==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAR-12 4E37 . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.D.VANDERWIELEN,J.J.WILSON,R.A.KOVALL . 1918 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1219 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 322 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 146 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 227 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.0 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 0 0 4 7 5 8 6 2 0 6 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 . 26 8 4 4 0 10 2 4 8 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 3 4 0 0 0 0 0 0 4 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 3 A E 0 0 202 0, 0.0 2,-0.0 0, 0.0 1827,-0.0 0.000 360.0 360.0 360.0 125.8 25.9 -8.7 34.1 2 4 A K - 0 0 84 1828,-0.1 2,-0.4 1829,-0.0 1828,-0.2 -0.294 360.0-170.1 -65.7 134.4 23.7 -6.4 36.2 3 5 A T - 0 0 21 1826,-1.9 1829,-2.8 -2,-0.0 2,-0.3 -0.948 12.7-137.0-120.7 148.0 22.6 -3.1 34.8 4 6 A R B -a 1832 0A 129 -2,-0.4 2,-0.5 1827,-0.2 1798,-0.4 -0.723 19.1-116.6-100.5 153.1 20.8 -0.3 36.6 5 7 A L + 0 0 0 1827,-2.8 8,-2.2 -2,-0.3 2,-0.3 -0.762 42.0 165.7 -91.0 125.6 17.9 1.8 35.4 6 8 A T B -B 12 0B 14 -2,-0.5 1798,-0.6 1796,-0.5 2,-0.0 -0.927 36.4-104.5-132.4 160.0 18.6 5.5 34.9 7 9 A T > - 0 0 19 4,-3.0 3,-1.6 -2,-0.3 6,-0.1 -0.298 41.5-103.2 -70.6 166.2 17.0 8.5 33.2 8 10 A A T 3 S+ 0 0 3 1,-0.3 1789,-0.5 2,-0.1 -1,-0.1 0.851 126.2 54.6 -58.3 -35.0 18.3 9.8 29.9 9 11 A A T 3 S- 0 0 3 1787,-0.1 1552,-2.8 1552,-0.1 -1,-0.3 0.412 126.3-102.7 -82.0 0.3 19.9 12.7 31.9 10 12 A G S < S+ 0 0 4 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.0 0.535 73.2 138.1 95.9 10.0 21.7 10.1 34.2 11 13 A A - 0 0 12 1550,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.595 58.9-103.1 -84.9 148.2 19.6 10.1 37.3 12 14 A P B -B 6 0B 21 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.474 27.8-133.9 -66.6 135.6 18.7 6.8 39.1 13 15 A V - 0 0 6 -8,-2.2 1821,-3.1 1819,-0.2 -8,-0.2 -0.847 18.6-169.7 -90.9 126.3 15.1 5.6 38.6 14 16 A V S S+ 0 0 35 -2,-0.5 2,-0.5 1,-0.3 -1,-0.2 0.909 70.3 23.0 -84.5 -48.4 13.6 4.5 42.0 15 17 A D + 0 0 24 1,-0.1 -1,-0.3 1818,-0.1 19,-0.1 -0.946 48.7 164.5-133.1 109.5 10.4 2.8 41.0 16 18 A N S S+ 0 0 1 -2,-0.5 3,-0.1 -3,-0.2 -1,-0.1 0.187 81.5 55.5-101.3 11.6 9.9 1.2 37.5 17 19 A Q S S+ 0 0 26 1,-0.3 2,-0.4 601,-0.0 600,-0.2 0.733 106.3 38.3-111.6 -34.4 6.9 -0.8 38.8 18 20 A N - 0 0 8 599,-0.1 -1,-0.3 598,-0.1 873,-0.1 -0.978 67.8-140.7-130.0 130.2 4.5 1.8 40.3 