==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUL-01 1H7K . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR P.ANDREOLETTI,S.GAMBARELLI,J.GAILLARD,G.SAINZ,V.STOJANOFF, . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 2 1 2 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 0 1 0 2 1 1 2 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 0 0 0 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 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 4 A K 0 0 258 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.9 80.8 10.9 -18.6 2 5 A K - 0 0 184 1,-0.0 2,-0.0 8,-0.0 0, 0.0 -0.864 360.0-120.5-104.5 124.7 78.9 8.3 -20.7 3 6 A L + 0 0 80 -2,-0.5 8,-1.7 8,-0.1 2,-0.3 -0.276 37.1 170.6 -60.4 131.3 75.3 7.4 -20.0 4 7 A T B -A 10 0A 67 6,-0.3 2,-0.0 -2,-0.0 5,-0.0 -0.932 34.6-102.3-138.4 161.8 74.5 3.8 -19.2 5 8 A T > - 0 0 23 4,-3.3 3,-1.9 -2,-0.3 6,-0.1 -0.287 45.7 -97.5 -74.5 170.9 71.4 1.9 -18.0 6 9 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 126.3 56.7 -64.0 -18.7 71.2 0.8 -14.3 7 10 A A T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.391 124.3-100.9 -93.0 0.6 72.5 -2.6 -15.5 8 11 A G S < S+ 0 0 53 -3,-1.9 -2,-0.1 1,-0.3 0, 0.0 0.392 77.4 134.0 97.7 -3.0 75.7 -1.2 -17.1 9 12 A A - 0 0 49 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.566 59.8-110.9 -81.8 141.0 74.6 -1.2 -20.7 10 13 A P B -A 4 0A 101 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.449 23.4-134.7 -70.1 140.9 75.3 1.9 -22.8 11 14 A V - 0 0 23 -8,-1.7 3,-0.2 1,-0.1 -8,-0.1 -0.875 15.1-166.8 -96.6 125.9 72.3 3.9 -23.9 12 15 A V S S+ 0 0 149 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.815 72.1 30.0 -81.8 -30.7 72.6 4.9 -27.5 13 16 A D + 0 0 66 1,-0.1 -1,-0.2 2,-0.1 19,-0.1 -0.966 46.6 163.2-137.2 120.3 69.8 7.5 -27.8 14 17 A N S S+ 0 0 69 -2,-0.4 3,-0.1 -3,-0.2 -1,-0.1 0.209 82.1 50.3-114.0 10.2 68.6 9.8 -25.0 15 18 A N S S+ 0 0 142 1,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.720 105.3 45.0-118.3 -42.4 66.8 12.2 -27.3 16 19 A N - 0 0 115 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.993 65.7-145.6-117.6 132.2 64.6 10.1 -29.6 17 20 A V - 0 0 58 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.0 -0.362 36.9 -92.7 -82.3 166.4 62.3 7.2 -28.8 18 21 A I + 0 0 69 9,-0.2 9,-1.9 -2,-0.1 2,-0.3 -0.710 51.7 174.1 -83.2 130.8 61.7 4.3 -31.2 19 22 A T B -B 26 0B 50 -2,-0.4 2,-1.8 7,-0.2 7,-0.2 -0.960 43.0-110.3-137.0 153.8 58.7 4.8 -33.5 20 23 A A S S- 0 0 59 5,-2.4 3,-0.1 -2,-0.3 6,-0.0 -0.636 97.7 -20.9 -83.3 83.8 57.2 2.9 -36.5 21 24 A G S > S- 0 0 40 -2,-1.8 3,-1.7 3,-0.2 0, 0.0 -0.031 94.5 -71.9 94.6 157.2 58.2 5.5 -39.0 22 25 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.811 136.7 27.1 -53.0 -39.2 59.1 9.2 -38.5 23 26 A R T 3 S+ 0 0 253 -3,-0.1 -2,-0.1 -4,-0.0 -3,-0.0 -0.020 106.2 112.4-116.1 31.4 