6.3 166.5 270 270 A Y < + 0 0 57 -5,-1.9 -39,-0.3 1,-0.1 -4,-0.1 -0.657 29.3 149.0-137.1 87.8 100.9 10.1 166.2 271 271 A A > - 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0 0 14 -5,-1.8 2,-1.1 -6,-0.2 -1,-0.2 -0.977 51.3-129.8-121.1 132.6 66.9 8.7 186.5 397 397 A D + 0 0 13 -2,-0.4 141,-0.0 1,-0.2 -5,-0.0 -0.741 27.6 174.6 -86.3 104.2 65.6 8.4 183.0 398 398 A G - 0 0 0 -2,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.256 53.4-109.3 -88.7 10.4 68.2 6.3 181.2 399 399 A G S S+ 0 0 9 1,-0.3 2,-0.2 -261,-0.1 -259,-0.2 0.465 88.4 91.7 83.8 -2.1 66.0 6.2 178.0 400 400 A L - 0 0 2 -13,-0.1 -1,-0.3 -261,-0.1 -2,-0.2 -0.663 54.7-157.9-118.1 177.6 65.1 2.6 178.3 401 401 A R - 0 0 62 -237,-1.4 2,-0.1 -2,-0.2 140,-0.1 -0.994 27.9 -95.5-152.0 155.3 62.2 0.6 179.9 402 402 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 141,-0.1 -0.447 45.6-169.2 -65.8 143.7 61.1 -2.8 181.3 403 403 A V - 0 0 23 -2,-0.1 2,-0.4 142,-0.0 -239,-0.1 -0.902 21.2-107.3-132.4 160.8 59.2 -4.8 178.7 404 404 A R > - 0 0 133 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.738 19.9-129.4 -97.4 145.1 57.2 -8.0 178.8 405 405 A E H > S+ 0 0 45 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.888 109.1 49.3 -48.2 -46.7 58.5 -11.3 177.3 406 406 A E H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 109.0 52.7 -69.8 -31.5 55.3 -11.9 175.3 407 407 A D H > S+ 0 0 53 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.920 112.0 46.9 -63.6 -40.9 55.4 -8.3 173.9 408 408 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.924 109.6 51.1 -69.7 -44.2 59.0 -9.0 172.8 409 409 A I H X S+ 0 0 27 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.946 112.2 48.9 -57.0 -46.2 58.3 -12.4 171.2 410 410 A A H X S+ 0 0 57 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.899 113.4 44.0 -60.8 -45.4 55.5 -10.9 169.2 411 411 A I H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.899 114.6 50.2 -74.4 -35.1 57.5 -7.8 168.0 412 412 A R H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.959 111.8 48.7 -62.8 -44.0 60.5 -10.0 167.1 413 413 A N H X S+ 0 0 43 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.903 109.1 52.2 -63.9 -39.1 58.3 -12.4 165.2 414 414 A K H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.931 109.8 48.9 -67.3 -36.2 56.6 -9.7 163.3 415 415 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.929 110.5 50.2 -70.0 -39.7 59.9 -8.2 162.2 416 416 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.921 112.2 47.8 -61.0 -43.6 61.3 -11.6 161.1 417 417 A R H X S+ 0 0 87 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.922 111.0 52.0 -66.6 -36.8 58.1 -12.2 159.1 418 418 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.946 112.2 44.1 -61.3 -45.7 58.4 -8.7 157.6 419 419 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.864 111.1 55.1 -73.0 -27.0 62.0 -9.3 156.5 420 420 A Q H X S+ 0 0 48 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.973 110.9 45.7 -61.8 -48.9 61.0 -12.8 155.2 421 421 A A H X S+ 0 0 14 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.907 110.6 53.5 -55.2 -47.1 58.4 -11.0 153.1 422 422 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.950 110.4 46.9 -51.6 -53.2 60.9 -8.4 152.0 423 423 A F H X>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 4,-0.5 0.842 112.3 48.8 -61.4 -41.3 63.3 -11.1 150.9 424 424 A A H ><5S+ 0 0 77 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.977 112.8 49.4 -60.7 -54.6 60.6 -13.0 149.0 425 425 A G H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.877 