19 21 A V - 0 0 0 -2,-0.4 871,-0.7 871,-0.1 2,-0.4 -0.297 37.5 -94.0 -74.9 167.3 3.6 5.3 39.2 20 22 A Q E +C 889 0C 30 9,-0.3 9,-2.5 869,-0.2 2,-0.3 -0.730 51.3 175.9 -85.0 132.7 3.1 8.1 41.7 21 23 A T E -CD 888 28C 0 867,-2.4 2,-1.7 -2,-0.4 867,-1.5 -0.882 44.9-103.4-133.5 162.6 -0.5 8.6 42.8 22 24 A A E S-C 887 0C 0 5,-2.3 862,-0.6 -2,-0.3 865,-0.2 -0.601 101.0 -27.6 -82.9 77.9 -2.5 10.8 45.2 23 25 A G S > S- 0 0 0 -2,-1.7 3,-2.0 863,-1.3 862,-0.2 -0.065 96.4 -64.6 87.2 161.6 -2.9 7.9 47.7 24 26 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 861,-0.1 0.781 139.0 25.7 -52.0 -39.1 -2.9 4.1 46.9 25 27 A R T 3 S+ 0 0 116 859,-0.4 -2,-0.1 -3,-0.2 860,-0.1 -0.030 103.2 112.0-119.1 27.8 -6.2 4.3 44.9 26 28 A G S < S- 0 0 5 -3,-2.0 -3,-0.1 1,-0.1 857,-0.1 -0.427 74.2 -82.9 -92.6 171.7 -5.8 8.0 43.9 27 29 A P - 0 0 0 0, 0.0 -5,-2.3 0, 0.0 -1,-0.1 -0.282 56.0 -84.4 -71.7 160.0 -5.2 9.5 40.4 28 30 A M B -D 21 0C 0 -7,-0.2 962,-2.1 778,-0.2 963,-0.5 -0.284 37.7-127.5 -70.0 148.8 -1.7 9.8 38.9 29 31 A L B > -F 989 0D 2 -9,-2.5 3,-1.5 960,-0.2 -9,-0.3 -0.809 4.9-140.3 -99.1 136.7 0.6 12.7 39.6 30 32 A L T 3 S+ 0 0 2 958,-1.9 6,-0.2 -2,-0.4 959,-0.1 0.775 96.1 72.6 -60.2 -28.3 2.1 14.8 36.8 31 33 A Q T 3 + 0 0 23 957,-0.5 2,-1.9 1,-0.1 -1,-0.3 0.451 62.7 105.4 -76.9 0.9 5.4 15.0 38.7 32 34 A D <> + 0 0 4 -3,-1.5 4,-1.5 1,-0.2 -1,-0.1 -0.647 47.8 171.2 -73.6 89.4 6.2 11.3 38.0 33 35 A V H > + 0 0 34 -2,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.721 67.8 60.5 -83.2 -19.4 8.7 12.4 35.5 34 36 A W H > S+ 0 0 15 2,-0.2 4,-3.3 -3,-0.2 5,-0.3 0.929 104.6 50.4 -69.0 -44.0 10.1 9.0 34.9 35 37 A F H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.926 112.6 47.2 -55.7 -48.3 6.7 7.8 33.7 36 38 A L H X S+ 0 0 6 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.899 115.6 44.5 -61.4 -44.2 6.5 10.8 31.3 37 39 A E H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.942 115.0 47.2 -66.5 -49.9 10.0 10.3 30.0 38 40 A K H X S+ 0 0 2 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.916 117.2 42.1 -61.6 -45.0 9.6 6.5 29.6 39 41 A L H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.900 111.4 55.1 -72.4 -36.5 6.3 6.7 27.8 40 42 A A H < S+ 0 0 0 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.868 110.3 45.7 -65.1 -37.6 7.2 9.7 25.6 41 43 A H H >< S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.900 112.5 52.1 -66.9 -40.5 10.3 7.8 24.3 42 44 A F H >< S+ 0 0 5 -4,-1.9 3,-1.4 1,-0.3 4,-0.2 0.902 103.7 57.3 -61.2 -40.2 8.0 4.8 23.8 43 45 A D T 3< S+ 0 0 9 