==== 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 28-NOV-08 3FED . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,C.BARINKA,K.HLOUCHOVA . 691 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.4 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 0 3 3 2 1 1 0 0 0 0 0 3 0 3 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 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 . 5 2 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 0 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 46 A S > 0 0 97 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.4 21.7 79.3 13.4 2 47 A I H > + 0 0 56 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 360.0 56.0 -63.7 -39.2 19.0 77.4 15.2 3 48 A R H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 106.4 49.5 -61.9 -41.0 20.8 74.1 14.2 4 49 A W H > S+ 0 0 163 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 109.5 51.7 -65.3 -38.4 23.9 75.4 15.9 5 50 A K H X S+ 0 0 115 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.909 110.7 49.0 -60.5 -41.2 21.9 76.2 19.1 6 51 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.944 117.0 40.7 -61.9 -49.6 20.4 72.7 19.1 7 52 A V H >< S+ 0 0 10 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.922 115.6 48.5 -67.8 -44.0 23.8 71.0 18.7 8 53 A S H 3< S+ 0 0 36 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 102.7 62.3 -76.8 -18.4 25.8 73.3 21.1 9 54 A E H 3< S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.773 83.9 94.8 -74.0 -26.7 23.2 73.0 23.9 10 55 A M << - 0 0 2 -3,-0.8 2,-0.4 -4,-0.7 3,-0.1 -0.442 63.6-160.2 -66.3 139.4 23.8 69.2 24.1 11 56 A K >> - 0 0 94 1,-0.1 4,-1.8 -2,-0.1 3,-0.5 -0.978 27.2-141.0-130.2 138.3 26.3 68.3 26.8 12 57 A A H 3> S+ 0 0 18 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.876 105.6 56.8 -54.2 -43.5 28.5 65.2 27.4 13 58 A E H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 105.2 51.4 -64.9 -31.4 27.9 65.5 31.2 14 59 A N H <> S+ 0 0 54 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.893 108.4 49.9 -71.0 -40.4 24.1 65.4 30.7 15 60 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.930 111.9 50.5 -59.3 -40.9 24.3 62.2 28.5 16 61 A K H X S+ 0 0 55 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.935 110.5 48.1 -65.4 -42.8 26.5 60.7 31.3 17 62 A S H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.914 112.8 47.9 -65.4 -43.1 24.0 61.6 34.0 18 63 A F H X S+ 0 0 24 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.952 111.6 50.9 -59.7 -46.9 21.1 60.2 32.0 19 64 A L H >X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 3,-0.7 0.928 110.3 48.3 -60.8 -44.0 23.0 57.0 31.3 20 65 A R H >< S+ 0 0 60 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.918 110.6 52.6 -62.1 -39.3 23.9 56.5 35.0 21 66 A S H 3< S+ 0 0 42 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.723 113.0 43.2 -69.9 -19.6 20.2 57.1 36.0 22 67 A F H << S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.474 108.3 57.5-103.6 -2.5 18.9 54.5 33.6 23 68 A T S << S+ 0 0 0 -3,-0.8 