114.8 43.3 -51.9 -45.7 59.5 -9.8 147.3 426 426 A M H 3<5S- 0 0 9 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.515 111.3-115.2 -87.8 4.3 63.0 -8.8 146.3 427 427 A G T <<5 + 0 0 45 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.926 64.2 148.4 68.4 38.3 64.0 -12.2 145.1 428 428 A L < - 0 0 8 -5,-3.0 -1,-0.2 -6,-0.1 3,-0.1 -0.644 63.1 -64.2-100.1 165.8 66.7 -12.6 147.7 429 429 A P S S- 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.286 73.2 -95.9 -54.0 123.8 67.8 -16.0 149.3 430 430 A P - 0 0 102 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 0.183 23.1-144.4 -40.7 152.1 64.8 -17.3 151.2 431 431 A I - 0 0 7 -11,-0.2 -7,-0.1 -3,-0.1 -3,-0.0 -0.967 27.9-143.6-121.0 104.8 64.2 -16.9 154.8 432 432 A T > - 0 0 53 -2,-0.5 4,-2.4 1,-0.1 3,-0.3 -0.238 21.0-111.3 -73.7 159.5 62.5 -20.1 156.0 433 433 A D H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.765 119.1 56.8 -58.4 -27.6 59.8 -20.4 158.6 434 434 A E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 105.8 49.9 -71.6 -37.7 62.3 -22.1 160.9 435 435 A E H > S+ 0 0 9 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.952 109.9 50.8 -64.8 -46.3 64.6 -19.1 160.6 436 436 A V H X S+ 0 0 8 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.940 111.8 48.0 -54.9 -47.1 61.7 -16.8 161.5 437 437 A E H X S+ 0 0 89 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.934 111.5 50.4 -62.7 -38.6 60.9 -18.9 164.5 438 438 A A H X S+ 0 0 15 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.947 106.8 52.3 -68.3 -41.1 64.5 -19.0 165.6 439 439 A A H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 105.2 61.3 -61.1 -25.6 65.0 -15.2 165.3 440 440 A T H < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.902 117.3 23.6 -67.4 -45.0 61.9 -15.0 167.5 441 441 A Y H < S+ 0 0 40 -4,-1.3 431,-3.3 -3,-0.4 432,-0.2 0.359 94.8 127.7-107.4 3.3 63.2 -16.8 170.5 442 442 A A < - 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0 0 77 -2,-0.2 -24,-1.2 -3,-0.2 -277,-0.1 -0.938 67.1-118.5-118.8 130.8 64.9 14.1 147.0 775 81 G I - 0 0 8 -2,-0.5 -277,-0.1 -279,-0.3 -26,-0.1 -0.272 37.4-128.9 -53.8 148.2 65.2 17.1 149.3 776 82 G T > - 0 0 12 -279,-0.4 4,-2.2 -28,-0.3 5,-0.3 -0.609 15.5-113.6-104.2 158.4 65.5 20.4 147.4 777 83 G P H > S+ 0 0 31 0, 0.0 4,-1.5 0, 0.0 26,-0.1 0.822 117.7 57.4 -57.5 -27.0 67.9 23.3 147.5 778 84 G E H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.940 105.2 47.7 -73.6 -40.7 65.0 25.4 148.7 779 85 G T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.960 110.5 51.1 -64.7 -49.6 64.2 23.2 151.7 780 86 G L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.871 109.7 52.2 -55.6 -33.3 67.9 23.1 152.8 781 87 G R H X S+ 0 0 99 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.3 0.838 107.2 51.8 -75.4 -28.2 67.9 26.9 152.5 782 88 G L H X S+ 0 0 33 -4,-1.8 4,-1.9 -3,-0.4 -2,-0.2 0.921 112.0 46.4 -65.7 -45.2 64.8 27.0 154.8 783 89 G Q H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.863 108.7 55.9 -67.2 -31.6 66.5 24.8 157.3 784 90 G A H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.920 106.2 50.4 -66.0 -38.1 69.7 26.9 157.1 785 91 G S H X S+ 0 0 22 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.921 111.6 48.3 -66.0 -37.6 67.7 30.0 157.9 786 92 G I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 6,-0.2 0.941 109.8 52.0 -69.1 -42.1 66.3 28.2 160.9 787 93 G A H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-0.4 0.959 109.9 49.4 -51.4 -51.8 69.7 27.1 162.0 788 94 G K H ><5S+ 0 0 125 