==== 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 HYDROLASE 21-MAY-08 3D7G . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,C.BARINKA . 691 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 28 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 1 1 1 4 2 3 1 1 0 0 0 0 1 1 0 3 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 1 2 0 0 1 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 . 7 1 1 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 0 0 0 0 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 55 A K 0 0 211 0, 0.0 2,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 163.0 16.1 46.2 82.1 2 56 A H + 0 0 48 4,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.872 360.0 124.4-110.8 90.7 14.4 46.6 78.7 3 57 A N S > S- 0 0 57 -2,-0.7 4,-1.9 1,-0.0 3,-0.2 -0.686 79.8 -78.2-136.4-171.7 16.7 49.0 76.7 4 58 A M H > S+ 0 0 38 1,-0.2 4,-3.2 -2,-0.2 5,-0.3 0.900 127.4 58.7 -67.8 -36.1 18.5 48.8 73.5 5 59 A K H > S+ 0 0 141 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.911 104.5 50.8 -55.1 -44.5 21.3 46.6 75.0 6 60 A A H > S+ 0 0 25 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.926 113.3 46.3 -56.2 -49.4 18.7 44.0 76.0 7 61 A F H >X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.943 114.6 45.5 -57.2 -51.3 17.4 44.0 72.5 8 62 A L H >< S+ 0 0 18 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.877 109.8 54.6 -64.9 -38.0 20.8 43.8 70.8 9 63 A D H 3< S+ 0 0 92 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.738 100.4 60.6 -70.8 -21.8 22.1 41.1 73.2 10 64 A E H << S+ 0 0 58 -4,-1.1 -1,-0.3 -3,-0.6 2,-0.2 0.756 82.1 98.9 -77.6 -24.2 19.2 38.8 72.4 11 65 A L << - 0 0 6 -3,-0.9 2,-0.4 -4,-0.7 333,-0.1 -0.483 60.2-163.1 -63.8 133.8 20.2 38.8 68.6 12 66 A K >> - 0 0 87 -2,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.969 27.3-149.2-129.3 129.1 22.2 35.5 67.8 13 67 A A H 3> S+ 0 0 22 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.855 102.2 59.3 -53.4 -40.5 24.4 34.7 64.8 14 68 A E H 3> S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 104.7 48.6 -62.6 -34.9 23.4 31.0 65.2 15 69 A N H <> S+ 0 0 37 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.899 108.6 52.4 -72.2 -42.5 19.7 31.9 64.7 16 70 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.930 110.7 50.0 -57.1 -44.3 20.4 34.0 61.6 17 71 A K H X S+ 0 0 55 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 110.4 48.6 -59.8 -49.5 22.3 31.0 60.2 18 72 A K H X S+ 0 0 118 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.4 47.1 -59.0 -44.7 19.5 28.6 60.9 19 73 A F H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.930 109.7 52.9 -64.6 -42.0 16.9 30.9 59.3 20 74 A L H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 3,-0.3 0.952 110.6 48.0 -58.9 -48.3 19.1 31.4 56.2 21 75 A Y H >< S+ 0 0 110 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.943 111.5 50.9 -53.5 -47.8 19.4 27.7 55.8 22 76 A N H 3< S+ 0 0 75 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.799 111.3 47.4 -61.3 -32.8 15.7 27.3 56.2 23 77 A F H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.468 110.4 51.3 -88.9 -2.1 14.8 30.0 53.6 24 78 A T S << S+ 0 0 0 -3,-1.3 479,-0.4 -4,-0.6 -1,-0.2 0.240 73.6 95.0-128.3 15.6 17.2 28.8 50.9 25 79 A Q S S+ 0 0 60 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.723 95.9 21.0 -78.4 -27.7 16.5 25.0 50.3 26 80 A I S S- 0 0 78 303,-0.2 76,-0.1 302,-0.1 -1,-0.1 -0.944 95.6 -87.8-134.8 160.0 14.1 25.6 47.4 27 81 A P - 0 0 3 0, 0.0 302,-0.2 0, 0.0 301,-0.1 -0.354 27.9-163.5 -66.6 151.4 13.4 28.5 44.9 28 82 A H + 0 0 9 300,-1.5 298,-2.0 6,-0.1 300,-0.1 -0.434 18.4 174.6-131.0 56.0 10.9 31.1 46.1 29 83 A L > - 0 0 12 296,-0.2 3,-1.8 73,-0.2 6,-0.4 -0.394 42.5 -95.3 -64.3 138.5 10.1 32.9 42.8 30 84 A A T 3 S+ 0 0 0 296,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.274 108.9 20.7 -56.1 141.4 7.3 35.5 43.1 31 85 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.3 269,-0.1 2,-0.3 0.444 98.6 118.3 78.7 1.7 3.9 34.2 42.2 32 86 A T S X> S- 0 0 36 -3,-1.8 4,-1.6 