55.5 10.2 -37.7 24 27 A G S < S- 0 0 21 -3,-1.7 -3,-0.2 1,-0.1 2,-0.0 -0.442 72.3 -80.8-101.1 169.8 54.5 6.8 -36.4 25 28 A P - 0 0 100 0, 0.0 -5,-2.4 0, 0.0 -1,-0.1 -0.252 52.1 -93.7 -68.3 153.5 53.5 5.4 -33.0 26 29 A M B -B 19 0B 90 -7,-0.2 2,-0.3 1,-0.1 -7,-0.2 -0.375 34.8-127.6 -68.7 145.0 56.0 4.3 -30.3 27 30 A L > - 0 0 65 -9,-1.9 3,-1.0 1,-0.1 -9,-0.2 -0.744 8.3-134.1 -95.8 143.3 57.2 0.8 -30.0 28 31 A L T 3 S+ 0 0 143 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.803 97.3 74.8 -63.3 -31.2 57.0 -1.1 -26.7 29 32 A Q T 3 + 0 0 145 1,-0.1 2,-1.7 4,-0.0 -1,-0.2 0.251 58.8 113.3 -70.8 11.4 60.6 -2.3 -27.2 30 33 A D <> + 0 0 16 -3,-1.0 4,-1.8 1,-0.2 5,-0.1 -0.672 42.5 175.1 -84.0 86.6 62.1 1.0 -26.3 31 34 A V H > S+ 0 0 103 -2,-1.7 4,-2.5 1,-0.2 5,-0.2 0.822 70.8 54.5 -64.8 -35.8 63.7 -0.3 -23.1 32 35 A W H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.907 108.0 50.9 -67.2 -40.5 65.6 2.9 -22.1 33 36 A F H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.948 112.6 46.3 -59.7 -48.9 62.4 5.0 -22.3 34 37 A L H X S+ 0 0 76 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 116.1 44.5 -57.5 -51.8 60.5 2.5 -20.1 35 38 A E H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.945 115.0 48.6 -60.0 -48.5 63.4 2.3 -17.5 36 39 A K H X S+ 0 0 92 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.932 116.1 40.8 -60.6 -50.2 63.9 6.1 -17.5 37 40 A L H X S+ 0 0 62 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.851 112.4 57.3 -68.9 -31.4 60.3 7.0 -17.0 38 41 A A H < S+ 0 0 37 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.902 109.6 43.1 -65.4 -43.8 59.7 4.2 -14.5 39 42 A H H >< S+ 0 0 122 -4,-2.2 3,-1.1 2,-0.2 -1,-0.2 0.893 113.5 53.2 -67.4 -40.6 62.5 5.4 -12.2 40 43 A F H >< S+ 0 0 115 -4,-1.9 3,-1.7 1,-0.3 4,-0.3 0.918 102.3 58.0 -60.6 -43.4 61.2 9.0 -12.6 41 44 A D T 3< S+ 0 0 113 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.675 112.5 42.7 -61.5 -16.2 57.7 7.9 -11.7 42 45 A R T < S+ 0 0 187 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.151 76.5 110.1-118.5 18.9 59.1 6.7 -8.3 43 46 A E < + 0 0 126 -3,-1.7 2,-0.3 2,-0.0 -2,-0.1 0.860 66.1 73.6 -62.2 -37.5 61.5 9.5 -7.4 44 47 A V - 0 0 120 -4,-0.3 3,-0.1 -3,-0.1 0, 0.0 -0.591 57.1-171.5 -90.7 140.5 59.5 10.7 -4.4 45 48 A I - 0 0 40 -2,-0.3 296,-0.1 1,-0.1 297,-0.1 -0.703 45.1 -69.5-114.5 169.1 59.0 9.1 -1.0 46 49 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.296 51.0-124.6 -61.2 142.1 56.5 10.2 1.7 47 50 A E - 0 0 59 1,-0.1 5,-0.1 -3,-0.1 6,-0.1 -0.428 39.7 -80.6 -81.2 163.5 57.3 13.5 3.5 48 51 A R - 0 0 23 4,-0.2 4,-0.2 3,-0.1 -1,-0.1 -0.366 31.5-131.9 -63.0 142.9 57.7 13.6 7.3 49 52 A R S S+ 0 0 149 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.779 95.6 21.3 -66.4 -27.8 54.4 13.8 9.2 50 53 A X S S+ 0 0 28 1,-0.1 43,-0.1 2,-0.0 42,-0.1 -0.965 