479,-0.3 -4,-0.8 -1,-0.2 0.151 71.4 96.6-119.4 15.3 21.4 51.7 34.2 24 69 A K S S+ 0 0 121 -3,-0.2 -1,-0.1 -4,-0.2 -2,-0.1 0.795 92.5 23.8 -76.2 -24.7 21.1 51.0 37.9 25 70 A L S S- 0 0 69 -3,-0.2 -1,-0.1 301,-0.1 300,-0.1 -0.930 94.4 -88.5-136.5 155.5 18.7 48.1 37.6 26 71 A P - 0 0 4 0, 0.0 300,-0.2 0, 0.0 7,-0.1 -0.354 32.4-165.0 -61.5 148.9 17.8 45.6 34.8 27 72 A H + 0 0 0 298,-1.9 296,-2.0 6,-0.1 2,-0.1 -0.414 15.8 171.8-140.0 62.3 15.1 46.8 32.5 28 73 A L > - 0 0 14 294,-0.2 3,-1.8 296,-0.2 6,-0.5 -0.400 44.7 -91.7 -67.6 140.3 13.8 43.7 30.6 29 74 A A T 3 S+ 0 0 0 294,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.251 110.8 21.9 -55.8 140.5 10.8 44.1 28.5 30 75 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.409 99.3 115.5 83.9 1.3 7.5 43.3 30.2 31 76 A T S <> S- 0 0 38 -3,-1.8 4,-1.4 1,-0.1 3,-0.4 -0.625 77.8-112.3-102.2 159.3 9.0 43.9 33.7 32 77 A E H > S+ 0 0 120 1,-0.2 4,-2.6 -2,-0.2 3,-0.4 0.908 113.4 57.0 -57.9 -40.0 8.0 46.5 36.3 33 78 A Q H > S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.867 104.6 50.8 -64.9 -35.0 11.4 48.3 36.0 34 79 A N H > S+ 0 0 0 -6,-0.5 4,-1.5 -3,-0.4 -1,-0.3 0.795 110.3 50.8 -75.1 -23.0 11.1 48.9 32.3 35 80 A F H X S+ 0 0 39 -4,-1.4 4,-2.4 -3,-0.4 -2,-0.2 0.902 109.2 51.0 -69.8 -44.5 7.6 50.3 32.9 36 81 A L H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.906 108.1 52.3 -60.4 -35.4 9.0 52.6 35.6 37 82 A L H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.910 107.1 53.5 -69.2 -34.8 11.7 53.7 33.1 38 83 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.928 109.1 47.5 -60.5 -46.5 8.9 54.5 30.6 39 84 A K H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.874 110.8 52.5 -65.7 -35.1 7.1 56.7 33.1 40 85 A K H X S+ 0 0 90 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.941 110.0 47.4 -61.4 -49.4 10.4 58.5 34.0 41 86 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.920 112.4 51.4 -57.4 -43.2 11.1 59.2 30.3 42 87 A Q H X S+ 0 0 36 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.916 109.0 49.2 -59.6 -48.1 7.5 60.5 30.0 43 88 A T H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.920 111.9 50.3 -58.0 -43.7 7.9 62.8 33.0 44 89 A Q H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 107.7 51.8 -63.2 -43.9 11.1 64.1 31.5 45 90 A W H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.8 0.898 109.5 50.5 -61.4 -37.1 9.6 64.8 28.1 46 91 A K H ><5S+ 0 0 127 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.932 110.6 49.2 -64.8 -42.2 6.8 66.8 29.7 47 92 A K H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.872 105.7 57.6 -61.4 -39.4 9.4 68.8 31.7 48 93 A F H 3<5S- 0 0 24 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.717 122.0-108.5 -64.0 -23.5 11.3 69.5 28.5 49 94 A G T <<5 + 0 0 37 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.595 57.2 163.2 104.9 18.7 8.1 71.1 27.1 50 95 A L < - 0 0 15 -5,-2.2 -1,-0.2 1,-0.1 255,-0.2 -0.333 45.8-123.7 -60.5 153.8 7.0 68.5 24.5 51 96 A D S S+ 0 0 78 253,-1.9 2,-0.3 1,-0.2 254,-0.2 0.810 88.7 3.1 -69.9 -29.3 3.4 69.0 23.4 52 97 A S E -A 304 0A 38 252,-1.1 252,-1.4 -7,-0.1 2,-0.2 -0.981 51.9-178.5-151.7 157.4 2.5 65.4 24.4 53 98 A A E +A 303 0A 3 -2,-0.3 2,-0.3 250,-0.2 250,-0.3 -0.747 23.7 168.2-160.5 102.2 4.1 62.4 26.0 54 99 A K E -A 302 0A 139 248,-2.8 248,-2.8 -2,-0.2 2,-0.5 -0.890 35.6-123.4-123.0 148.2 1.8 59.3 26.2 55 100 A L E -A 301 0A 45 -2,-0.3 2,-0.5 246,-0.2 246,-0.2 -0.820 26.0-167.4 -86.0 133.0 2.2 55.7 27.0 56 101 A V E -A 300 0A 32 244,-2.8 244,-3.2 -2,-0.5 2,-0.3 -0.987 11.9-162.0-123.8 117.8 0.9 53.5 24.2 57 102 A H E -A 299 0A 62 -2,-0.5 2,-0.3 242,-0.2 242,-0.2 -0.709 15.8-179.1-108.2 156.5 0.6 49.8 25.2 58 103 A Y E -A 298 0A 0 240,-1.7 240,-2.7 -2,-0.3 2,-0.6 -0.957 26.4-130.5-140.1 159.3 0.2 46.5 23.3 59 104 A D E +A 297 0A 23 158,-2.2 2,-0.3 -2,-0.3 238,-0.2 -0.941 42.8 165.7-115.1 106.1 -0.2 42.9 24.6 60 105 A V E -A 296 0A 0 236,-2.4 236,-2.9 -2,-0.6 2,-0.5 -0.788 43.6 -91.4-125.4 159.5 2.4 40.8 22.8 61 106 A L E +A 295 0A 5 -2,-0.3 234,-0.2 234,-0.2 2,-0.2 -0.637 49.2 173.0 -73.9 120.4 4.0 37.3 23.1 62 107 A L E -A 294 0A 0 232,-2.5 232,-2.3 -2,-0.5 2,-0.3 -0.672 19.4-140.5-115.2 177.3 7.1 37.4 25.2 63 108 A S E +A 293 0A 0 230,-0.3 230,-0.2 -2,-0.2 43,-0.1 -0.998 21.6 167.8-145.6 134.2 9.3 34.6 26.5 64 109 A Y E -A 292 0A 46 228,-2.3 228,-3.2 -2,-0.3 41,-0.0 -0.976 39.1 -94.7-143.8 155.6 11.1 34.1 29.8 65 110 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 226,-0.2 -0.320 41.6-111.9 -65.9 155.6 12.8 31.2 31.7 66 111 A N > - 0 0 45 3,-0.5 3,-1.5 1,-0.2 224,-0.1 -0.799 20.4-150.4 -86.9 117.4 10.8 29.2 34.1 67 112 A E T 3 S+ 0 0 191 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.829 95.9 43.7 -60.6 -29.4 12.2 30.0 37.6 68 113 A T T 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.331 116.4 44.9-104.1 12.2 11.2 26.6 38.9 69 114 A N S < S- 0 0 57 -3,-1.5 -3,-0.5 221,-0.1 221,-0.3 -0.570 84.8-159.6-146.1 77.2 12.4 24.5 35.9 70 115 A A - 0 0 68 -3,-0.3 2,-0.2 -2,-0.1 -3,-0.1 -0.268 14.8-117.6 -67.9 147.5 15.8 25.9 35.1 71 116 A N + 0 0 25 32,-0.1 2,-0.3 -5,-0.1 218,-0.2 -0.524 43.4 150.8 -78.7 148.8 17.5 25.4 31.7 72 117 A Y E -I 288 0B 50 216,-2.1 216,-2.3 -2,-0.2 2,-0.4 -0.982 37.8-131.1-165.0 167.5 20.7 23.5 31.2 73 118 A I E -I 287 0B 0 -2,-0.3 13,-2.9 214,-0.2 2,-0.3 -0.968 31.3-176.0-118.8 144.4 22.8 21.3 28.9 74 119 A S E -IJ 286 85B 0 212,-2.4 212,-2.8 -2,-0.4 2,-0.4 -0.918 24.7-136.9-136.3 164.9 24.4 18.1 30.2 75 120 A I E -IJ 285 84B 0 9,-2.4 8,-3.0 -2,-0.3 9,-1.4 -0.988 26.6-168.5-116.6 131.0 26.6 15.3 29.2 76 121 A V E -IJ 284 82B 2 208,-2.6 208,-2.3 -2,-0.4 207,-2.0 -0.867 13.7-132.9-119.1 155.1 25.5 11.8 30.2 77 122 A D > - 0 0 20 4,-2.0 3,-1.6 -2,-0.3 205,-0.1 -0.269 43.9 -86.8 -90.7-174.6 27.4 8.5 30.1 78 123 A E T 3 S+ 0 0 108 1,-0.3 204,-0.0 2,-0.1 -1,-0.0 0.606 128.1 58.4 -75.4 -6.7 26.0 5.3 28.7 79 124 A H T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.158 119.4-108.2-101.7 12.7 24.4 4.5 32.0 80 125 A E S < S+ 0 0 130 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.574 