1,-0.1 3,-0.6 -0.667 75.2-116.5 -96.4 160.1 4.8 30.6 42.7 33 87 A E H 3> S+ 0 0 109 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.883 113.1 58.6 -58.7 -39.8 3.3 28.1 45.2 34 88 A Q H 3> S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 106.2 48.6 -60.5 -34.2 6.6 27.7 47.1 35 89 A N H <> S+ 0 0 1 -3,-0.6 4,-2.0 -6,-0.4 -1,-0.2 0.837 109.2 51.8 -79.1 -29.6 6.7 31.4 47.8 36 90 A F H X S+ 0 0 50 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.926 109.3 52.0 -67.4 -42.4 3.1 31.5 49.1 37 91 A Q H X S+ 0 0 83 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.918 109.1 48.3 -61.6 -40.1 4.1 28.6 51.4 38 92 A L H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.909 108.2 55.7 -65.7 -41.7 7.0 30.5 52.7 39 93 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.926 109.1 47.0 -47.8 -50.2 4.8 33.6 53.3 40 94 A K H X S+ 0 0 74 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.874 110.9 52.4 -65.3 -37.8 2.4 31.4 55.4 41 95 A Q H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.941 111.2 45.4 -62.3 -48.9 5.4 30.0 57.3 42 96 A I H X S+ 0 0 7 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.932 111.0 54.1 -62.6 -42.1 6.7 33.5 58.1 43 97 A Q H X S+ 0 0 34 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.958 111.4 45.5 -55.7 -49.9 3.2 34.6 59.1 44 98 A S H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 114.7 47.4 -61.0 -43.9 3.0 31.7 61.5 45 99 A Q H X S+ 0 0 41 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.903 107.8 53.3 -68.1 -43.8 6.4 32.3 63.0 46 100 A W H X>S+ 0 0 6 -4,-3.1 5,-2.0 -5,-0.2 4,-0.6 0.876 109.9 50.7 -57.3 -35.0 6.0 36.0 63.5 47 101 A K H ><5S+ 0 0 106 -4,-1.7 3,-1.3 -5,-0.3 -2,-0.2 0.954 112.1 46.4 -63.4 -49.4 2.8 35.2 65.4 48 102 A E H 3<5S+ 0 0 110 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.867 105.2 60.8 -62.1 -38.7 4.7 32.7 67.6 49 103 A F H 3<5S- 0 0 28 -4,-3.0 -1,-0.3 -5,-0.2 304,-0.2 0.702 126.1 -99.1 -64.8 -20.4 7.5 35.2 68.1 50 104 A G T <<5 + 0 0 7 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.491 64.9 154.0 121.9 6.3 5.0 37.5 69.8 51 105 A L < - 0 0 11 -5,-2.0 -1,-0.2 1,-0.1 257,-0.2 -0.317 46.8-126.6 -65.8 151.6 3.7 40.2 67.3 52 106 A D S S+ 0 0 55 255,-1.3 2,-0.3 1,-0.2 256,-0.2 0.876 87.9 1.4 -65.5 -38.3 0.2 41.6 68.0 53 107 A S E -A 307 0A 49 254,-1.2 254,-2.8 -7,-0.0 2,-0.3 -0.988 59.0-173.3-149.8 145.7 -1.1 40.9 64.5 54 108 A V E +A 306 0A 0 -2,-0.3 2,-0.3 252,-0.2 252,-0.3 -0.920 18.5 168.7-142.5 113.4 0.4 39.3 61.4 55 109 A E E -A 305 0A 115 250,-2.7 250,-2.9 -2,-0.3 2,-0.5 -0.869 33.0-124.0-125.3 159.1 -1.6 39.3 58.2 56 110 A L E -A 304 0A 42 -2,-0.3 2,-0.6 248,-0.2 248,-0.2 -0.883 19.6-161.6 -97.3 135.8 -1.0 38.6 54.5 57 111 A A E -A 303 0A 19 246,-2.6 246,-3.0 -2,-0.5 2,-0.3 -0.979 16.7-167.8-114.0 119.0 -1.8 41.4 52.1 58 112 A H E +A 302 0A 78 -2,-0.6 2,-0.3 244,-0.2 244,-0.2 -0.761 12.4 178.4-113.7 156.7 -2.3 40.1 48.6 59 113 A Y E -A 301 0A 1 242,-1.7 242,-2.9 -2,-0.3 2,-0.6 -0.953 28.7-126.9-147.0 156.5 -2.5 41.8 45.1 60 114 A D E +A 300 0A 21 160,-2.2 2,-0.3 -2,-0.3 240,-0.2 -0.939 43.8 166.3-112.6 107.0 -2.8 40.5 41.5 61 115 A V E -A 299 0A 0 238,-2.3 238,-2.9 -2,-0.6 2,-0.5 -0.784 43.5 -89.5-123.5 161.0 0.0 42.1 39.5 62 116 A L E +A 298 0A 5 -2,-0.3 236,-0.3 236,-0.2 2,-0.2 -0.583 50.7 169.8 -72.1 120.0 1.6 41.6 36.1 63 117 A L E -A 297 0A 0 234,-2.6 234,-2.7 -2,-0.5 2,-0.3 -0.586 21.5-138.9-118.4 179.8 4.5 39.1 36.3 64 118 A S E +A 296 0A 0 232,-0.3 232,-0.2 -2,-0.2 45,-0.1 -0.993 20.5 172.5-147.3 136.5 6.6 37.4 33.5 65 119 A Y E -A 295 0A 34 230,-2.1 230,-2.4 -2,-0.3 43,-0.0 -0.994 34.6-104.4-147.7 146.3 7.8 33.9 33.1 66 120 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 228,-0.1 -0.301 43.8-102.7 -62.6 157.9 9.5 31.8 30.4 67 121 A N > - 0 0 55 3,-0.4 3,-1.7 1,-0.1 226,-0.1 -0.771 27.5-149.7 -83.8 112.2 7.4 29.3 28.5 68 122 A K T 3 S+ 0 0 192 -2,-0.7 -1,-0.1 1,-0.3 226,-0.0 0.764 95.0 40.6 -52.7 -30.1 8.3 25.9 30.0 69 123 A T T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.263 118.0 46.8-106.4 14.1 7.6 