==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JAN-03 1NM0 . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR P.ANDREOLETTI,A.PERNOUD,P.GOUET,H.M.JOUVE . 476 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 59.2 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 . 73 15.3 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 . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 2 2 2 1 0 0 2 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 3 0 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 0 264 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.0 80.6 10.6 -18.5 2 5 A K - 0 0 188 1,-0.0 2,-0.1 8,-0.0 0, 0.0 -0.827 360.0-116.3 -99.6 134.6 78.6 8.3 -20.9 3 6 A L + 0 0 82 -2,-0.4 8,-1.7 8,-0.2 2,-0.3 -0.409 42.3 169.7 -68.6 136.7 75.0 7.5 -20.1 4 7 A T B -A 10 0A 68 6,-0.2 2,-0.0 -2,-0.1 -1,-0.0 -0.949 34.3 -97.5-145.3 163.3 74.3 3.8 -19.4 5 8 A T > - 0 0 25 4,-3.5 3,-1.6 -2,-0.3 6,-0.1 -0.228 41.0-102.3 -76.8 171.9 71.3 1.8 -18.0 6 9 A A T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.715 126.2 55.1 -69.3 -21.4 71.0 0.7 -14.4 7 10 A A T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.430 125.4-105.6 -90.1 -1.6 72.2 -2.8 -15.5 8 11 A G S < S+ 0 0 55 -3,-1.6 -2,-0.1 1,-0.3 0, 0.0 0.581 74.0 135.0 92.3 12.2 75.3 -1.2 -17.0 9 12 A A - 0 0 48 1,-0.1 -4,-3.5 0, 0.0 -1,-0.3 -0.656 61.1 -97.5 -93.8 150.2 74.5 -1.3 -20.8 10 13 A P B -A 4 0A 108 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.276 27.9-131.4 -64.4 148.7 75.1 1.8 -23.0 11 14 A V - 0 0 23 -8,-1.7 3,-0.2 1,-0.2 -8,-0.2 -0.932 19.1-170.1-104.9 119.1 72.2 4.1 -23.9 12 15 A V S S+ 0 0 149 -2,-0.6 2,-0.5 1,-0.3 -1,-0.2 0.966 72.0 15.1 -74.7 -58.4 72.2 4.8 -27.6 13 16 A D + 0 0 67 1,-0.1 -1,-0.3 3,-0.1 19,-0.1 -0.975 52.2 166.3-128.3 123.3 69.5 7.5 -27.9 14 17 A N S S+ 0 0 57 -2,-0.5 3,-0.1 -3,-0.2 -1,-0.1 0.126 81.6 51.2-116.1 16.1 68.3 9.5 -24.9 15 18 A N S S+ 0 0 142 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.494 106.8 45.1-132.0 -9.9 66.6 12.2 -27.0 16 19 A N S S- 0 0 114 3,-0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.990 70.5-143.4-139.6 130.3 64.4 10.3 -29.5 17 20 A V - 0 0 62 -2,-0.4 2,-0.5 -3,-0.1 -3,-0.0 -0.295 34.0 -94.7 -82.7 171.8 62.1 7.3 -28.6 18 21 A I + 0 0 71 9,-0.3 9,-2.1 -2,-0.1 2,-0.3 -0.799 52.0 173.5 -90.9 125.9 61.6 4.4 -31.0 19 22 A T B -B 26 0B 50 -2,-0.5 2,-1.7 7,-0.3 7,-0.2 -0.893 44.5-105.0-130.9 160.8 58.5 4.9 -33.2 20 23 A A S S- 0 0 55 5,-2.7 3,-0.2 -2,-0.3 6,-0.1 -0.660 98.2 -23.7 -86.3 84.0 57.0 2.9 -36.1 21 24 A G S > S- 0 0 39 -2,-1.7 3,-1.9 1,-0.1 -1,-0.0 -0.013 96.2 -67.0 92.1 159.4 58.1 5.4 -38.8 22 25 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.788 137.2 24.5 -51.7 -37.5 59.0 9.2 -38.3 23 26 A R T 3 S+ 0 0 255 -3,-0.2 -2,-0.1 -4,-0.0 -3,-0.0 -0.068 106.2 111.2-120.2 31.7 55.4 10.2 -37.5 24 27 A G