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.926 111.8 49.3 -55.5 -43.6 70.9 30.7 161.8 789 95 G D H 3<5S+ 0 0 61 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.847 106.2 55.9 -66.4 -31.8 67.9 31.6 163.9 790 96 G A T 3<5S- 0 0 30 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.443 125.1-100.6 -81.9 5.0 68.7 28.9 166.4 791 97 G G T < 5S+ 0 0 49 -3,-1.4 2,-0.8 -4,-0.4 -3,-0.2 0.497 87.6 121.2 93.0 6.8 72.2 30.3 166.9 792 98 G R >< + 0 0 14 -5,-2.7 4,-1.9 -6,-0.2 -2,-0.1 -0.631 22.8 161.7-114.1 80.6 74.0 27.8 164.7 793 99 G D H > S+ 0 0 77 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.793 77.1 52.9 -61.2 -36.2 75.8 29.6 161.9 794 100 G R H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.971 108.8 48.9 -68.9 -50.7 78.2 26.7 161.1 795 101 G L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.900 110.3 53.2 -48.1 -45.5 75.3 24.3 160.7 796 102 G A H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.916 108.0 49.1 -62.2 -43.2 73.6 26.8 158.4 797 103 G M H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 109.3 52.6 -62.1 -42.3 76.6 27.1 156.2 798 104 G N H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 3,-0.4 0.968 109.8 49.3 -54.8 -52.1 76.8 23.3 156.0 799 105 G F H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.864 107.2 55.2 -56.2 -38.3 73.1 23.3 154.9 800 106 G E H X S+ 0 0 57 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.897 109.4 46.3 -63.8 -38.7 73.9 26.0 152.3 801 107 G R H X S+ 0 0 6 -4,-2.1 4,-2.3 -3,-0.4 -2,-0.2 0.898 110.0 53.8 -64.8 -45.2 76.6 23.8 150.9 802 108 G A H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.918 104.0 58.7 -55.4 -41.4 74.2 20.9 151.0 803 109 G A H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.942 108.2 42.8 -54.2 -50.3 71.8 23.1 149.0 804 110 G E H >< S+ 0 0 10 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.899 108.8 58.9 -66.4 -34.6 74.3 23.5 146.2 805 111 G L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.666 83.0 81.4 -73.4 -14.6 75.2 19.8 146.2 806 112 G T T << S+ 0 0 29 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.1 0.814 91.0 53.9 -57.5 -28.5 71.6 18.7 145.5 807 113 G A T < S+ 0 0 61 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.654 90.5 89.1 -83.1 -13.3 72.2 19.4 141.8 808 114 G V S < S- 0 0 0 -3,-1.6 5,-0.1 -4,-0.2 29,-0.0 -0.745 85.2-117.6 -86.8 124.6 75.3 17.3 141.7 809 115 G P >> - 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0 0 7 37,-0.4 39,-2.7 -4,-0.4 2,-0.2 -0.867 66.7-123.8-130.3 155.0 61.2 3.5 236.4 1692 132 M T > - 0 0 38 -2,-0.3 4,-1.9 37,-0.2 5,-0.1 -0.496 39.0-110.3 -81.4 163.4 58.4 5.1 238.4 1693 133 M K H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.866 121.1 51.3 -55.4 -41.7 57.8 8.9 238.2 1694 134 M E H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 105.4 53.9 -70.0 -39.9 59.1 9.2 241.7 1695 135 M E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 107.3 51.3 -62.6 -42.7 62.2 7.2 241.0 1696 136 M L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.934 110.6 48.8 -62.1 -42.4 63.1 9.5 238.2 1697 137 M L H X S+ 0 0 45 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.855 108.8 52.6 -66.5 -34.1 62.7 12.6 240.4 1698 138 M A H X S+ 0 0 58 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.929 109.3 50.4 -65.2 -42.4 64.8 11.0 243.2 1699 139 M I H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.948 111.2 48.6 -59.5 -44.4 67.4 10.5 240.5 1700 140 M A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 110.1 50.8 -64.6 -39.9 