24.0 26.7 70 124 A H S < S- 0 0 83 -3,-1.7 -3,-0.4 223,-0.0 -1,-0.2 -0.496 84.9-152.8-154.3 74.8 9.2 26.6 24.4 71 125 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.023 12.8-118.7 -65.3 148.8 12.6 27.7 25.7 72 126 A N + 0 0 13 17,-0.2 2,-0.3 34,-0.2 220,-0.2 -0.638 47.1 144.8 -79.0 139.1 14.3 31.0 25.1 73 127 A Y E -I 291 0B 49 218,-1.7 218,-2.1 -2,-0.3 2,-0.4 -0.980 38.8-127.4-164.3 170.4 17.7 31.0 23.4 74 128 A I E -I 290 0B 0 -2,-0.3 13,-2.8 216,-0.2 2,-0.3 -0.965 24.8-167.2-122.9 144.5 19.9 32.9 20.9 75 129 A S E -IJ 289 86B 0 214,-3.0 214,-2.9 -2,-0.4 2,-0.5 -0.912 27.1-133.9-123.9 153.8 21.6 31.4 17.8 76 130 A I E -IJ 288 85B 2 9,-1.7 8,-1.9 -2,-0.3 9,-1.3 -0.945 37.5-161.3 -94.9 129.8 24.2 32.3 15.2 77 131 A I E -IJ 287 83B 9 210,-2.9 210,-2.6 -2,-0.5 6,-0.2 -0.951 4.7-140.0-118.4 126.6 22.4 31.4 12.0 78 132 A N > - 0 0 37 4,-3.0 3,-2.7 -2,-0.4 4,-0.1 -0.291 40.6 -80.6 -79.6 176.6 24.2 30.8 8.7 79 133 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.2 207,-0.0 0.662 129.3 48.2 -44.9 -33.2 23.1 31.9 5.2 80 134 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.400 123.0-101.1 -90.2 -0.3 20.6 29.0 4.7 81 135 A G S < S+ 0 0 41 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.706 71.6 150.4 82.3 21.0 19.0 29.6 8.1 82 136 A N - 0 0 89 -4,-0.1 -4,-3.0 1,-0.0 2,-1.0 -0.743 48.6-129.5 -81.0 134.1 20.8 26.8 9.8 83 137 A E E +J 77 0B 65 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.741 31.4 175.9 -84.6 103.4 21.4 27.5 13.5 84 138 A I E + 0 0 82 -8,-1.9 2,-0.3 -2,-1.0 -1,-0.2 0.656 66.5 23.1 -88.6 -14.5 25.1 26.7 13.9 85 139 A F E -J 76 0B 36 -9,-1.3 -9,-1.7 2,-0.0 2,-0.4 -0.982 66.0-169.0-149.2 136.0 25.5 27.8 17.5 86 140 A N E -J 75 0B 79 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.994 21.9-124.6-124.4 140.0 22.8 28.0 20.3 87 141 A T - 0 0 5 -13,-2.8 156,-0.0 -2,-0.4 -2,-0.0 -0.318 49.0 -74.9 -73.2 166.7 23.2 29.6 23.7 88 142 A S - 0 0 42 1,-0.1 -1,-0.1 -15,-0.1 -14,-0.1 -0.143 25.5-147.1 -64.0 150.9 22.4 27.4 26.8 89 143 A L S S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.1 -17,-0.2 0.558 82.0 1.4 -91.2 -10.1 18.8 26.5 27.8 90 144 A F S S- 0 0 128 15,-0.1 -1,-0.2 107,-0.0 14,-0.0 -0.975 79.3 -96.2-166.5 159.6 19.7 26.6 31.6 91 145 A E - 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0 0 24 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.0 -0.545 28.8-178.0 -89.0 152.5 7.8 45.6 77.1 357 411 A R - 0 0 63 -2,-0.2 -47,-0.1 -49,-0.0 4,-0.1 -0.979 30.8-111.7-142.4 144.8 6.4 47.5 74.2 358 412 A P - 0 0 0 0, 0.0 -47,-2.9 0, 0.0 -46,-0.3 -0.381 27.6-117.3 -69.2 163.3 8.1 50.1 72.0 359 413 A R S S+ 0 0 48 173,-0.5 -46,-2.7 -49,-0.3 -47,-2.1 0.963 100.1 33.2 -64.0 -51.2 7.0 53.7 72.4 360 414 A R E S- c 0 313A 0 172,-2.7 -49,-0.2 -50,-0.2 2,-0.2 -0.612 101.4 -89.2-102.1 164.3 5.8 53.8 68.7 361 415 A T E - c 0 317A 6 -45,-1.8 -43,-2.5 -48,-1.0 2,-0.5 -0.452 36.1-151.7 -74.5 135.4 4.3 51.1 66.6 362 416 A I E -Bc 308 318A 0 -54,-2.3 -54,-2.7 -45,-0.2 2,-0.4 -0.947 7.1-162.8-109.8 130.3 6.7 48.9 64.6 363 417 A L E -Bc 307 319A 14 -45,-2.7 -43,-2.8 -2,-0.5 2,-0.4 -0.946 2.4-162.0-111.5 137.1 5.6 47.3 61.4 364 418 A F E -Bc 306 320A 0 -58,-2.7 -58,-3.0 -2,-0.4 2,-0.4 -0.955 9.3-168.6-119.2 137.0 7.5 44.4 59.9 365 419 A A E -Bc 305 321A 3 -45,-2.3 -43,-1.9 -2,-0.4 2,-0.6 -0.981 23.6-166.7-135.4 138.2 7.1 43.5 56.3 366 420 A S E -Bc 304 322A 8 -62,-2.2 -62,-2.1 -2,-0.4 -43,-0.3 -0.954 33.5-153.6-114.6 97.3 8.2 40.5 54.1 367 421 A W E - c 0 323A 0 -45,-2.4 -43,-2.8 -2,-0.6 -42,-0.8 -0.511 3.7-144.5 -79.7 151.8 7.5 41.9 50.6 368 422 A D S S+ 0 0 2 -45,-0.2 8,-1.7 1,-0.2 9,-0.4 -0.703 72.3 18.0-105.9 163.5 6.7 39.9 47.5 369 423 A A > + 0 0 0 -2,-0.3 6,-1.8 6,-0.2 3,-0.6 0.732 67.9 140.9 56.4 27.2 7.7 40.4 43.9 370 424 A E G >> S+ 0 0 13 4,-0.3 4,-2.4 -3,-0.3 3,-2.0 0.921 70.9 59.5 -60.3 -37.5 10.5 42.9 44.6 371 425 A E G 34 S+ 0 0 9 1,-0.3 -168,-0.7 2,-0.2 -1,-0.2 0.745 100.4 55.6 -68.9 -17.3 12.4 41.1 41.8 372 426 A F G <4 S- 0 0 0 -3,-0.6 -1,-0.3 -170,-0.1 -2,-0.2 0.228 141.5 -55.1-101.8 17.8 9.7 42.1 39.3 373 427 A G T <4 S- 0 0 4 -3,-2.0 -162,-0.3 -170,-0.1 -2,-0.2 0.702 84.1 -70.4 120.3 33.6 9.8 45.8 40.0 374 428 A L S X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.2 -4,-0.3 0.843 83.4 153.3 64.0 34.9 9.3 46.5 43.7 375 429 A L H > + 0 0 0 -6,-1.8 4,-2.7 1,-0.2 -163,-0.3 0.896 59.2 47.4 -72.6 -45.3 5.7 45.4 43.2 376 430 A G H > S+ 0 0 0 -8,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.938 115.9 42.9 -62.4 -47.6 4.7 44.1 46.6 377 431 A S H > S+ 0 0 0 -9,-0.4 4,-2.6 1,-0.2 5,-0.2 0.928 117.1 48.9 -66.6 -44.0 6.0 47.1 48.6 378 432 A T H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.933 110.8 46.7 -65.4 -44.8 4.6 49.6 46.1 379 433 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.903 114.3 49.8 -63.1 -42.5 1.1 48.1 45.8 380 434 A W H X S+ 0 0 22 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.929 111.9 47.1 -61.4 -44.4 0.9 47.9 49.7 381 435 A A H < S+ 0 0 1 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.872 110.6 53.3 -64.1 -38.2 2.1 51.6 50.0 382 436 A E H >< S+ 0 0 8 -4,-2.6 3,-0.7 -5,-0.2 4,-0.2 0.924 111.3 46.1 -60.1 -43.3 -0.5 52.6 47.3 383 437 A E H 3< S+ 0 0 84 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.909 125.0 31.5 -63.9 -43.5 -3.2 50.9 49.3 384 438 A N T >X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.135 79.2 122.6-102.7 20.6 -2.0 52.5 52.7 385 439 A S H <> S+ 0 0 20 -3,-0.7 4,-3.0 -4,-0.4 5,-0.2 0.824 73.0 53.0 -62.9 -35.6 -0.6 55.8 51.4 386 440 A R H 3> S+ 0 0 174 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.3 0.898 112.1 45.1 -65.8 -40.6 -2.9 58.0 53.6 387 441 A L H <> S+ 0 0 67 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.924 117.5 44.7 -64.3 -43.5 -1.9 56.1 56.8 388 442 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.913 109.9 54.5 -69.9 -41.2 1.8 56.2 55.8 389 443 A Q H < S+ 0 0 54 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.873 120.5 31.0 -54.2 -46.6 1.7 59.9 54.7 390 444 A E H < S+ 0 0 103 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.695 134.6 25.7 -95.6 -14.1 0.3 61.0 58.1 391 445 A R H < S+ 0 0 88 -4,-2.0 -74,-2.7 -5,-0.2 2,-0.6 0.476 83.8 116.9-125.6 -8.1 1.8 58.5 60.5 392 446 A G E < +d 317 0A 0 -4,-2.5 85,-0.3 -5,-0.2 -74,-0.2 -0.541 27.5 171.5 -77.4 113.9 5.1 57.2 58.8 393 447 A V E - 0 0 1 -76,-2.8 84,-0.5 -2,-0.6 2,-0.3 0.935 62.2 -24.8 -80.5 -50.2 8.2 58.0 60.9 394 448 A A E -de 318 477A 0 -77,-1.2 -75,-2.8 82,-0.1 2,-0.4 -0.992 46.2-142.0-164.1 156.5 10.8 56.0 59.0 395 449 A Y E -de 319 478A 0 82,-2.3 84,-2.1 -2,-0.3 2,-0.5 -0.994 11.9-167.8-128.0 123.8 11.4 53.0 56.8 396 450 A I E -de 320 479A 1 -77,-3.1 -75,-2.5 -2,-0.4 84,-0.2 -0.960 17.4-143.2-111.2 124.5 14.5 50.8 57.2 397 451 A N E -d 321 0A 2 82,-2.8 84,-0.4 -2,-0.5 -75,-0.2 -0.469 12.9-168.5 -83.4 162.1 15.1 48.4 54.3 398 452 A A + 0 0 0 -77,-1.5 -57,-0.2 -2,-0.1 3,-0.1 -0.372 32.1 133.0-151.8 58.5 16.4 44.9 54.8 399 453 A D S S- 0 0 4 1,-0.3 -66,-0.1 -77,-0.2 66,-0.0 -0.040 72.8 -3.0 -82.7-154.6 17.4 43.2 51.5 400 454 A S - 0 0 2 1,-0.2 -1,-0.3 -63,-0.1 -67,-0.1 0.070 58.6-157.2 -42.3 126.5 20.8 41.4 51.3 401 455 A S S S+ 0 0 0 -69,-0.3 82,-3.0 -3,-0.1 2,-0.4 0.699 77.2 33.8 -77.3 -19.3 22.7 41.7 54.5 402 456 A I B +f 483 0A 1 80,-0.2 82,-0.2 -70,-0.2 -1,-0.1 -0.986 39.2 158.0-138.1 141.3 26.0 41.1 52.7 403 457 A E S S- 0 0 10 80,-1.6 2,-0.3 1,-0.4 82,-0.2 0.162 87.5 -8.2-135.4 10.2 27.5 41.8 49.3 404 458 A G - 0 0 7 79,-0.3 -1,-0.4 80,-0.2 81,-0.2 -0.942 64.2-119.1 177.3-177.0 31.1 41.5 50.6 405 459 A N S S+ 0 0 79 -2,-0.3 80,-0.2 -3,-0.1 3,-0.1 0.073 82.9 92.2-134.0 26.3 32.9 41.1 53.9 406 460 A Y S S- 0 0 69 78,-2.3 2,-0.3 1,-0.3 79,-0.2 0.939 91.2 -35.9 -91.6 -56.1 35.1 44.2 53.9 407 461 A T E -G 484 0A 3 77,-1.5 77,-3.1 39,-0.1 -1,-0.3 -0.937 69.0 -66.7-158.9 175.2 33.2 46.9 55.7 408 462 A L E -G 483 0A 1 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.473 35.3-161.7 -70.8 147.4 29.8 48.5 56.5 409 463 A R E +G 482 0A 34 73,-2.7 73,-2.2 -2,-0.2 2,-0.4 -1.000 11.3 177.5-126.9 130.0 27.8 50.3 53.8 410 