S < S- 0 0 22 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.496 73.2 -79.8-102.1 172.6 54.2 6.8 -36.2 25 28 A P - 0 0 100 0, 0.0 -5,-2.7 0, 0.0 -1,-0.1 -0.215 53.4 -91.6 -67.2 158.9 53.3 5.4 -32.7 26 29 A M B -B 19 0B 87 -7,-0.2 2,-0.3 1,-0.1 -7,-0.3 -0.374 34.3-130.4 -73.4 149.0 55.8 4.4 -30.1 27 30 A L > - 0 0 61 -9,-2.1 3,-1.1 1,-0.1 -9,-0.3 -0.792 9.5-134.6 -98.9 145.5 57.1 0.8 -29.9 28 31 A L T 3 S+ 0 0 145 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.780 97.2 76.7 -70.9 -25.2 57.0 -1.0 -26.5 29 32 A Q T 3 + 0 0 140 1,-0.1 2,-2.1 2,-0.1 -1,-0.3 0.412 59.3 109.6 -70.9 4.3 60.5 -2.4 -27.1 30 33 A D <> + 0 0 13 -3,-1.1 4,-1.7 1,-0.2 3,-0.2 -0.589 45.0 172.6 -79.2 84.4 62.0 1.1 -26.3 31 34 A V H > S+ 0 0 104 -2,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.768 70.0 57.8 -69.7 -26.4 63.4 -0.4 -23.0 32 35 A W H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.907 106.3 50.1 -71.5 -37.4 65.4 2.8 -22.2 33 36 A F H > S+ 0 0 72 -3,-0.2 4,-2.4 2,-0.2 5,-0.3 0.922 112.7 46.4 -63.3 -45.7 62.2 4.9 -22.3 34 37 A L H X S+ 0 0 77 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.936 116.5 44.4 -62.8 -47.3 60.4 2.4 -20.0 35 38 A E H X S+ 0 0 54 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.946 115.2 47.0 -63.9 -50.1 63.4 2.2 -17.5 36 39 A K H X S+ 0 0 92 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.926 118.5 40.0 -60.4 -47.9 64.0 6.0 -17.5 37 40 A L H X S+ 0 0 59 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.811 111.3 58.0 -74.2 -28.5 60.3 6.9 -17.0 38 41 A A H < S+ 0 0 38 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.890 110.7 42.2 -69.3 -38.9 59.7 4.1 -14.5 39 42 A H H >< S+ 0 0 120 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.889 113.5 53.6 -72.6 -38.9 62.4 5.4 -12.2 40 43 A F H >< S+ 0 0 118 -4,-1.8 3,-1.3 1,-0.3 4,-0.2 0.877 102.8 57.5 -61.5 -40.6 61.2 9.0 -12.7 41 44 A D T 3< S+ 0 0 111 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.613 111.4 43.6 -68.8 -9.7 57.6 7.9 -11.7 42 45 A R T < S+ 0 0 186 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 -0.042 76.4 108.8-127.8 36.3 59.0 6.7 -8.3 43 46 A E < + 0 0 125 -3,-1.3 2,-0.3 2,-0.0 -2,-0.1 0.817 65.5 76.6 -80.8 -29.7 61.4 9.5 -7.3 44 47 A V - 0 0 99 -4,-0.2 3,-0.0 -3,-0.1 0, 0.0 -0.630 56.3-175.1 -90.6 141.4 59.1 10.8 -4.4 45 48 A I - 0 0 46 -2,-0.3 297,-0.1 1,-0.1 296,-0.1 -0.773 45.6 -73.1-122.5 164.3 58.7 9.2 -1.0 46 49 A P - 0 0 57 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.344 49.8-125.4 -61.9 140.7 56.3 10.3 1.8 47 50 A E - 0 0 59 1,-0.2 5,-0.1 2,-0.1 6,-0.1 -0.387 42.2 -76.5 -79.7 165.6 57.3 13.6 3.5 48 51 A R - 0 0 22 4,-0.2 4,-0.2 1,-0.1 -1,-0.2 -0.348 33.8-131.3 -63.1 142.1 57.6 13.7 7.4 49 52 A R S S+ 0 0 152 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.778 96.8 23.4 -66.6 -25.7 54.2 13.8 9.1 50 53 A X S S+ 0 