70.5 147.1 69.4 13.9 22.4 7.7 32.0 81 126 A T - 0 0 75 1,-0.1 -4,-2.0 200,-0.1 2,-0.5 -0.656 52.4-121.4 -82.7 131.6 24.5 9.3 34.7 82 127 A E E +J 76 0B 87 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.630 34.2 173.0 -70.8 120.6 25.0 13.1 34.4 83 128 A I E + 0 0 66 -8,-3.0 2,-0.3 -2,-0.5 -7,-0.2 0.713 65.8 12.8-100.4 -29.0 28.7 13.7 34.1 84 129 A F E -J 75 0B 32 -9,-1.4 -9,-2.4 2,-0.0 -1,-0.4 -0.987 58.4-169.2-149.8 147.0 28.6 17.4 33.4 85 130 A K E -J 74 0B 105 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.999 24.2-125.1-138.0 134.6 26.1 20.2 33.6 86 131 A T 0 0 9 -13,-2.9 -13,-0.1 -2,-0.3 154,-0.0 -0.438 360.0 360.0 -76.0 155.0 26.4 23.8 32.2 87 132 A S 0 0 146 -2,-0.1 154,-0.3 -15,-0.1 157,-0.1 -0.890 360.0 360.0-155.4 360.0 25.7 26.6 34.7 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 136 A P 0 0 146 0, 0.0 3,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 160.5 26.7 36.8 40.8 90 137 A P - 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0 0 0 42,-0.8 2,-0.3 9,-0.1 -294,-0.2 -0.494 50.0-177.7 -75.6 146.3 14.3 47.6 26.9 323 370 A S - 0 0 0 -296,-2.0 -294,-0.4 2,-0.2 43,-0.1 -0.809 37.6-120.7-130.2 172.2 17.5 45.6 27.6 324 371 A W S S- 0 0 5 6,-0.4 -223,-0.4 -2,-0.3 -296,-0.2 0.916 97.8 -23.0 -79.6 -43.2 18.5 42.1 28.5 325 372 A V S S- 0 0 3 172,-0.2 -298,-1.9 -298,-0.1 -2,-0.2 0.119 126.0 -27.0-130.2-113.0 20.1 43.1 31.8 326 373 A F S S- 0 0 0 171,-0.3 -301,-0.1 -300,-0.2 6,-0.1 0.759 70.7-161.3 -79.4 -29.6 21.5 46.7 32.5 327 374 A G > + 0 0 3 170,-0.4 5,-2.3 1,-0.1 6,-0.4 0.816 21.8 167.4 55.0 44.9 22.1 47.4 28.8 328 375 A A T 5S+ 0 0 0 172,-2.1 5,-0.2 4,-0.2 173,-0.1 0.846 83.4 22.1 -64.5 -30.8 24.4 50.3 29.3 329 376 A I T >>S+ 0 0 0 1,-0.3 4,-1.2 3,-0.2 5,-0.7 0.873 115.8 71.5 -88.4 -59.4 25.5 50.2 25.6 330 377 A D T 45S- 0 0 1 1,-0.3 -6,-0.4 2,-0.2 -1,-0.3 -0.828 128.2 -30.0-105.5 107.3 22.4 48.4 24.1 331 378 A P T >>5S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.946 126.7 74.8-107.0 4.6 20.2 50.4 24.2 332 379 A T H 3><>S+ 0 0 14 -4,-2.0 5,-1.8 1,-0.2 3,-1.2 0.933 109.5 50.1 -58.3 -45.9 14.7 75.8 21.6 349 396 A M H ><5S+ 0 0 25 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.868 100.4 64.3 -61.6 -34.7 11.0 75.9 22.3 350 397 A S H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.713 103.0 49.5 -62.9 -21.0 11.6 77.8 25.5 351 398 A K T <<5S- 0 0 183 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.195 131.9 -91.4-101.0 10.0 12.9 80.7 23.4 352 399 A G T < 5S+ 0 0 62 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.356 77.7 140.5 103.3 -1.4 9.9 80.6 21.0 353 400 A W < + 0 0 29 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.437 22.9 179.3 -73.9 146.6 10.9 78.2 18.2 354 401 A R - 0 0 90 -2,-0.1 -47,-0.1 178,-0.0 2,-0.1 -0.986 29.9-112.7-138.3 145.1 8.5 75.7 16.7 355 402 A P - 0 0 0 0, 0.0 -47,-2.9 0, 0.0 -46,-0.3 -0.365 15.8-128.1 -73.0 159.1 9.4 73.3 13.9 356 403 A R S S+ 0 0 40 -49,-0.2 -46,-2.9 175,-0.2 -47,-2.1 0.935 95.7 27.3 -65.8 -52.8 7.9 73.6 10.4 