464 A V E +G 481 0A 1 -2,-0.4 49,-2.0 47,-0.4 2,-0.4 -0.999 8.8 179.7-131.6 135.5 25.0 52.7 54.7 411 465 A D E +Gh 480 459A 3 69,-2.0 69,-2.0 -2,-0.4 2,-0.3 -1.000 30.1 131.6-127.1 130.5 22.8 54.8 52.3 412 466 A C E -G 479 0A 1 47,-1.7 67,-0.2 -2,-0.4 49,-0.1 -0.986 58.1 -70.7-164.7 170.6 20.2 56.9 54.0 413 467 A T > - 0 0 0 65,-2.2 3,-2.4 -2,-0.3 4,-0.3 -0.443 47.1-115.3 -66.0 146.7 18.6 60.3 54.4 414 468 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.796 112.5 73.9 -51.6 -27.7 20.7 63.0 56.0 415 469 A L G 3 S+ 0 0 0 1,-0.3 125,-1.1 2,-0.1 4,-0.3 0.727 99.4 45.1 -60.6 -21.4 18.1 63.0 58.8 416 470 A M G <> S+ 0 0 0 -3,-2.4 4,-2.6 62,-0.2 -1,-0.3 0.451 82.7 97.3-102.8 3.4 19.5 59.7 60.0 417 471 A Y H <> S+ 0 0 30 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.916 87.6 44.5 -57.8 -49.9 23.3 60.5 59.8 418 472 A S H > S+ 0 0 32 -4,-0.5 4,-2.9 2,-0.2 5,-0.2 0.912 111.8 52.7 -63.9 -40.2 23.7 61.3 63.5 419 473 A L H > S+ 0 0 9 119,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.936 112.2 46.1 -58.0 -45.7 21.6 58.3 64.5 420 474 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.931 112.7 49.2 -65.1 -45.9 23.9 56.0 62.4 421 475 A H H X S+ 0 0 19 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.939 115.2 45.1 -59.2 -49.2 27.1 57.6 63.7 422 476 A N H X S+ 0 0 103 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.885 113.5 47.8 -63.6 -43.2 26.0 57.2 67.3 423 477 A L H >< S+ 0 0 8 -4,-2.7 3,-1.5 -5,-0.2 4,-0.3 0.929 110.4 51.2 -66.1 -43.0 24.7 53.7 67.0 424 478 A T H >< S+ 0 0 0 -4,-2.7 16,-2.1 1,-0.3 3,-0.7 0.759 102.0 61.2 -69.9 -22.2 27.8 52.4 65.3 425 479 A K H 3< S+ 0 0 102 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.698 107.0 47.6 -71.1 -17.7 30.0 53.9 68.0 426 480 A E T << S+ 0 0 153 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.358 99.2 81.9-101.2 -6.9 28.2 51.6 70.5 427 481 A L S < S- 0 0 7 -3,-0.7 12,-2.6 -4,-0.3 13,-0.4 -0.817 81.6-113.7-103.7 150.8 28.5 48.4 68.4 428 482 A K B -U 438 0I 159 -2,-0.3 10,-0.2 10,-0.3 7,-0.1 -0.591 29.5-116.9 -80.1 138.1 31.5 46.1 68.3 429 483 A S - 0 0 12 8,-2.9 7,-0.3 5,-0.3 8,-0.2 -0.562 16.0-160.0 -69.9 135.8 33.5 45.8 65.0 430 484 A P + 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.456 55.8 116.0 -88.4 -2.6 33.3 42.2 63.6 431 485 A D S > S- 0 0 1 3,-0.2 3,-1.6 1,-0.1 2,-0.2 -0.363 74.1-110.9 -75.7 144.2 36.4 42.9 61.4 432 486 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.514 107.6 28.1 -66.6 133.8 39.7 41.1 61.9 433 487 A G T 3 S+ 0 0 58 -2,-0.2 -1,-0.2 4,-0.0 -2,-0.1 0.292 110.4 73.8 97.2 -14.3 42.3 43.5 63.3 434 488 A F X + 0 0 28 -3,-1.6 3,-2.4 3,-0.1 -5,-0.3 -0.008 59.1 151.1-119.2 27.8 39.6 45.6 65.0 435 489 A E T 3 S+ 0 0 131 1,-0.3 3,-0.1 -5,-0.1 -3,-0.0 -0.382 75.0 14.3 -64.6 136.9 38.8 43.3 67.8 436 490 A G T 3 S+ 0 0 76 -7,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.470 106.6 111.2 72.6 2.9 37.6 45.4 70.8 437 491 A K S < S- 0 0 96 -3,-2.4 -8,-2.9 -8,-0.2 -1,-0.3 -0.695 74.1-101.9-100.8 160.3 37.2 48.5 68.6 438 492 A S B > -U 428 0I 30 -2,-0.3 4,-1.9 -10,-0.2 -10,-0.3 -0.436 22.6-119.7 -75.5 156.9 33.8 50.0 67.7 439 493 A L H > S+ 0 0 0 -12,-2.6 4,-3.1 -15,-0.6 5,-0.3 0.892 116.1 59.9 -56.6 -41.3 32.1 49.4 64.3 440 494 A Y H > S+ 0 0 29 -16,-2.1 4,-2.6 -13,-0.4 5,-0.2 0.923 104.5 49.0 -53.8 -44.4 32.3 53.2 63.8 441 495 A E H > S+ 0 0 87 -17,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.944 115.3 41.2 -65.6 -45.4 36.1 53.0 64.1 442 496 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.934 116.9 49.3 -69.4 -42.8 36.5 50.1 61.6 443 497 A W H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 14,-0.3 0.922 111.8 47.6 -60.8 -47.1 34.0 51.5 59.2 444 498 A T H < S+ 0 0 19 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.899 113.5 48.7 -65.2 -36.2 35.5 55.0 59.2 445 499 A K H < S+ 0 0 153 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.957 119.3 37.0 -67.3 -46.3 39.0 53.7 58.7 446 500 A K H < S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.702 129.5 30.6 -79.5 -25.1 38.0 51.4 55.7 