129.3 16.7-138.8 151.1 55.9 16.7 11.1 51 54 A H + 0 0 39 41,-1.7 41,-0.2 -2,-0.3 -3,-0.1 0.834 69.7 159.1 55.2 37.1 58.8 19.1 10.3 52 55 A A + 0 0 1 40,-0.5 2,-0.6 42,-0.3 -4,-0.2 0.891 55.3 68.8 -59.8 -33.1 58.7 18.1 6.6 53 56 A K S S+ 0 0 8 41,-0.7 38,-1.5 38,-0.4 2,-0.3 -0.810 73.5 133.9 -93.6 121.2 60.5 21.3 5.6 54 57 A G E -C 90 0C 5 -2,-0.6 2,-0.3 36,-0.2 36,-0.2 -0.950 43.6-134.3-158.6 175.4 64.1 21.5 6.6 55 58 A S E -C 89 0C 1 34,-2.7 34,-2.8 -2,-0.3 2,-0.3 -0.984 21.8-161.7-134.9 145.3 67.8 22.1 6.1 56 59 A G E +C 88 0C 4 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.792 10.5 174.2-126.9 168.3 70.8 20.1 7.1 57 60 A A E -C 87 0C 0 30,-1.8 30,-2.5 -2,-0.3 2,-0.3 -0.925 26.0-123.5-169.6 144.2 74.5 20.5 7.7 58 61 A F E +CD 86 296C 11 238,-3.4 238,-1.9 -2,-0.3 237,-1.4 -0.678 42.1 143.5 -93.4 150.0 77.5 18.4 8.9 59 62 A G E -CD 85 294C 0 26,-2.6 26,-1.8 -2,-0.3 2,-0.3 -0.781 38.3 -97.9-156.7-155.9 79.7 19.6 11.8 60 63 A T E -CD 84 293C 30 233,-2.0 233,-2.1 24,-0.2 2,-0.4 -0.998 15.6-145.7-150.4 139.3 81.7 18.7 14.8 61 64 A F E -CD 83 292C 1 22,-3.0 22,-2.1 -2,-0.3 2,-0.4 -0.890 15.0-166.5-106.2 137.3 81.2 18.8 18.6 62 65 A T E -CD 82 291C 10 229,-3.1 229,-2.1 -2,-0.4 2,-0.4 -0.985 17.1-134.1-129.0 127.5 84.0 19.6 21.0 63 66 A V E + D 0 290C 1 18,-1.9 17,-2.8 -2,-0.4 227,-0.3 -0.642 26.4 170.3 -78.8 127.1 84.1 19.0 24.8 64 67 A T + 0 0 58 225,-1.9 2,-0.3 -2,-0.4 226,-0.2 0.573 62.3 39.7-111.1 -17.1 85.4 22.0 26.7 65 68 A H S S- 0 0 88 224,-2.0 2,-0.6 13,-0.1 -1,-0.2 -0.967 81.2-110.4-136.0 153.9 84.6 21.0 30.3 66 69 A D + 0 0 102 -2,-0.3 3,-0.1 1,-0.1 11,-0.1 -0.717 38.2 158.0 -88.6 115.6 84.7 17.9 32.3 67 70 A I >> + 0 0 2 -2,-0.6 3,-2.1 9,-0.5 4,-1.6 0.050 33.7 123.6-121.0 25.8 81.3 16.4 33.3 68 71 A T T 34 + 0 0 58 1,-0.3 133,-0.4 2,-0.2 -1,-0.1 0.730 63.4 68.8 -57.5 -26.6 82.6 12.9 33.9 69 72 A K T 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 131,-0.1 0.700 110.4 34.6 -68.3 -16.9 81.2 12.9 37.5 70 73 A Y T <4 S+ 0 0 42 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.774 122.9 29.2-105.6 -36.4 77.7 12.9 36.0 71 74 A T < - 0 0 3 -4,-1.6 129,-0.3 127,-0.1 -1,-0.3 -0.985 44.7-159.2-137.1 142.9 77.9 10.8 32.8 72 75 A R + 0 0 80 127,-2.3 246,-0.1 -2,-0.4 128,-0.1 0.427 51.5 136.7 -91.3 -1.7 80.0 7.8 31.5 73 76 A A > - 0 0 0 126,-0.3 3,-1.4 245,-0.3 4,-0.3 -0.213 56.1-138.4 -51.3 128.7 79.1 8.7 27.9 74 77 A K G > S+ 0 0 85 243,-0.3 3,-0.9 1,-0.3 4,-0.3 0.776 99.0 68.5 -60.5 -30.2 82.1 8.4 25.6 75 78 A I G 3 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.768 111.6 33.1 -62.0 -25.4 81.2 11.6 23.8 76 79 A F G < S+ 0 0 1 -3,-1.4 -9,-0.5 1,-0.1 -1,-0.3 0.316 87.6 110.5-111.5 6.5 82.0 13.6 27.0 77 80 A S S < S+ 0 0 41 -3,-0.9 2,-0.3 -4,-0.3 -2,-0.1 0.733 81.0 23.0 -56.0 -30.8 84.8 11.3 28.3 78 81 A E S > S- 0 0 135 -4,-0.3 3,-1.9 -3,-0.2 -15,-0.3 -0.998 79.8-109.6-145.3 141.9 87.7 13.8 27.7 79 82 A V T 3 S+ 0 0 73 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.472 108.3 23.5 -65.8 127.9 88.2 17.6 27.4 80 83 A G T 3 S+ 0 0 41 -17,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.246 86.5 145.0 99.4 -11.5 89.1 18.4 23.8 81 84 A K < - 0 0 36 -3,-1.9 -18,-1.9 -19,-0.1 2,-0.3 -0.401 35.9-151.1 -64.3 128.8 87.5 15.3 22.4 82 85 A K E -C 62 0C 137 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.799 12.8-172.9-106.1 146.3 85.9 15.8 19.0 83 86 A T E -C 61 0C 15 -22,-2.1 -22,-3.0 -2,-0.3 31,-0.1 -0.999 24.2-122.3-139.5 132.8 82.9 14.0 17.5 84 87 A E E +C 60 0C 72 29,-0.4 29,-2.1 -2,-0.4 2,-0.3 -0.381 40.0 173.7 -69.5 150.1 81.4 14.2 14.1 85 88 A M E -CE 59 112C 0 -26,-1.8 -26,-2.6 27,-0.2 2,-0.4 -0.980 26.2-143.1-155.2 166.4 77.8 15.2 13.9 86 89 A F E -CE 58 111C 0 25,-2.3 25,-3.2 -2,-0.3 2,-0.4 -0.994 15.2-163.5-134.8 141.2 74.8 16.1 11.7 87 90 A A E -CE 57 110C 0 -30,-2.5 -30,-1.8 -2,-0.4 2,-0.4 -0.951 7.6-168.9-129.6 146.2 72.1 18.7 12.2 88 91 A R E -CE 56 109C 8 21,-2.5 21,-2.2 -2,-0.4 2,-0.3 -0.969 7.6-167.5-135.7 116.5 68.7 19.3 10.6 89 92 A F E +CE 55 108C 2 -34,-2.8 -34,-2.7 -2,-0.4 2,-0.3 -0.821 20.6 153.7 -99.9 148.0 66.7 22.5 11.3 90 93 A S E -CE 54 107C 4 17,-1.3 17,-2.7 -2,-0.3 2,-0.3 -0.910 41.0-107.2-160.0 177.9 63.1 22.8 10.4 91 94 A T E - E 0 106C 0 -38,-1.5 -38,-0.4 -2,-0.3 15,-0.2 -0.805 27.9-134.5-110.2 159.3 59.6 24.3 10.9 92 95 A V S S+ 0 0 9 13,-1.2 -41,-1.7 -2,-0.3 -40,-0.5 0.954 89.3 31.3 -83.4 -50.9 56.8 22.3 12.4 93 96 A A S S+ 0 0 2 12,-0.2 -1,-0.1 -43,-0.1 2,-0.1 0.692 89.8 100.8 -86.1 -24.4 53.6 22.9 10.3 94 97 A G - 0 0 0 5,-0.1 -41,-0.7 -41,-0.1 -42,-0.3 -0.343 62.3-133.7 -71.1 145.0 54.8 23.5 6.7 95 98 A E > - 0 0 42 -43,-0.1 3,-2.6 -44,-0.1 -1,-0.1 -0.373 50.1 -72.7 -81.7 174.1 54.7 20.9 4.0 96 99 A R T 3 S+ 0 0 92 1,-0.3 -42,-0.1 -2,-0.1 -2,-0.1 0.732 132.3 33.7 -37.8 -46.1 57.7 20.4 1.7 97 100 A G T 3 S+ 0 0 62 -44,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.211 90.5 124.7-103.2 18.4 57.3 23.6 -0.3 98 101 A A S < S- 0 0 18 -3,-2.6 2,-0.4 1,-0.1 -4,-0.0 0.143 70.4 -78.3 -64.4-176.2 56.0 25.9 2.4 99 102 A A - 0 0 9 1,-0.1 3,-0.3 136,-0.1 136,-0.2 -0.729 26.5-148.8 -91.3 137.2 57.5 29.2 3.4 100 103 A D S S+ 0 0 1 134,-1.9 2,-1.9 -2,-0.4 -1,-0.1 0.940 89.6 63.8 -66.8 -47.7 60.6 29.3 5.7 101 104 A A S S+ 0 0 8 132,-0.3 2,-0.3 125,-0.1 -1,-0.2 -0.395 73.2 127.9 -81.9 64.9 59.7 32.6 7.3 102 105 A E S S- 0 0 52 -2,-1.9 2,-0.7 -3,-0.3 -8,-0.0 -0.871 71.9-101.0-116.7 149.9 56.4 31.7 9.1 103 106 A R S S+ 0 0 45 -2,-0.3 2,-0.3 78,-0.1 78,-0.2 -0.629 78.2 115.0 -69.4 112.5 55.6 32.2 12.8 104 107 A D S S- 0 0 13 76,-1.7 2,-0.1 -2,-0.7 -2,-0.0 -0.978 71.5 -78.0-172.7 162.3 56.2 28.7 14.0 105 108 A I - 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0 