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.570 112.0 43.3 -68.3 -8.4 5.5 7.0 21.9 44 46 A R T < S+ 0 0 5 -3,-1.3 1765,-0.5 -4,-0.3 -1,-0.3 0.092 76.0 106.8-125.6 22.8 8.3 7.9 19.4 45 47 A E < + 0 0 5 -3,-1.4 1763,-1.4 1763,-0.2 2,-0.3 0.782 66.0 81.2 -71.0 -27.3 10.1 4.6 18.8 46 48 A V - 0 0 9 -4,-0.2 1763,-0.2 483,-0.1 485,-0.1 -0.652 55.7-174.3 -93.4 135.4 8.6 4.3 15.3 47 49 A I - 0 0 11 -2,-0.3 482,-0.4 1761,-0.1 297,-0.1 -0.803 43.8 -79.0-114.3 162.3 9.9 6.0 12.1 48 50 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.355 49.2-124.0 -60.1 137.5 8.3 5.9 8.6 49 51 A E - 0 0 9 478,-0.4 477,-0.1 1,-0.2 5,-0.1 -0.319 40.7 -77.9 -71.6 164.8 9.0 2.7 6.7 50 52 A R - 0 0 22 4,-0.2 4,-0.3 1,-0.1 -1,-0.2 -0.362 34.1-130.6 -58.9 144.6 10.6 2.8 3.3 51 53 A R S S+ 0 0 31 1,-0.1 2,-0.3 472,-0.1 -1,-0.1 0.783 95.7 21.3 -67.9 -26.2 8.2 3.8 0.5 52 54 A X S S+ 0 0 24 1,-0.1 43,-0.1 2,-0.0 -1,-0.1 -0.971 127.9 19.9-140.9 147.0 9.4 0.7 -1.5 53 55 A H + 0 0 35 41,-1.9 41,-0.1 -2,-0.3 42,-0.1 0.828 69.8 156.3 62.3 35.8 11.2 -2.5 -0.2 54 56 A A + 0 0 1 40,-0.5 2,-0.6 42,-0.5 -4,-0.2 0.831 53.5 70.9 -61.6 -36.6 9.9 -1.9 3.4 55 57 A K S S+ 0 0 5 41,-0.7 38,-2.0 46,-0.1 2,-0.3 -0.749 73.7 146.7 -88.1 119.5 10.2 -5.6 4.3 56 58 A G E -G 92 0E 1 -2,-0.6 2,-0.3 36,-0.2 36,-0.3 -0.976 39.6-155.6-154.6 165.2 13.9 -6.6 4.6 57 59 A S E -G 91 0E 1 34,-2.3 34,-4.4 -2,-0.3 2,-0.3 -0.981 22.6-170.9-140.4 148.2 16.7 -8.6 6.1 58 60 A A E -G 90 0E 5 -2,-0.3 2,-0.3 32,-0.3 32,-0.2 -0.938 10.6-177.0-144.2 157.8 20.4 -7.7 6.1 59 61 A A E -G 89 0E 0 30,-2.1 30,-2.7 -2,-0.3 2,-0.3 -0.986 24.5-119.8-151.7 156.9 23.9 -9.0 6.9 60 62 A Y E +GH 88 298E 21 238,-3.2 238,-1.9 -2,-0.3 237,-1.5 -0.693 42.2 150.5 -92.0 152.6 27.5 -7.8 7.0 61 63 A G E -GH 87 296E 3 26,-3.1 26,-3.1 -2,-0.3 2,-0.4 -0.872 38.0 -97.1-161.2-165.2 30.2 -9.5 4.9 62 64 A T E -GH 86 295E 33 233,-2.1 233,-2.2 -2,-0.3 2,-0.4 -0.997 18.8-154.5-135.8 132.4 33.5 -9.3 3.0 63 65 A F E -GH 85 294E 0 22,-3.0 22,-2.5 -2,-0.4 2,-0.4 -0.890 13.0-164.7-104.4 139.0 34.2 -8.9 -0.7 64 66 A T E -GH 84 293E 12 229,-3.4 229,-2.0 -2,-0.4 2,-0.4 -0.982 16.4-132.4-128.2 130.3 37.4 -10.2 -2.3 65 67 A V E + H 0 292E 1 18,-2.2 17,-2.5 -2,-0.4 227,-0.3 -0.651 29.1 166.6 -78.1 133.7 38.9 -9.4 -5.6 66 68 A T + 0 0 49 225,-2.5 2,-0.3 -2,-0.4 226,-0.2 0.528 61.4 39.7-121.2 -17.6 40.0 -12.4 -7.6 67 69 A H S S- 0 0 84 224,-2.2 2,-0.6 13,-0.1 -1,-0.2 -0.897 81.7-109.1-131.1 164.2 40.6 -11.0 -11.1 68 70 A D + 0 0 100 -2,-0.3 11,-0.1 1,-0.1 10,-0.0 -0.836 40.2 155.4 -99.0 119.9 42.2 -7.8 -12.5 69 71 A I >> + 0 0 2 -2,-0.6 3,-2.4 9,-0.4 4,-1.4 0.106 36.9 117.7-125.8 18.8 39.8 -5.2 -14.1 70 72 A T T 34 + 0 0 54 1,-0.3 133,-0.5 8,-0.2 -1,-0.1 0.706 64.5 71.4 -56.6 -24.6 42.0 -2.2 -13.6 71 73 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 131,-0.2 0.708 111.2 33.0 -62.9 -13.9 42.3 -1.7 -17.4 72 74 A Y T <4 S+ 0 0 73 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.688 125.8 28.1-109.2 -29.0 38.6 -0.7 -17.0 73 75 A T < - 0 0 1 -4,-1.4 129,-0.3 127,-0.2 -1,-0.3 -0.998 45.7-158.0-144.5 139.6 38.4 1.1 -13.6 74 76 A R + 0 0 74 127,-2.5 246,-0.1 -2,-0.4 128,-0.1 0.316 51.1 139.5 -90.7 5.6 40.6 3.0 -11.3 75 77 A A > - 0 0 1 126,-0.2 3,-1.6 245,-0.2 4,-0.4 -0.280 54.8-138.6 -57.5 128.1 38.3 2.2 -8.3 76 78 A K G > S+ 0 0 85 243,-0.3 3,-0.9 1,-0.3 4,-0.3 0.765 99.1 68.3 -59.5 -27.6 40.4 1.3 -5.2 77 79 A I G 3 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.806 111.6 33.2 -63.5 -26.4 38.0 -1.6 -4.4 78 80 A F G < S+ 0 0 1 -3,-1.6 -9,-0.4 1,-0.1 -8,-0.2 0.366 86.8 108.8-105.3 3.1 39.4 -3.4 -7.5 79 81 A S S < S+ 0 0 44 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.1 0.632 81.9 26.9 -66.7 -15.0 43.0 -2.1 -7.4 80 82 A Q S > S- 0 0 131 -4,-0.3 3,-1.6 -3,-0.2 2,-0.3 -0.999 79.7-112.5-148.5 140.2 44.6 -5.3 -6.4 81 83 A V T 3 S+ 0 0 88 -2,-0.3 -15,-0.2 1,-0.2 3,-0.1 -0.545 107.4 25.2 -69.1 133.8 43.9 -9.0 -6.6 82 84 A G T 3 S+ 0 0 43 -17,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.290 87.2 147.5 94.8 -8.6 43.2 -10.5 -3.2 83 85 A K < - 0 0 32 -3,-1.6 -18,-2.2 -19,-0.1 2,-0.4 -0.421 35.2-150.5 -66.2 131.0 42.0 -7.1 -1.9 84 86 A K E -G 64 0E 138 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.847 12.8-173.3-107.0 139.1 39.3 -7.4 0.7 85 87 A T E -G 63 0E 12 -22,-2.5 -22,-3.0 -2,-0.4 2,-0.2 -0.989 25.6-120.1-129.9 136.3 36.5 -4.8 1.3 86 88 A D E -GI 62 115E 63 29,-0.5 29,-2.6 -2,-0.4 2,-0.3 -0.511 39.2-176.1 -70.2 141.6 33.9 -4.8 4.1 87 89 A M E -GI 61 114E 2 -26,-3.1 -26,-3.1 27,-0.2 2,-0.3 -0.931 23.6-156.5-141.2 168.0 30.4 -4.8 3.0 88 90 A F E -GI 60 113E 0 25,-2.1 25,-3.1 -2,-0.3 2,-0.4 -0.995 13.3-167.9-143.7 135.4 26.8 -4.7 4.1 89 91 A L E -GI 59 112E 0 -30,-2.7 -30,-2.1 -2,-0.3 2,-0.5 -0.988 7.7-164.5-135.0 127.8 23.8 -6.1 2.2 90 92 A R E -GI 58 111E 8 21,-2.7 21,-2.4 -2,-0.4 -32,-0.3 -0.962 10.0-163.7-112.7 124.0 20.0 -5.6 2.7 91 93 A F E +GI 57 110E 0 -34,-4.4 -34,-2.3 -2,-0.5 2,-0.3 -0.696 20.1 159.7 -98.0 158.1 17.7 -8.0 1.0 92 94 A S E -GI 56 109E 3 17,-1.3 17,-2.2 -2,-0.3 -36,-0.2 -0.985 40.0-117.8-162.8 167.7 14.0 -7.2 0.6 93 95 A T - 0 0 0 -38,-2.0 15,-0.1 -2,-0.3 16,-0.1 -0.390 