447 501 A S S < S- 0 0 24 -4,-2.4 10,-2.9 -5,-0.2 -1,-0.2 -0.597 79.8-172.7-136.1 68.4 35.4 53.7 54.1 448 502 A P B -V 456 0J 79 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.380 30.8-108.5 -65.4 140.6 36.4 57.4 54.8 449 503 A S - 0 0 17 6,-3.4 6,-0.2 3,-0.5 5,-0.1 -0.459 16.2-142.0 -61.8 136.6 34.1 60.1 53.8 450 504 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.776 101.4 38.9 -73.6 -21.9 35.3 62.1 50.8 451 505 A E S S+ 0 0 143 1,-0.2 2,-0.4 4,-0.0 6,-0.0 0.886 114.9 46.6 -85.2 -42.2 34.0 65.3 52.4 452 506 A F S > S- 0 0 90 3,-0.1 3,-1.3 4,-0.1 -3,-0.5 -0.872 70.2-131.2-122.4 132.5 34.8 64.9 56.1 453 507 A S T 3 S+ 0 0 128 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.502 95.6 12.9 -74.8 137.1 37.8 63.8 58.1 454 508 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 -2,-0.2 -10,-0.1 0.616 106.9 109.4 76.9 8.6 37.2 61.2 60.8 455 509 A M < - 0 0 59 -3,-1.3 -6,-3.4 -6,-0.2 -1,-0.3 -0.950 66.7-123.2-114.5 142.5 33.7 60.5 59.3 456 510 A P B -V 448 0J 5 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.411 33.9 -96.4 -78.4 156.8 32.6 57.4 57.4 457 511 A R + 0 0 114 -10,-2.9 -47,-0.4 -14,-0.3 2,-0.4 -0.515 40.3 179.6 -66.8 129.3 31.1 57.4 53.9 458 512 A I - 0 0 24 -2,-0.3 -47,-0.2 -49,-0.1 2,-0.1 -0.979 16.7-149.2-131.6 125.1 27.3 57.4 53.9 459 513 A S B -h 411 0A 20 -49,-2.0 -47,-1.7 -2,-0.4 2,-0.1 -0.457 18.9-100.5 -91.9 165.4 25.7 57.4 50.4 460 514 A K - 0 0 50 -49,-0.2 2,-0.4 -2,-0.1 185,-0.3 -0.425 44.6-102.7 -73.3 157.9 22.5 58.9 49.1 461 515 A L + 0 0 2 -49,-0.1 185,-0.2 1,-0.1 -1,-0.1 -0.663 44.0 174.0 -80.0 134.4 19.6 56.5 48.5 462 516 A G - 0 0 2 -2,-0.4 2,-0.2 181,-0.2 182,-0.2 0.382 29.9-105.9-102.5-115.4 19.1 55.6 44.9 463 517 A S S S+ 0 0 2 180,-0.7 -1,-0.2 179,-0.2 3,-0.1 -0.815 71.0 110.0-159.9-159.4 16.6 53.0 44.0 464 518 A G S S+ 0 0 18 1,-0.3 2,-0.3 -2,-0.2 -90,-0.1 0.710 82.8 76.3 83.6 17.2 16.4 49.3 42.8 465 519 A N S > S- 0 0 5 -3,-0.1 3,-1.9 -92,-0.1 -1,-0.3 -0.973 96.2 -89.8-156.7 171.5 14.9 48.3 46.2 466 520 A D T 3> S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.5 0.575 109.7 72.5 -69.4 -6.7 11.8 48.4 48.3 467 521 A F H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.1 5,-0.4 0.630 74.5 90.6 -74.6 -10.8 12.4 51.8 50.0 468 522 A E H <>>S+ 0 0 5 -3,-1.9 4,-1.5 1,-0.2 5,-1.1 0.906 86.7 43.8 -54.6 -49.7 11.7 53.6 46.7 469 523 A V H 4>S+ 0 0 3 -3,-0.5 5,-2.3 1,-0.2 4,-0.5 0.898 116.8 47.6 -66.3 -39.1 7.9 54.1 47.3 470 524 A F H <5S+ 0 0 0 -4,-0.5 6,-2.9 3,-0.2 -2,-0.2 0.918 124.6 27.9 -67.9 -40.0 8.4 55.2 50.9 471 525 A F H X5S+ 0 0 1 -4,-2.7 4,-1.1 4,-0.2 -3,-0.2 0.958 129.5 31.0 -87.6 -60.2 11.2 57.6 50.2 472 526 A Q T <5S+ 0 0 0 -4,-1.5 159,-2.6 -5,-0.4 160,-1.2 0.778 131.6 31.0 -77.9 -29.6 10.9 59.0 46.7 473 527 A R T 4 0 0 129 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -90.4 32.3 48.4 41.6 489 545 A K T 3 + 0 0 83 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.624 360.0 35.0 -56.4 -42.9 29.1 49.5 43.3 490 546 A F T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -337,-0.1 -338,-0.2 0.402 98.0 77.9 -97.2 -0.6 26.2 49.0 41.0 491 547 A S S < S- 0 0 9 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.1 0.810 93.1-123.2 -84.2 -23.6 27.2 45.9 39.1 492 548 A G - 0 0 16 -4,-0.5 -1,-0.1 -3,-0.3 -339,-0.1 -0.093 34.9 -68.6 95.4 154.2 26.3 43.3 41.8 493 549 A Y > - 0 0 8 -2,-0.1 3,-1.9 1,-0.1 -89,-0.1 -0.292 64.6 -90.4 -69.2 167.2 28.6 40.7 43.4 494 550 A P T 3 S+ 0 0 14 0, 0.0 -301,-0.1 0, 0.0 -1,-0.1 0.839 124.3 40.5 -58.4 -37.4 29.7 38.0 41.0 495 551 A L T > S+ 0 0 0 -303,-0.3 3,-2.1 5,-0.1 6,-0.3 0.245 81.7 150.1 -96.2 14.4 26.9 35.4 41.6 496 552 A Y T < S- 0 0 32 -3,-1.9 3,-0.1 1,-0.3 -295,-0.1 -0.201 75.3 -6.9 -48.5 123.7 24.2 38.1 41.8 497 553 A H T 3 S+ 0 0 5 1,-0.2 -296,-2.0 -297,-0.2 -1,-0.3 0.655 106.7 123.9 60.9 22.4 20.8 36.7 40.5 498 554 A S S X S- 0 0 3 -3,-2.1 3,-1.6 -298,-0.2 -168,-0.2 -0.661 79.0-110.3-104.5 164.2 22.4 33.4 39.4 499 555 A V T 3 S+ 0 0 1 -300,-0.3 -170,-0.2 1,-0.2 -1,-0.1 0.702 113.6 71.3 -63.1 -16.7 21.4 29.8 