357 404 A R E S- c 0 310A 0 174,-2.4 2,-0.4 -48,-0.2 -49,-0.2 -0.458 102.0 -84.6-101.7 177.0 6.8 69.9 10.4 358 405 A T E - c 0 314A 8 -45,-2.8 -43,-2.3 -48,-0.7 2,-0.5 -0.715 31.0-147.4 -90.3 132.3 5.9 67.6 13.4 359 406 A I E -Bc 305 315A 0 -54,-2.4 -54,-2.1 -2,-0.4 2,-0.5 -0.882 8.8-161.3 -93.0 130.4 8.5 65.7 15.4 360 407 A I E -Bc 304 316A 11 -45,-2.8 -43,-3.0 -2,-0.5 2,-0.4 -0.974 4.8-163.3-108.2 122.1 7.5 62.4 16.8 361 408 A F E -Bc 303 317A 0 -58,-2.5 -58,-2.9 -2,-0.5 2,-0.4 -0.890 11.1-174.0-100.5 135.5 9.7 61.1 19.7 362 409 A A E -Bc 302 318A 0 -45,-2.4 -43,-2.3 -2,-0.4 2,-0.6 -0.993 23.9-167.0-138.9 132.3 9.4 57.4 20.6 363 410 A S E -Bc 301 319A 3 -62,-2.7 -62,-2.3 -2,-0.4 -43,-0.2 -0.957 31.0-151.6-109.6 108.6 10.8 55.2 23.3 364 411 A W E - c 0 320A 0 -45,-2.2 -43,-2.6 -2,-0.6 -42,-0.8 -0.525 5.6-149.1 -89.2 147.0 10.1 51.7 22.1 365 412 A D S S+ 0 0 2 -2,-0.2 8,-1.8 -45,-0.2 9,-0.4 -0.696 70.7 19.1-106.0 162.7 9.6 48.6 24.2 366 413 A A > + 0 0 0 -2,-0.2 6,-1.9 6,-0.2 3,-0.9 0.703 68.5 140.8 54.1 33.2 10.3 44.9 23.5 367 414 A E G >> + 0 0 0 4,-0.3 4,-2.3 -3,-0.3 3,-2.0 0.897 69.1 59.8 -65.2 -35.4 12.8 45.6 20.7 368 415 A E G 34 S+ 0 0 0 1,-0.3 -168,-0.8 2,-0.2 -1,-0.2 0.688 99.7 57.5 -72.5 -9.9 15.0 42.7 22.1 369 416 A F G <4 S- 0 0 0 -3,-0.9 -1,-0.3 -170,-0.1 -2,-0.2 0.204 142.1 -56.1-102.1 13.0 12.1 40.3 21.5 370 417 A G T <4 S- 0 0 2 -3,-2.0 -162,-0.3 -161,-0.1 -2,-0.2 0.683 85.1 -68.1 121.2 34.0 11.8 41.1 17.7 371 418 A L S X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -4,-0.3 0.873 83.8 156.6 65.7 33.0 11.3 44.9 17.2 372 419 A L H > + 0 0 0 -6,-1.9 4,-2.8 1,-0.2 -163,-0.3 0.942 59.3 42.7 -71.6 -48.5 7.9 44.4 18.8 373 420 A G H > S+ 0 0 0 -8,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.911 118.0 45.2 -65.6 -42.1 6.9 47.8 20.2 374 421 A S H > S+ 0 0 0 -9,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.886 115.9 47.1 -69.5 -34.1 8.1 49.8 17.2 375 422 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 110.0 50.9 -75.9 -40.0 6.5 47.4 14.8 376 423 A E H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.900 111.5 49.5 -62.7 -37.3 3.1 47.2 16.6 377 424 A W H X S+ 0 0 19 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.903 110.4 50.2 -68.8 -37.4 3.0 51.0 16.6 378 425 A A H X S+ 0 0 2 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.912 110.9 49.9 -62.8 -40.2 3.8 51.1 12.9 379 426 A E H < S+ 0 0 11 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.875 112.6 47.2 -68.2 -33.5 1.0 48.6 12.3 380 427 A E H < S+ 0 0 63 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.895 123.6 31.8 -69.2 -39.6 -1.4 50.7 14.4 381 428 A N H >X S+ 0 0 39 -4,-2.3 4,-2.8 1,-0.2 3,-0.7 0.261 79.7 121.2-107.8 13.4 -0.5 54.0 12.6 382 429 A V H 3X S+ 0 0 31 -4,-0.9 4,-2.8 -3,-0.3 5,-0.3 0.790 70.8 56.4 -50.1 -41.1 0.3 52.7 9.2 383 430 A K H 3> S+ 0 0 151 -3,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.919 116.1 34.2 -68.7 -39.6 -2.3 54.8 7.4 384 431 A I H <> S+ 0 0 59 -3,-0.7 4,-1.2 2,-0.2 3,-0.2 0.900 118.7 53.8 -76.9 -34.1 -1.1 58.2 8.7 385 432 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.5 0.929 107.8 48.0 -67.5 -43.0 2.6 57.1 8.7 386 433 A Q H < S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 117.7 41.3 -74.7 -20.1 2.8 56.0 5.1 387 434 A E H < S+ 0 0 107 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.619 127.7 26.2 -96.9 -9.5 1.1 59.2 3.8 388 435 A R H < S+ 0 0 84 -4,-1.2 -74,-2.2 -3,-0.5 2,-0.4 0.513 85.0 110.9-133.1 -11.7 2.8 61.8 6.0 389 436 A S E < -d 314 0A 0 -4,-2.1 85,-0.2 -76,-0.2 -74,-0.2 -0.587 32.8-178.2 -86.0 133.1 6.3 60.6 7.2 390 437 A I E - 0 0 1 -76,-3.4 84,-0.5 -2,-0.4 2,-0.3 0.903 66.2 -25.5 -82.8 -47.5 9.4 62.3 5.9 391 438 A A E -d 315 0A 0 -77,-1.0 -75,-2.6 82,-0.1 2,-0.4 -0.991 45.5-131.4-164.1 160.8 12.0 60.1 7.7 392 439 A Y E -de 316 475A 0 82,-2.3 84,-1.9 -2,-0.3 2,-0.5 -0.996 18.0-168.1-122.6 125.5 12.8 57.9 10.7 393 440 A I E -de 317 476A 1 -77,-3.2 -75,-2.1 -2,-0.4 84,-0.2 -0.965 17.4-140.7-114.3 123.7 16.0 58.4 12.6 394 441 A N E -d 318 0A 1 82,-2.4 84,-0.3 -2,-0.5 -75,-0.2 -0.442 14.5-167.5 -81.3 159.9 16.9 55.6 15.0 395 442 A S + 0 0 0 -77,-1.9 -57,-0.2 -2,-0.1 3,-0.1 -0.281 38.9 128.1-143.3 56.6 18.4 56.1 18.5 396 443 A D S S- 0 0 1 1,-0.3 -59,-0.1 -77,-0.2 82,-0.1 0.019 72.2 -10.1 -83.9-158.7 19.6 52.7 19.7 397 444 A S - 0 0 1 1,-0.1 -1,-0.3 -64,-0.1 3,-0.2 0.008 55.1-170.8 -42.5 132.7 23.2 52.1 21.0 398 445 A S S S+ 0 0 0 -69,-0.4 82,-2.7 1,-0.2 -1,-0.1 0.618 73.6 41.0 -97.8 -14.9 25.4 55.1 20.5 399 446 A I B +f 480 0A 0 80,-0.2 -1,-0.2 -70,-0.2 82,-0.2 -0.527 48.4 145.7-146.4 74.5 28.8 53.6 21.5 400 447 A E S S- 0 0 10 80,-1.9 2,-0.3 -3,-0.2 81,-0.2 0.462 84.5 -8.2 -91.1 -3.7 29.7 50.1 20.4 401 448 A G - 0 0 7 79,-0.3 81,-0.2 80,-0.2 79,-0.1 -0.939 65.8-120.9-172.3-179.0 33.4 51.0 20.0 402 449 A N S S+ 0 0 79 -2,-0.3 80,-0.2 78,-0.1 3,-0.1 0.132 81.8 87.6-130.4 27.4 35.5 54.1 20.1 403 450 A Y S S- 0 0 49 78,-2.1 2,-0.3 1,-0.3 79,-0.2 0.937 93.3 -38.6 -94.2 -57.2 37.2 54.3 16.7 404 451 A T E -G 481 0A 2 77,-1.7 77,-3.0 78,-0.1 -1,-0.3 -0.948 66.1 -68.3-159.3-179.0 34.9 56.1 14.4 405 452 A L E -G 480 0A 0 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.471 32.8-161.6 -76.3 150.0 31.4 56.7 13.2 406 453 A R E -G 479 0A 77 73,-2.7 73,-2.1 -2,-0.1 2,-0.4 -0.999 10.4-174.2-127.6 129.7 29.3 54.1 11.4 407 454 A V E -Gh 478 455A 3 47,-0.5 49,-2.5 -2,-0.4 2,-0.4 -0.987 9.9-177.0-125.2 138.2 26.2 55.3 9.3 408 455 A D E +Gh 477 456A 8 69,-2.3 69,-2.3 -2,-0.4 2,-0.3 -1.000 28.9 130.5-128.6 125.6 23.6 53.2 7.6 409 456 A C E -G 476 0A 3 47,-1.7 67,-0.2 -2,-0.4 49,-0.1 -0.991 57.0 -77.9-165.0 166.2 20.9 55.0 5.6 410 457 A T > - 0 0 1 65,-1.9 3,-2.3 -2,-0.3 4,-0.4 -0.369 47.3-112.1 -64.5 147.7 18.9 55.3 2.4 411 458 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.791 113.5 73.3 -52.3 -27.4 20.7 57.0 -0.5 412 459 A L G 3 S+ 0 0 0 1,-0.2 127,-1.5 2,-0.1 4,-0.3 0.779 100.9 43.1 -54.6 -28.9 18.2 59.9 -0.1 413 460 A L G <> S+ 0 0 1 -3,-2.3 4,-2.5 125,-0.2 -1,-0.2 0.426 83.2 97.3-100.6 -2.9 20.0 