0 63 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.181 27.6-102.9 -73.2 172.1 58.4 45.2 27.0 428 431 A D H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.884 121.7 52.8 -63.5 -41.5 55.2 47.2 26.4 429 432 A D H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 109.1 48.8 -62.3 -41.3 55.9 47.4 22.7 430 433 A E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 108.0 55.3 -66.9 -35.9 56.3 43.7 22.4 431 434 A H H X S+ 0 0 17 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.909 107.1 50.0 -61.1 -44.3 53.0 43.2 24.3 432 435 A Q H X S+ 0 0 96 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 109.5 51.4 -62.7 -40.7 51.2 45.3 21.8 433 436 A R H X S+ 0 0 86 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.912 110.6 47.8 -65.4 -41.0 52.7 43.3 18.9 434 437 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.818 106.7 56.1 -72.7 -25.6 51.6 40.0 20.4 435 438 A F H X S+ 0 0 12 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.938 110.9 45.7 -67.2 -44.4 48.1 41.2 21.1 436 439 A A H X S+ 0 0 58 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.882 112.7 50.5 -63.6 -41.0 47.8 42.1 17.4 437 440 A R H X S+ 0 0 16 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.874 114.1 43.7 -66.8 -37.6 49.3 38.8 16.4 438 441 A I H >X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 3,-1.2 0.925 111.5 54.5 -73.1 -43.2 46.9 36.8 18.6 439 442 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.876 99.1 62.1 -58.3 -40.2 43.9 39.0 17.5 440 443 A G H 3< S+ 0 0 31 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.780 118.2 27.6 -58.1 -28.8 44.6 38.2 13.9 441 444 A E H X< S+ 0 0 36 -3,-1.2 3,-1.6 -4,-0.6 4,-0.3 0.863 120.2 51.2 -97.5 -50.5 44.0 34.5 14.5 442 445 A L H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 -3,-0.2 0.799 98.3 67.0 -60.4 -31.9 41.6 34.5 17.5 443 446 A S T 3< S+ 0 0 39 -4,-2.3 -1,-0.3 -5,-0.3 -3,-0.1 0.697 94.7 60.4 -64.0 -18.6 39.1 36.9 15.8 444 447 A Q T < S+ 0 0 125 -3,-1.6 -1,-0.3 -5,-0.2 -288,-0.2 0.626 90.5 87.7 -83.5 -14.8 38.4 34.2 13.2 445 448 A A S < S- 0 0 7 -3,-1.6 -289,-0.1 -4,-0.3 -288,-0.1 -0.339 92.3 -82.9 -81.0 166.2 37.1 31.7 15.9 446 449 A S > - 0 0 67 -290,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.124 40.9-109.8 -61.2 164.3 33.5 31.5 17.2 447 450 A K H > S+ 0 0 183 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.843 118.6 54.5 -67.2 -33.6 32.4 33.9 20.0 448 451 A E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 110.9 46.8 -66.6 -38.2 32.3 31.1 22.6 449 452 A T H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 110.0 52.1 -68.5 -44.9 35.9 30.2 21.7 450 453 A Q H X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.901 112.0 46.6 -58.5 -43.3 37.1 33.8 21.9 451 454 A Q H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.930 112.6 49.0 -66.1 -45.9 35.5 34.3 25.3 452 455 A R H X S+ 0 0 64 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.914 115.2 44.0 -61.2 -43.7 36.9 31.0 26.7 453 456 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.850 111.0 53.7 -70.9 -36.1 40.4 31.8 25.4 454 457 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.865 106.8 52.8 -66.6 -35.2 40.3 35.4 26.6 455 458 A D H X S+ 0 0 76 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.867 107.6 52.2 -66.6 -36.4 39.4 34.2 30.1 456 459 A L H X S+ 0 0 15 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.944 109.8 47.7 -64.0 -47.4 42.5 31.9 30.0 457 460 A F H >X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.876 107.6 56.3 -60.9 -39.3 44.7 34.8 29.0 458 461 A T H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.897 102.9 55.3 -59.8 -40.4 43.2 36.9 31.8 459 462 A K H 3< S+ 0 0 129 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.752 106.8 50.9 -64.1 -25.8 44.2 34.2 34.3 460 463 A V H << S- 0 0 0 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.932 141.6 -28.3 -74.4 -47.7 47.7 34.5 33.1 461 464 A H >X - 0 0 40 -4,-2.2 4,-1.9 -5,-0.1 3,-0.7 -0.850 55.3-128.3-169.3 127.8 47.6 38.3 33.6 462 465 A P H 3> S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.818 111.6 51.1 -52.1 -33.1 44.5 40.7 33.5 463 466 A E H 3> S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.832 105.0 56.9 -72.2 -35.6 46.3 43.0 31.1 464 467 A Y H <> S+ 0 0 0 -3,-0.7 4,-1.7 -7,-0.2 -6,-0.2 0.967 112.4 41.0 -58.4 -53.3 47.2 40.1 28.8 465 468 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -8,-0.4 -2,-0.2 0.877 115.7 49.8 -63.8 -40.8 43.5 39.2 28.5 466 469 A A H X S+ 0 0 51 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.871 108.7 53.6 -66.3 -37.7 42.4 42.9 28.2 467 470 A G H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.858 111.2 44.9 -65.3 -36.9 45.0 43.5 25.5 468 471 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.878 112.2 52.0 -73.6 -38.7 43.7 40.6 23.4 469 472 A E H X S+ 0 0 77 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.916 113.0 45.6 -63.1 -42.0 40.1 41.6 24.0 470 473 A K H X S+ 0 0 144 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.935 109.2 53.3 -66.8 -50.2 40.9 45.2 22.8 471 474 A A H X S+ 0 0 19 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.780 106.3 54.4 -57.8 -31.0 42.9 44.1 19.7 472 475 A I H < S+ 0 0 23 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.901 107.2 50.3 -70.7 -39.7 40.0 42.0 18.5 473 476 A K H < S+ 0 0 156 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.751 99.9 64.3 -68.5 -28.3 37.6 45.0 18.7 474 477 A V H < 0 0 114 -4,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.864 360.0 360.0 -62.9 -35.0 40.0 47.1 16.7 475 478 A L < 0 0 143 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.867 360.0 360.0 -86.5 360.0 39.4 44.7 13.8