40.5 500 556 A Y T 3 + 0 0 14 -5,-0.1 2,-1.4 1,-0.1 -1,-0.2 0.516 65.8 102.7 -82.8 -5.7 24.8 29.7 42.3 501 557 A E < + 0 0 4 -3,-1.6 -170,-2.1 -6,-0.3 2,-0.2 -0.646 58.9 144.7 -78.3 91.2 23.6 32.2 45.0 502 558 A T > - 0 0 0 -2,-1.4 4,-1.4 -172,-0.2 3,-0.2 -0.753 69.4 -98.4-126.2 169.7 23.1 29.5 47.7 503 559 A Y H > S+ 0 0 24 -479,-0.4 4,-2.9 -2,-0.2 5,-0.3 0.907 123.4 55.7 -52.6 -40.0 23.3 28.9 51.4 504 560 A E H > S+ 0 0 44 1,-0.3 4,-2.6 2,-0.2 5,-0.5 0.868 99.4 59.6 -68.2 -34.3 26.7 27.3 50.7 505 561 A L H >>S+ 0 0 0 -3,-0.2 4,-1.9 -5,-0.2 5,-0.7 0.927 113.4 38.0 -54.6 -47.4 27.9 30.4 49.0 506 562 A V H X>S+ 0 0 0 -4,-1.4 5,-2.9 -3,-0.2 4,-1.3 0.957 118.1 45.8 -70.5 -53.4 27.3 32.3 52.2 507 563 A E H <5S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.846 123.2 35.6 -61.0 -35.1 28.4 29.8 54.8 508 564 A K H <5S+ 0 0 114 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.894 133.3 13.8 -86.1 -41.6 31.6 28.9 52.9 509 565 A F H <5S+ 0 0 56 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.1 0.648 126.4 35.5-119.3 -20.7 32.9 32.1 51.3 510 566 A Y T < < + 0 0 1 -5,-2.9 3,-1.5 -6,-0.1 6,-0.1 -0.490 56.4 169.1-152.9 63.6 30.4 34.8 56.4 512 568 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.861 87.6 40.3 -55.1 -33.8 31.1 31.4 57.9 513 569 A M T 3 S- 0 0 146 -496,-0.0 -496,-0.1 1,-0.0 -6,-0.1 0.515 103.2-129.7 -92.2 -3.5 30.7 32.6 61.5 514 570 A F <> + 0 0 1 -3,-1.5 4,-2.1 -8,-0.2 -498,-0.1 0.726 69.5 130.0 60.2 23.2 27.6 34.8 60.6 515 571 A K H > + 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.811 68.9 50.0 -78.5 -30.5 29.3 37.7 62.4 516 572 A Y H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 111.8 49.4 -72.9 -41.8 28.8 40.1 59.6 517 573 A H H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.912 111.3 50.1 -55.3 -47.3 25.1 39.1 59.5 518 574 A L H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 109.4 50.5 -59.6 -41.5 24.9 39.6 63.2 519 575 A T H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 111.5 48.8 -63.7 -44.7 26.6 43.1 62.8 520 576 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.892 108.3 53.3 -61.6 -38.8 24.0 44.0 60.2 521 577 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.897 109.3 50.1 -62.7 -39.7 21.2 42.8 62.4 522 578 A Q H X S+ 0 0 31 -4,-2.4 4,-1.8 3,-0.2 -2,-0.2 0.878 113.0 45.2 -62.9 -38.6 22.5 45.1 65.1 523 579 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.970 120.4 38.1 -72.1 -52.8 22.7 48.1 62.8 524 580 A R H X S+ 0 0 4 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.935 122.9 42.5 -64.4 -46.0 19.2 47.6 61.2 525 581 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.4 -1,-0.2 0.900 113.3 53.4 -67.8 -38.9 17.6 46.5 64.5 526 582 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.4 5,-0.2 0.884 108.6 49.7 -60.8 -43.8 19.4 49.2 66.5 527 583 A M H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.951 112.1 47.3 -61.2 -48.4 18.1 51.9 64.1 528 584 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.928 111.2 52.9 -59.0 -45.2 14.5 50.6 64.4 529 585 A F H X S+ 0 0 5 -4,-3.0 4,-1.3 2,-0.2 5,-0.2 0.936 112.4 42.4 -57.8 -50.6 14.8 50.4 68.1 530 586 A E H >X S+ 0 0 56 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.944 115.9 49.8 -64.9 -43.5 16.0 54.1 68.5 531 587 A L H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 117.5 40.0 -62.1 -36.7 13.4 55.3 65.9 532 588 A A H 3< S+ 0 0 0 -4,-2.7 -172,-2.7 -5,-0.2 -173,-0.5 0.618 127.9 30.7 -87.1 -15.3 10.6 53.5 67.7 533 589 A N H << S+ 0 0 49 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.2 0.727 82.9 105.1-119.9 -24.4 11.7 54.2 71.3 534 590 A S < - 0 0 32 -4,-2.6 3,-0.0 -5,-0.2 -4,-0.0 -0.251 63.6-138.5 -62.7 137.4 13.5 57.5 71.6 535 591 A I S S+ 0 0 100 1,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.957 97.2 41.1 -66.2 -47.9 11.4 60.2 73.2 536 592 A V S S- 0 0 40 1,-0.1 -1,-0.1 71,-0.0 -3,-0.1 -0.860 109.4-103.6 -92.5 130.1 12.6 62.8 70.7 537 593 A L - 0 0 6 -2,-0.5 2,-2.0 1,-0.1 -6,-0.1 -0.262 31.9-121.1 -52.5 135.0 12.8 61.4 67.2 538 594 A P S