60.9 3.1 414 461 A Y H <> S+ 0 0 41 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.925 86.1 47.1 -54.0 -50.3 23.7 60.6 2.1 415 462 A Q H > S+ 0 0 96 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.914 112.0 49.4 -63.1 -38.9 24.1 64.3 1.3 416 463 A L H > S+ 0 0 5 121,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.917 110.3 51.5 -65.1 -43.3 22.5 65.5 4.5 417 464 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.940 111.9 45.8 -58.8 -47.8 24.7 63.1 6.6 418 465 A Y H X S+ 0 0 26 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.930 112.6 51.4 -63.4 -42.1 27.9 64.4 5.0 419 466 A K H < S+ 0 0 96 -4,-2.5 4,-0.4 -5,-0.2 3,-0.4 0.931 112.9 44.5 -57.0 -46.6 26.8 68.0 5.3 420 467 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.895 106.6 57.4 -73.9 -36.3 26.0 67.7 9.0 421 468 A T H >< S+ 0 0 0 -4,-2.3 16,-1.8 1,-0.3 3,-0.9 0.783 99.6 62.1 -64.6 -23.7 29.1 65.8 10.0 422 469 A K T 3< S+ 0 0 114 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.683 105.6 46.6 -71.6 -17.1 31.2 68.6 8.6 423 470 A E T < S+ 0 0 104 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.220 95.7 84.8-111.8 13.6 29.6 71.0 11.2 424 471 A I S < S- 0 0 5 -3,-0.9 12,-2.9 -4,-0.2 13,-0.3 -0.961 84.6-114.9-115.6 127.6 30.0 68.8 14.2 425 472 A P B -S 435 0H 85 0, 0.0 10,-0.3 0, 0.0 7,-0.1 -0.361 32.3-113.2 -60.9 139.2 33.3 68.8 16.1 426 473 A S - 0 0 12 8,-2.5 8,-0.2 5,-0.4 10,-0.1 -0.530 18.1-157.8 -67.5 137.7 35.2 65.5 16.0 427 474 A P + 0 0 9 0, 0.0 2,-0.2 0, 0.0 88,-0.1 0.424 55.6 115.6 -91.2 1.0 35.5 63.9 19.4 428 475 A D S > S- 0 0 2 3,-0.2 3,-2.2 1,-0.1 2,-0.1 -0.481 75.8-104.9 -81.7 141.8 38.6 61.8 18.3 429 476 A D T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.381 110.1 24.5 -57.6 134.1 42.0 62.2 19.9 430 477 A G T 3 S+ 0 0 62 -2,-0.1 -1,-0.3 -3,-0.1 3,-0.2 0.310 106.9 81.0 91.0 -9.8 44.2 64.1 17.4 431 478 A F X + 0 0 28 -3,-2.2 3,-2.2 1,-0.1 -5,-0.4 -0.059 46.9 136.0-117.5 31.6 41.3 65.8 15.6 432 479 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.667 78.2 34.5 -63.9 -20.2 40.6 68.6 18.0 433 480 A S T 3 S+ 0 0 105 -3,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.063 108.8 84.0-115.8 27.8 40.2 71.4 15.4 434 481 A K S < S- 0 0 96 -3,-2.2 -8,-2.5 -8,-0.2 2,-0.1 -0.788 76.5-105.5-125.7 164.6 38.6 69.2 12.8 435 482 A S B > -S 425 0H 13 -2,-0.3 4,-1.8 -10,-0.3 3,-0.2 -0.457 28.0-112.3 -86.5 162.1 35.1 68.0 12.0 436 483 A L H > S+ 0 0 0 -12,-2.9 4,-2.6 -15,-0.7 5,-0.3 0.865 118.4 59.5 -58.0 -37.1 33.5 64.6 12.5 437 484 A Y H > S+ 0 0 24 -16,-1.8 4,-2.8 -13,-0.3 -1,-0.2 0.932 103.5 52.0 -58.6 -41.7 33.4 64.2 8.8 438 485 A E H > S+ 0 0 90 -17,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.921 113.0 42.0 -63.2 -43.5 37.2 64.6 8.6 439 486 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.917 115.0 51.0 -72.4 -37.8 37.9 61.9 11.1 440 487 A W H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 14,-0.3 0.912 110.2 49.4 -64.4 -43.8 35.3 59.5 9.7 441 488 A L H < S+ 0 0 44 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.923 