0 24 1,-0.1 -1,-0.2 2,-0.0 43,-0.1 -0.989 127.9 17.9-141.3 145.1 55.7 16.7 11.1 51 54 A H S S+ 0 0 36 41,-1.8 -1,-0.1 -2,-0.3 41,-0.1 0.894 70.1 159.8 61.7 46.4 58.6 19.1 10.4 52 55 A A + 0 0 1 42,-0.6 2,-0.6 40,-0.5 -4,-0.2 0.782 55.3 67.8 -70.4 -28.6 58.3 18.2 6.7 53 56 A K S S+ 0 0 12 41,-0.6 38,-1.9 46,-0.1 2,-0.3 -0.848 73.5 133.4 -98.1 123.5 60.2 21.4 5.6 54 57 A G E -C 90 0C 3 -2,-0.6 2,-0.3 36,-0.2 36,-0.3 -0.963 42.1-142.2-160.6 174.0 63.8 21.5 6.7 55 58 A S E -C 89 0C 0 34,-2.5 34,-3.1 -2,-0.3 2,-0.3 -0.982 22.0-167.9-141.6 147.2 67.5 22.2 6.0 56 59 A G E +C 88 0C 6 -2,-0.3 2,-0.3 32,-0.3 32,-0.2 -0.873 11.0 176.6-137.2 169.5 70.6 20.3 7.2 57 60 A A E -C 87 0C 0 30,-2.0 30,-2.5 -2,-0.3 2,-0.3 -0.967 28.0-115.7-165.7 157.0 74.4 20.4 7.5 58 61 A F E +CD 86 296C 16 238,-3.2 238,-1.6 -2,-0.3 237,-1.4 -0.675 42.0 152.2 -98.3 155.2 77.3 18.3 9.0 59 62 A G E -CD 85 294C 0 26,-2.4 26,-2.0 235,-0.3 2,-0.3 -0.817 36.4-100.9-158.0-160.6 79.5 19.6 11.8 60 63 A T E -CD 84 293C 19 233,-2.0 233,-2.0 24,-0.3 2,-0.4 -0.996 17.5-147.8-144.0 141.9 81.7 18.7 14.8 61 64 A F E -CD 83 292C 0 22,-2.9 22,-2.2 -2,-0.3 2,-0.4 -0.916 14.5-165.1-110.1 139.1 81.1 18.8 18.6 62 65 A T E -CD 82 291C 12 229,-3.2 229,-2.2 -2,-0.4 2,-0.3 -0.991 16.0-133.8-129.7 130.5 84.0 19.6 20.9 63 66 A V E + D 0 290C 2 18,-2.0 17,-2.3 -2,-0.4 227,-0.3 -0.619 27.2 169.6 -81.6 137.3 84.0 19.0 24.7 64 67 A T + 0 0 57 225,-2.8 2,-0.3 -2,-0.3 226,-0.2 0.503 62.4 41.7-123.6 -15.9 85.3 22.0 26.7 65 68 A H S S- 0 0 83 224,-2.3 2,-0.6 13,-0.1 -1,-0.2 -0.967 79.0-116.2-137.1 154.6 84.4 21.0 30.3 66 69 A D + 0 0 91 -2,-0.3 11,-0.1 1,-0.1 3,-0.1 -0.780 39.9 155.0 -92.9 121.6 84.5 17.7 32.3 67 70 A I >> + 0 0 6 -2,-0.6 3,-2.0 9,-0.4 4,-1.5 -0.023 33.1 121.6-132.8 26.9 81.0 16.5 33.3 68 71 A T T 34 + 0 0 55 1,-0.3 133,-0.4 2,-0.2 -1,-0.1 0.663 63.4 72.6 -67.8 -14.8 82.1 12.8 33.7 69 72 A K T 34 S+ 0 0 125 1,-0.2 -1,-0.3 131,-0.1 131,-0.2 0.704 108.9 33.0 -73.0 -15.2 80.9 12.9 37.3 70 73 A Y T <4 S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.709 127.2 26.0-110.2 -29.8 77.4 13.0 35.9 71 74 A T < - 0 0 1 -4,-1.5 129,-0.3 127,-0.2 -1,-0.3 -0.996 46.2-157.1-142.9 148.3 77.6 10.8 32.7 72 75 A R + 0 0 78 127,-2.0 246,-0.1 -2,-0.3 128,-0.1 0.231 49.0 142.4-101.0 8.7 79.8 8.0 31.4 73 76 A A > - 0 0 1 245,-0.3 3,-1.7 126,-0.2 4,-0.2 -0.341 52.8-139.9 -56.5 127.2 78.8 8.9 27.8 74 77 A K G > S+ 0 0 79 243,-0.3 3,-0.9 1,-0.3 4,-0.3 0.737 98.8 69.3 -63.0 -23.8 82.0 8.4 25.6 75 78 A I G 3 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.789 110.2 32.9 -67.9 -24.6 81.1 11.6 23.7 76 79 A F G < S+ 0 0 1 -3,-1.7 -9,-0.4 1,-0.1 -1,-0.2 0.256 85.6 114.7-113.5 13.6 82.0 13.6 26.9 77 80 A S S < S+ 0 0 34 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.1 0.736 81.9 19.7 -59.3 -26.8 84.7 11.2 28.2 78 81 A E S > S- 0 0 134 -4,-0.3 3,-1.5 -3,-0.2 -15,-0.3 -1.000 80.7-108.4-147.8 150.2 87.5 13.9 27.7 79 82 A V T 3 S+ 0 0 83 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.540 109.6 24.0 -73.9 132.9 87.9 17.7 27.4 80 83 A G T 3 S+ 0 0 44 -17,-2.3 -1,-0.3 1,-0.3 2,-0.1 0.273 86.2 143.1 92.9 -9.6 88.9 18.5 23.8 81 84 A K < - 0 0 45 -3,-1.5 -18,-2.0 -19,-0.1 2,-0.3 -0.433 37.7-151.7 -66.7 133.3 87.3 15.3 22.4 82 85 A K E -C 62 0C 132 -20,-0.2 2,-0.4 -2,-0.1 -20,-0.2 -0.839 13.2-173.8-110.3 145.6 85.7 15.9 19.0 83 86 A T E -C 61 0C 12 -22,-2.2 -22,-2.9 -2,-0.3 31,-0.1 -0.989 23.6-125.8-141.1 129.3 82.8 14.0 17.6 84 87 A E E +C 60 0C 90 29,-0.4 29,-2.1 -2,-0.4 2,-0.3 -0.375 38.7 169.1 -71.4 151.6 81.3 14.4 14.1 85 88 A M E -CE 59 112C 0 -26,-2.0 -26,-2.4 27,-0.2 2,-0.3 -0.915 26.5-138.8-155.0 176.2 77.6 15.1 13.9 86 89 A F E -CE 58 111C 0 25,-1.9 25,-2.6 -2,-0.3 2,-0.3 -0.986 15.1-163.2-143.3 147.9 74.7 16.2 11.6 87 90 A A E -CE 57 110C 0 -30,-2.5 -30,-2.0 -2,-0.3 2,-0.4 -0.967 8.4-166.4-137.0 149.3 71.8 18.6 12.2 88 91 A R E -CE 56 109C 9 21,-2.1 21,-2.2 -2,-0.3 2,-0.3 -0.988 9.4-168.1-136.4 121.5 68.5 19.2 10.5 89 92 A F E +CE 55 108C 2 -34,-3.1 -34,-2.5 -2,-0.4 2,-0.3 -0.769 20.1 155.3-104.8 157.5 66.5 22.4 11.4 90 93 A S E -CE 54 107C 4 17,-1.1 17,-2.2 -2,-0.3 -36,-0.2 -0.954 40.9-107.4-167.3 177.8 62.9 22.8 10.2 91 94 A T - 0 0 0 -38,-1.9 16,-0.2 -2,-0.3 15,-0.1 -0.239 30.1-135.1-100.1-160.7 59.5 24.4 10.7 92 95 A V S S+ 0 0 7 13,-0.2 -41,-1.8 -2,-0.1 -40,-0.5 0.712 85.5 32.4-127.5 -57.0 56.5 22.3 12.0 93 96 A A S S+ 0 0 2 -43,-0.1 53,-0.1 12,-0.1 11,-0.0 0.866 92.6 98.5 -78.4 -41.8 53.2 22.7 10.2 94 97 A G - 0 0 0 5,-0.1 -41,-0.6 -41,-0.1 -42,-0.6 -0.118 68.0-128.0 -53.8 144.2 54.4 23.4 6.6 95 98 A E > - 0 0 37 -43,-0.2 3,-1.9 -44,-0.1 -1,-0.1 -0.205 48.3 -73.5 -78.6-177.1 54.6 20.7 3.9 96 99 A R T 3 S+ 0 0 129 1,-0.3 -42,-0.1 -48,-0.1 -1,-0.1 0.571 135.6 35.5 -55.9 -13.5 57.7 19.9 1.8 97 100 A G T 3 S+ 0 0 55 -44,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.372 87.5 121.4-127.1 7.1 57.1 23.1 -0.1 98 101 A A S < S- 0 0 16 -3,-1.9 2,-0.1 1,-0.1 4,-0.0 -0.150 73.7 -79.0 -69.4 166.4 55.7 25.7 2.4 99 102 A A - 0 0 8 1,-0.1 3,-0.3 2,-0.1 136,-0.1 -0.370 29.1-146.3 -67.6 141.8 57.4 29.0 3.2 100 103 A D S S+ 0 0 1 134,-1.2 2,-1.6 1,-0.2 -1,-0.1 0.887 91.5 64.7 -76.8 -39.5 60.4 28.9 5.5 101 104 A A S S+ 0 0 4 132,-0.3 2,-0.3 125,-0.1 -1,-0.2 -0.368 73.7 128.4 -88.6 63.7 59.7 32.3 7.1 102 105 A E S S- 0 0 50 -2,-1.6 2,-0.7 -3,-0.3 121,-0.0 -0.739 71.4-100.2-110.9 159.1 56.3 31.4 8.8 103 106 A R S S+ 0 0 43 -2,-0.3 2,-0.3 78,-0.1 78,-0.2 -0.723 79.2 109.4 -79.1 114.7 55.4 32.0 12.5 104 107 A D S S- 0 0 19 76,-1.7 2,-0.1 -2,-0.7 -2,-0.0 -0.965 74.3 -74.7-174.1 170.4 56.0 28.6 14.0 105 108 A I - 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0 0 66 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.237 