S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 -119,-0.4 -0.248 70.6 122.2 -85.1 56.3 16.5 60.7 66.5 539 595 A F - 0 0 10 -2,-2.0 2,-0.6 -121,-0.1 -123,-0.2 -0.934 48.0-154.9-111.4 142.0 16.7 63.0 63.4 540 596 A D >> - 0 0 27 -125,-1.1 3,-1.4 -2,-0.4 4,-0.8 -0.884 4.5-168.7-118.6 100.5 19.0 65.9 63.0 541 597 A C H 3> S+ 0 0 2 -2,-0.6 4,-1.6 1,-0.2 3,-0.5 0.800 82.5 70.0 -57.8 -25.6 17.8 68.6 60.6 542 598 A R H 3> S+ 0 0 108 1,-0.2 4,-1.8 45,-0.2 -1,-0.2 0.845 91.6 59.8 -62.7 -27.6 21.1 70.4 60.6 543 599 A D H <> S+ 0 0 35 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.877 102.0 53.5 -67.1 -34.3 22.7 67.4 58.7 544 600 A Y H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.5 5,-0.2 0.928 105.6 54.9 -64.8 -40.4 20.2 68.1 55.9 545 601 A A H X S+ 0 0 2 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.920 106.8 49.1 -58.0 -42.5 21.3 71.7 55.8 546 602 A V H X S+ 0 0 81 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.945 113.9 45.6 -61.9 -45.0 25.0 70.7 55.3 547 603 A V H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.891 106.1 59.1 -71.1 -36.1 24.1 68.3 52.5 548 604 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.907 106.0 50.2 -58.3 -38.1 21.8 70.8 50.7 549 605 A R H X S+ 0 0 133 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.929 108.8 50.3 -67.2 -42.5 24.6 73.2 50.4 550 606 A K H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.927 113.4 46.7 -58.3 -45.7 26.9 70.6 48.9 551 607 A Y H X S+ 0 0 26 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.884 110.8 51.9 -66.6 -37.6 24.2 69.7 46.4 552 608 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.952 110.7 47.9 -63.1 -47.7 23.6 73.3 45.6 553 609 A D H X S+ 0 0 66 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.908 112.7 50.6 -52.6 -42.4 27.3 73.8 44.9 554 610 A K H X S+ 0 0 91 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.941 112.2 43.2 -67.9 -47.1 27.4 70.7 42.8 555 611 A I H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.909 113.2 53.3 -69.5 -37.4 24.5 71.7 40.6 556 612 A Y H X S+ 0 0 90 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.946 107.6 52.2 -55.5 -47.8 25.7 75.2 40.3 557 613 A S H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 107.3 52.2 -58.8 -36.8 29.1 73.9 39.1 558 614 A I H >< S+ 0 0 50 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.918 110.6 46.8 -64.8 -41.7 27.4 71.8 36.5 559 615 A S H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.901 101.0 67.3 -68.2 -35.2 25.6 74.8 35.1 560 616 A M T 3< S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.454 77.9 79.5 -70.9 -0.3 28.7 76.9 35.1 561 617 A K T < S+ 0 0 156 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.579 97.1 50.6 -71.1 -9.2 30.2 74.7 32.4 562 618 A H <> + 0 0 29 -3,-2.4 4,-2.2 1,-0.1 -1,-0.2 -0.465 66.1 153.9-127.9 56.2 27.9 77.0 30.2 563 619 A P H > S+ 0 0 54 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.858 72.6 54.1 -60.2 -38.0 28.8 80.5 31.2 564 620 A Q H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 110.9 46.0 -63.2 -43.7 27.7 82.1 28.0 565 621 A E H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 6,-0.2 0.887 108.8 55.2 -66.9 -34.8 24.3 80.6 28.2 566 622 A M H <>S+ 0 0 19 -4,-2.2 5,-2.2 -7,-0.2 4,-0.5 0.896 111.8 45.3 -66.4 -34.4 23.9 81.5 31.8 567 623 A K H ><5S+ 0 0 140 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.960 114.3 47.5 -65.1 -49.7 24.6 85.2 30.7 568 624 A T H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.888 122.3 33.7 -61.8 -42.5 22.2 85.1 27.7 569 625 A Y T 3<5S- 0 0 77 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.363 105.1-122.6-100.9 5.4 19.3 83.5 29.5 570 626 A S T < 5 - 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0 0 136 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.371 47.5-130.2 -53.6 139.6 7.8 78.3 65.2 692 749 A V 0 0 92 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.649 360.0 360.0 -76.8 -21.4 4.3 77.0 64.3 693 750 A A 0 0 146 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.197 360.0 360.0-172.9 360.0 2.4 80.2 65.4