111.8 48.7 -61.9 -42.9 36.6 59.9 6.2 442 489 A E H < S+ 0 0 140 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.901 119.8 38.1 -62.5 -39.0 40.2 59.2 7.3 443 490 A K H < S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.727 130.2 20.7 -90.8 -25.2 39.1 56.1 9.3 444 491 A D S < S- 0 0 26 -4,-2.6 10,-3.0 -5,-0.2 -1,-0.2 -0.415 71.7-177.1-145.6 68.5 36.5 54.6 7.1 445 492 A P E -T 453 0I 56 0, 0.0 5,-0.2 0, 0.0 6,-0.1 -0.348 36.1-104.2 -62.7 145.4 36.6 55.6 3.4 446 493 A S E > -T 449 0I 9 6,-3.4 3,-0.8 3,-0.7 6,-0.2 -0.495 17.8-136.4 -72.1 137.5 33.9 54.3 1.1 447 494 A P T 3 S+ 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.815 104.7 48.9 -61.5 -31.4 35.0 51.5 -1.2 448 495 A E T 3 S+ 0 0 125 1,-0.3 2,-0.2 4,-0.0 -2,-0.0 0.547 126.3 20.5 -90.8 -5.1 33.2 53.1 -4.2 449 496 A N E X -T 446 0I 55 -3,-0.8 3,-2.1 3,-0.2 -3,-0.7 -0.704 63.2-159.4-161.9 107.9 34.6 56.6 -3.7 450 497 A K E 3 S+ 0 0 143 1,-0.3 4,-0.1 -3,-0.2 -2,-0.0 0.628 92.1 60.6 -64.5 -16.0 37.8 57.1 -1.7 451 498 A N E 3 S+ 0 0 119 -6,-0.1 -1,-0.3 2,-0.1 -10,-0.1 0.231 99.9 63.5-100.6 11.7 36.9 60.7 -1.1 452 499 A L E < S- 0 0 55 -3,-2.1 -6,-3.4 -6,-0.2 -3,-0.2 -0.991 86.7-109.0-128.0 147.8 33.7 60.0 0.8 453 500 A P E -T 445 0I 0 0, 0.0 2,-0.2 0, 0.0 -12,-0.1 -0.378 46.0 -94.5 -67.0 151.7 33.1 58.1 4.1 454 501 A R - 0 0 54 -10,-3.0 -47,-0.5 -14,-0.3 2,-0.4 -0.431 38.6-172.6 -66.1 131.1 31.5 54.7 3.9 455 502 A I E -h 407 0A 15 -2,-0.2 -47,-0.2 -49,-0.1 2,-0.2 -1.000 15.1-145.0-122.5 128.0 27.7 54.5 4.3 456 503 A N E -h 408 0A 30 -49,-2.5 -47,-1.7 -2,-0.4 2,-0.1 -0.511 16.5-104.3 -90.4 161.1 26.1 51.1 4.6 457 504 A K - 0 0 74 -49,-0.2 2,-0.5 -2,-0.2 188,-0.4 -0.417 36.9-109.1 -75.2 155.8 22.8 49.7 3.4 458 505 A L + 0 0 4 -2,-0.1 188,-0.3 1,-0.1 186,-0.1 -0.762 48.7 146.8 -89.4 128.8 19.9 49.0 5.7 459 506 A G - 0 0 3 -2,-0.5 2,-0.2 184,-0.4 184,-0.2 0.310 55.8 -72.0-115.1-112.0 18.8 45.4 6.5 460 507 A S S S+ 0 0 2 182,-1.7 -1,-0.4 181,-0.2 3,-0.1 -0.569 71.7 115.4-134.9-163.3 17.4 44.8 10.0 461 508 A G S S+ 0 0 0 1,-0.3 2,-0.3 -2,-0.2 182,-0.1 0.336 80.0 40.6 116.8 -15.1 18.6 44.7 13.6 462 509 A S S > S- 0 0 0 -92,-0.1 3,-2.0 -66,-0.0 -1,-0.3 -0.945 97.9 -75.0-158.5-177.8 16.8 47.6 15.1 463 510 A D T 3 S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.4 0.547 110.3 74.3 -72.1 -9.2 13.5 49.5 15.2 464 511 A F T 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.671 74.6 93.7 -67.3 -13.9 13.8 51.3 11.8 465 512 A E H <>>S+ 0 0 4 -3,-2.0 4,-2.6 1,-0.3 5,-0.7 0.887 85.3 39.2 -54.3 -52.9 13.0 47.9 10.2 466 513 A A H >>S+ 0 0 2 -3,-0.4 5,-2.0 1,-0.2 4,-1.2 0.906 115.4 53.8 -66.9 -36.6 9.2 48.2 9.8 467 514 A Y H 45S+ 0 0 0 -4,-0.5 6,-2.7 3,-0.2 -1,-0.2 0.911 122.9 26.4 -61.7 -43.2 9.4 51.9 8.8 468 515 A F H X5S+ 0 0 0 -4,-2.5 4,-1.0 4,-0.2 -2,-0.2 0.943 128.9 36.2 -86.7 -53.6 11.9 51.3 6.0 469 516 A Q H <5S+ 0 0 1 -4,-2.6 162,-2.7 -5,-0.3 163,-0.9 0.764 130.8 27.1 -79.3 -27.4 11.4 47.8 4.8 470 517 A R T <> - 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