26.6-109.6 -72.4 165.0 58.2 44.9 26.9 428 431 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.824 120.2 54.4 -65.6 -34.8 54.9 46.7 26.5 429 432 A D H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 108.3 48.0 -69.5 -36.5 55.6 47.2 22.8 430 433 A E H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 108.3 55.9 -70.5 -36.0 56.2 43.4 22.4 431 434 A H H X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.900 106.2 50.7 -60.0 -42.5 52.9 42.8 24.3 432 435 A Q H X S+ 0 0 114 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.892 110.6 48.5 -64.0 -39.9 51.1 45.0 21.7 433 436 A R H X S+ 0 0 86 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.928 111.9 50.0 -66.2 -41.7 52.7 43.0 18.8 434 437 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 108.9 51.5 -63.5 -43.1 51.6 39.7 20.6 435 438 A F H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.917 111.0 47.7 -61.5 -45.0 48.0 41.0 21.0 436 439 A A H X S+ 0 0 60 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.869 111.9 50.3 -65.2 -37.8 47.7 41.9 17.3 437 440 A R H X S+ 0 0 20 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.920 113.7 44.2 -68.1 -42.9 49.2 38.5 16.3 438 441 A I H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-1.1 0.920 110.6 55.8 -67.3 -43.3 46.7 36.5 18.5 439 442 A A H 3X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.886 98.6 62.6 -57.0 -43.0 43.8 38.8 17.4 440 443 A G H 3< S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.799 118.8 24.4 -54.9 -29.6 44.5 37.9 13.7 441 444 A E H X< S+ 0 0 41 -3,-1.1 3,-2.0 -4,-0.7 4,-0.3 0.861 121.0 52.4-101.0 -51.6 43.8 34.2 14.4 442 445 A L H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -3,-0.2 0.796 99.0 66.3 -59.2 -30.9 41.5 34.2 17.4 443 446 A S T 3< S+ 0 0 23 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.697 96.7 57.5 -66.2 -16.1 39.1 36.7 15.8 444 447 A Q T < S+ 0 0 120 -3,-2.0 -1,-0.3 -5,-0.2 -288,-0.2 0.590 92.7 89.3 -89.2 -10.7 38.3 33.9 13.2 445 448 A A S < S- 0 0 9 -3,-1.7 -289,-0.1 -4,-0.3 -288,-0.1 -0.196 92.2 -84.2 -78.7 174.9 37.2 31.6 16.0 446 449 A S > - 0 0 58 -290,-0.2 4,-2.7 1,-0.1 -1,-0.2 -0.292 38.0-110.4 -73.8 165.9 33.6 31.3 17.3 447 450 A K H > S+ 0 0 160 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.868 121.5 56.0 -65.8 -35.1 32.4 33.8 20.0 448 451 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 111.4 41.5 -62.1 -48.5 32.3 30.8 22.4 449 452 A T H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.897 112.6 54.5 -68.2 -42.5 36.0 30.0 21.7 450 453 A Q H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 111.9 43.9 -58.3 -47.4 37.1 33.7 21.7 451 454 A Q H X S+ 0 0 94 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.913 113.6 50.3 -65.8 -43.9 35.6 34.2 25.2 452 455 A R H X S+ 0 0 64 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.919 