67.1 14.1 239.6 1701 141 M D H X S+ 0 0 85 -4,-3.0 4,-4.1 2,-0.2 5,-0.3 0.926 111.0 49.2 -62.0 -41.1 67.3 15.3 243.2 1702 142 M D H X>S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 5,-1.2 0.941 109.0 51.7 -62.4 -47.9 70.5 13.3 243.7 1703 143 M L H X5S+ 0 0 0 -4,-2.5 6,-3.1 -5,-0.2 4,-0.6 0.934 118.8 38.8 -53.6 -45.2 72.1 14.6 240.5 1704 144 M E H X5S+ 0 0 66 -4,-2.2 4,-0.9 4,-0.3 -2,-0.2 0.964 123.6 36.9 -71.6 -51.4 71.3 18.1 241.8 1705 145 M S H <5S+ 0 0 93 -4,-4.1 -3,-0.2 -5,-0.2 -2,-0.2 0.958 129.9 25.5 -74.7 -49.5 72.0 17.7 245.5 1706 146 M R H <5S+ 0 0 139 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.746 136.2 26.4 -86.4 -24.0 75.1 15.3 245.5 1707 147 M Y H < + 0 0 0 -6,-3.1 4,-2.2 1,-0.2 -1,-0.2 -0.594 9.3 164.2 -89.9 73.9 74.5 18.3 238.0 1710 150 M K H > + 0 0 98 -2,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.879 68.9 47.0 -59.4 -48.7 71.8 21.0 237.6 1711 151 M I H > S+ 0 0 70 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.947 114.5 45.4 -66.2 -48.7 71.3 20.6 233.8 1712 152 M C H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.886 111.1 54.2 -65.3 -32.8 71.0 16.8 233.9 1713 153 M A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 111.0 45.7 -61.1 -45.4 68.7 17.0 236.9 1714 154 M A H X S+ 0 0 52 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 112.1 52.4 -63.7 -40.8 66.4 19.3 235.0 1715 155 M F H X S+ 0 0 7 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.884 110.0 47.3 -59.4 -44.5 66.7 17.0 231.9 1716 156 M V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.863 111.1 52.3 -68.1 -34.7 65.7 14.0 234.0 1717 157 M R H X S+ 0 0 67 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.861 107.9 51.5 -64.4 -41.3 62.8 15.9 235.5 1718 158 M E H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.902 110.7 48.6 -64.1 -42.6 61.6 16.9 232.0 1719 159 M A H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.895 106.4 56.7 -58.8 -46.2 61.7 13.2 231.0 1720 160 M A H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.935 109.0 46.3 -53.9 -50.1 59.8 12.1 234.1 1721 161 M T H >X S+ 0 0 75 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.911 115.6 44.4 -57.3 -51.9 56.9 14.4 233.2 1722 162 M L H 3X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.861 105.3 61.4 -68.5 -34.1 56.8 13.4 229.6 1723 163 M Y H 3<>S+ 0 0 1 -4,-3.5 5,-1.7 2,-0.2 6,-0.7 0.779 101.9 55.9 -65.9 -18.3 57.1 9.7 230.5 1724 164 M V H X<5S+ 0 0 66 -4,-0.9 3,-1.2 -3,-0.6 -2,-0.2 0.997 112.7 38.4 -66.8 -60.2 53.9 10.1 232.4 1725 165 M E H 3<5S+ 0 0 84 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.1 0.743 121.9 43.6 -58.3 -37.5 51.9 11.4 229.4 1726 166 M R T 3<5S- 0 0 76 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.312 107.7-126.0-103.0 13.0 53.6 9.1 226.9 1727 167 M K T < 5 + 0 0 123 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.829 64.8 134.0 52.0 54.6 53.3 6.1 229.2 1728 168 M K < + 0 0 19 -5,-1.7 -39,-3.9 -6,-0.1 -38,-0.5 0.118 40.1 110.7-114.4 15.4 57.0 4.9 229.3 1729 169 M L S > S- 0 0 18 -6,-0.7 3,-2.1 -40,-0.2 4,-0.2 -0.407 85.7 -70.2 -84.0 165.4 57.0 4.4 233.0 1730 170 M K T 3 S+ 0 0 115 -39,-2.7 -1,-0.2 1,-0.3 -40,-0.1 -0.310 124.8 23.9 -51.7 130.6 57.2 1.1 234.9 1731 171 M G T 3 S+ 0 0 62 -42,-0.4 -1,-0.3 -3,-0.1 -41,-0.0 0.459 94.7 101.2 88.7 -0.1 53.9 -0.8 234.4 1732 172 M D < 0 0 48 -3,-2.1 -2,-0.1 1,-0.2 -3,-0.0 0.479 360.0 360.0 -93.3 -4.6 53.0 1.1 231.2 1733 173 M D 0 0 68 -4,-0.2 -145,-2.1 -44,-0.1 -144,-0.2 0.666 360.0 360.0 -87.7 360.0 54.0 -1.8 228.9