29.8-138.5 -95.6-168.4 10.6 -7.7 -1.1 94 96 A V S S+ 0 0 14 13,-0.2 -41,-1.9 -2,-0.2 -40,-0.5 0.758 84.2 34.8-119.1 -54.9 9.1 -4.8 -2.9 95 97 A A S S+ 0 0 6 12,-0.2 53,-0.1 -43,-0.1 11,-0.0 0.807 93.2 96.5 -81.2 -32.9 5.3 -4.3 -2.3 96 98 A G - 0 0 0 5,-0.1 -41,-0.7 -41,-0.1 -42,-0.5 -0.212 66.5-129.7 -65.6 147.9 5.0 -5.5 1.3 97 99 A E > - 0 0 4 -43,-0.2 3,-2.3 -44,-0.1 -1,-0.1 -0.284 48.2 -73.7 -82.7 178.4 4.8 -3.3 4.4 98 100 A R T 3 S+ 0 0 47 1,-0.3 -42,-0.2 -48,-0.1 -2,-0.1 0.704 133.5 35.0 -47.2 -33.5 7.0 -3.8 7.5 99 101 A G T 3 S+ 0 0 1 481,-0.1 482,-0.3 -44,-0.1 -1,-0.3 0.394 90.9 124.5-104.2 3.2 5.0 -6.8 8.7 100 102 A A S < S- 0 0 3 -3,-2.3 480,-0.1 1,-0.1 2,-0.1 -0.017 71.9 -79.8 -66.8 166.6 4.1 -8.4 5.3 101 103 A A - 0 0 1 478,-0.3 3,-0.5 1,-0.1 136,-0.2 -0.415 28.6-148.8 -69.1 138.3 4.9 -12.0 4.4 102 104 A D S S+ 0 0 0 134,-1.5 2,-0.9 1,-0.2 -1,-0.1 0.850 90.4 62.5 -70.4 -36.4 8.5 -12.8 3.2 103 105 A A S S+ 0 0 3 132,-0.3 -1,-0.2 125,-0.1 2,-0.2 -0.249 74.9 129.9 -91.8 48.4 7.5 -15.5 0.8 104 106 A E - 0 0 19 -2,-0.9 2,-1.0 -3,-0.5 -8,-0.0 -0.613 68.0 -99.2 -94.1 159.7 5.3 -13.5 -1.6 105 107 A R S S+ 0 0 49 -2,-0.2 2,-0.3 78,-0.1 78,-0.2 -0.715 78.9 89.2 -80.7 103.7 5.7 -13.5 -5.4 106 108 A D S S- 0 0 17 76,-1.0 -2,-0.0 -2,-1.0 0, 0.0 -0.953 79.3 -52.9-169.6 179.0 7.7 -10.4 -6.4 107 109 A I - 0 0 4 -2,-0.3 2,-0.5 76,-0.1 -13,-0.2 -0.204 47.2-135.5 -50.7 143.4 11.1 -9.0 -7.0 108 110 A R - 0 0 2 -15,-0.1 19,-1.9 -14,-0.1 -15,-0.2 -0.949 17.8-128.8-101.6 131.4 13.8 -9.4 -4.3 109 111 A G E -IJ 92 126E 3 -17,-2.2 -17,-1.3 -2,-0.5 17,-0.3 -0.543 19.0-169.0 -74.2 148.5 15.8 -6.4 -3.5 110 112 A F E +IJ 91 125E 0 15,-3.7 15,-1.9 -19,-0.2 2,-0.7 -0.662 13.4 175.7-142.4 73.1 19.6 -6.9 -3.5 111 113 A S E -IJ 90 124E 13 -21,-2.4 -21,-2.7 13,-0.3 2,-0.4 -0.768 6.3-172.1 -99.2 114.5 21.1 -3.8 -2.0 112 114 A M E -IJ 89 123E 0 11,-3.0 11,-2.9 -2,-0.7 2,-0.5 -0.843 12.1-167.9-109.1 137.5 24.9 -3.8 -1.5 113 115 A R E -IJ 88 122E 2 -25,-3.1 -25,-2.1 -2,-0.4 2,-0.5 -0.989 5.1-164.1-119.4 127.4 27.2 -1.3 0.3 114 116 A F E -IJ 87 121E 0 7,-3.2 7,-2.9 -2,-0.5 2,-1.7 -0.952 13.7-146.1-108.6 121.6 31.0 -1.5 -0.1 115 117 A Y E +IJ 86 120E 26 -29,-2.6 -29,-0.5 -2,-0.5 5,-0.2 -0.601 34.5 176.4 -85.4 81.0 33.0 0.4 2.5 116 118 A T E > - 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0 0 52 -3,-1.3 -192,-0.1 -1824,-0.1 -1825,-0.0 -0.323 47.1-132.5 -66.9 147.8 13.6 6.8 47.2 1839 400 D E - 0 0 84 1,-0.1 3,-0.1 -79,-0.0 -1,-0.1 -0.734 22.9-104.6 -95.7 152.4 12.0 10.0 48.5 1840 401 D