114.5 44.0 -62.2 -42.7 37.0 30.9 26.6 453 456 A Q H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.884 110.8 54.4 -70.8 -38.8 40.5 31.8 25.3 454 457 A I H X S+ 0 0 6 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.923 107.4 51.3 -60.1 -44.5 40.3 35.4 26.6 455 458 A D H X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.864 109.3 50.9 -62.3 -35.3 39.4 34.1 30.1 456 459 A L H X S+ 0 0 20 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.918 110.1 48.3 -69.5 -42.3 42.5 31.8 29.9 457 460 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 8,-0.6 0.834 108.8 55.4 -66.5 -30.9 44.8 34.7 28.9 458 461 A T H < S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 102.4 55.6 -68.9 -38.0 43.2 36.7 31.8 459 462 A K H < S+ 0 0 125 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.776 107.9 49.7 -66.2 -24.9 44.2 33.9 34.3 460 463 A V H < S- 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.932 142.3 -30.9 -76.1 -47.4 47.8 34.4 33.0 461 464 A H >X - 0 0 38 -4,-2.1 4,-2.0 -5,-0.1 3,-0.9 -0.834 54.0-128.6-171.2 130.8 47.5 38.2 33.6 462 465 A P H 3> S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.839 111.8 51.0 -54.4 -37.4 44.5 40.5 33.3 463 466 A E H 3> S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.771 106.7 57.0 -72.9 -25.3 46.3 42.9 30.9 464 467 A Y H <> S+ 0 0 0 -3,-0.9 4,-1.5 -7,-0.3 -6,-0.2 0.977 113.4 37.9 -67.7 -55.1 47.2 39.9 28.8 465 468 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -8,-0.6 -2,-0.2 0.855 116.9 50.2 -64.6 -37.8 43.6 38.9 28.3 466 469 A A H X S+ 0 0 53 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.883 109.1 54.1 -68.8 -38.7 42.3 42.5 28.1 467 470 A G H X S+ 0 0 11 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.834 109.5 46.0 -64.5 -33.9 44.9 43.2 25.4 468 471 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.914 113.3 49.6 -74.7 -43.3 43.8 40.3 23.2 469 472 A E H X S+ 0 0 98 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.907 112.8 47.8 -62.3 -41.9 40.1 41.2 23.6 470 473 A K H X S+ 0 0 141 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.926 108.9 52.9 -66.3 -45.5 40.9 44.8 22.7 471 474 A A H X S+ 0 0 19 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.809 109.6 49.7 -61.7 -30.9 43.0 43.8 19.6 472 475 A I H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.891 110.8 49.1 -74.8 -38.8 40.1 41.7 18.4 473 476 A K H < S+ 0 0 167 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.912 113.8 46.2 -66.0 -41.8 37.6 44.6 18.8 474 477 A V H < S+ 0 0 112 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.903 111.4 52.2 -67.7 -41.7 40.0 46.9 16.9 475 478 A L H < 0 0 103 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.925 360.0 360.0 -62.0 -46.5 40.6 44.4 14.1 476 479 A E < 0 0 149 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.477 360.0 360.0 -76.8 360.0 36.8 43.9 13.6