P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -194,-0.0 -0.384 49.8 -92.2 -65.5 152.4 9.7 10.2 51.6 1841 402 D P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 -953,-0.2 -0.210 33.2-124.8 -63.0 158.1 6.0 10.6 50.8 1842 403 D L B -E 887 0C 23 -955,-2.0 -955,-3.5 -3,-0.1 2,-0.1 -0.953 25.2-123.4-106.6 121.0 4.4 14.0 50.6 1843 404 D S - 0 0 105 -2,-0.6 2,-0.3 -957,-0.2 -957,-0.1 -0.370 30.3-161.9 -61.0 136.9 1.4 14.5 52.9 1844 405 D L - 0 0 32 -2,-0.1 2,-0.3 -858,-0.1 -959,-0.2 -0.822 11.7-176.5-115.3 160.6 -1.7 15.5 51.0 1845 406 D E + 0 0 170 -863,-0.6 -860,-0.4 -2,-0.3 -859,-0.1 -0.941 45.9 31.2-157.2 136.6 -4.9 17.1 52.3 1846 407 D G S S- 0 0 34 -2,-0.3 -1,-0.1 -863,-0.2 3,-0.0 -0.088 82.8 -67.1 102.3 160.1 -8.0 18.0 50.4 1847 408 D A - 0 0 19 -965,-0.1 -864,-1.5 -865,-0.1 2,-0.5 -0.248 53.3 -91.2 -80.2 166.8 -9.9 16.5 47.5 1848 409 D A E S+UV 881 982T 6 -967,-3.3 -967,-1.9 -866,-0.2 2,-0.3 -0.700 74.2 112.6 -77.8 123.9 -8.9 16.4 43.8 1849 410 D D E S- V 0 981T 44 -868,-1.6 -868,-2.4 -2,-0.5 2,-1.0 -0.979 76.7 -75.2-172.1 170.0 -10.2 19.4 42.1 1850 411 D H E - V 0 980T 41 -2,-0.3 2,-0.5 -870,-0.3 -870,-0.2 -0.829 54.4-157.7 -77.5 102.5 -9.5 22.7 40.3 1851 412 D W - 0 0 75 -2,-1.0 2,-0.5 -872,-0.8 -872,-0.1 -0.781 13.9-125.6 -92.9 125.3 -8.7 24.8 43.4 1852 413 D N > - 0 0 79 -2,-0.5 3,-1.1 1,-0.2 4,-0.1 -0.532 15.3-162.8 -72.4 118.2 -9.0 28.6 43.0 1853 414 D H G > S+ 0 0 25 -2,-0.5 3,-1.9 1,-0.2 -1,-0.2 0.599 77.3 84.4 -78.0 -9.4 -5.8 30.2 43.9 1854 415 D R G 3 + 0 0 77 1,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.448 62.5 87.4 -76.9 0.4 -7.5 33.6 44.3 1855 416 D V G < S+ 0 0 128 -3,-1.1 2,-0.8 1,-0.1 -1,-0.3 0.711 76.8 78.4 -63.0 -22.3 -8.5 32.6 47.8 1856 417 D D < + 0 0 32 -3,-1.9 -1,-0.1 1,-0.1 -3,-0.0 -0.856 64.4 177.6 -86.1 110.4 -5.0 34.2 48.3 1857 418 D D + 0 0 126 -2,-0.8 2,-1.8 1,-0.1 3,-0.2 0.538 45.2 108.1 -89.1 -15.0 -5.9 37.9 48.2 1858 419 D D + 0 0 53 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.458 26.2 130.1 -81.4 81.6 -2.4 39.1 48.9 1859 420 D Y S S+ 0 0 20 -2,-1.8 -246,-0.2 2,-0.1 -1,-0.2 0.625 71.0 46.6 -96.0 -15.7 -1.2 40.5 45.6 1860 421 D Y S > S+ 0 0 41 -3,-0.2 4,-2.1 2,-0.1 5,-0.1 0.708 85.5 75.2-111.0 -27.8 0.0 43.8 46.9 1861 422 D S H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 100.4 43.1 -67.1 -43.2 2.2 43.6 50.0 1862 423 D Q H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 114.9 48.6 -71.8 -41.6 5.4 42.3 48.4 1863 424 D P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.872 111.5 54.3 -58.8 -33.2 5.3 44.7 45.4 1864 425 D A H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 106.0 49.6 -66.1 -45.0 4.6 47.4 48.0 1865 426 D A H X S+ 0 0 60 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.866 113.2 47.6 -60.2 -39.4 7.8 46.4 50.0 1866 427 D L H >X S+ 0 0 36 -4,-1.9 4,-0.7 2,-0.2 3,-0.6 0.913 109.6 52.1 -68.6 -44.4 9.8 46.5 46.8 1867 428 D F H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.893 109.0 51.2 -55.5 -42.7 8.3 49.9 45.8 1868 429 D H H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.671 101.0 62.0 -73.5 -18.2 9.3 51.3 49.2 1869 430 D L H << S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.701 87.1 97.7 -74.6 -22.1 12.8 50.1 48.8 1870 431 D F S << S- 0 0 24 -3,-0.9 2,-0.1 -4,-0.7 -3,-0.0 -0.418 77.4-122.4 -72.5 140.9 13.2 52.3 45.8 1871 432 D T > - 0 0 62 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.332 34.3-102.3 -66.8 162.9 14.9 55.7 46.0 1872 433 D D H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.834 126.0 49.5 -56.9 -34.3 12.8 58.7 44.9 1873 434 D E H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 108.8 52.4 -71.8 -40.5 14.7 58.8 41.6 1874 435 D Q H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.891 106.6 54.3 -59.7 -42.0 14.2 55.1 41.2 1875 436 D K H X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.853 107.0 50.2 -61.7 -39.0 10.5 55.7 41.6 1876 437 D Q H X S+ 0 0 125 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.905 110.3 49.2 -68.6 -42.6 10.4 58.3 38.9 1877 438 D R H X S+ 0 0 90 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.883 109.2 54.0 -63.3 -37.4 12.2 56.0 36.5 1878 439 D L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 112.0 43.5 -59.3 -49.6 9.7 53.3 37.4 1879 440 D F H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 114.9 49.8 -61.8 -45.8 6.8 55.6 36.5 1880 441 D A H X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.904 110.7 49.3 -62.4 -42.8 8.5 56.8 33.4 1881 442 D N H X S+ 0 0 17 -4,-2.9 4,-1.5 -262,-0.3 -1,-0.2 0.905 113.5 46.0 -64.9 -42.4 9.2 53.3 32.2 1882 443 D I H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.917 112.3 50.9 -65.3 -43.8 5.7 52.1 32.7 1883 444 D A H < S+ 0 0 4 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.849 108.4 51.8 -65.5 -35.4 4.2 55.2 31.1 1884 445 D E H < S+ 0 0 86 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.864 114.4 43.8 -68.8 -35.0 6.4 54.7 28.0 1885 446 D D H < S+ 0 0 51 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.844 118.9 40.0 -78.5 -36.7 5.2 51.1 27.7 1886 447 D I S >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.264 86.2 115.6 -97.3 13.9 1.5 51.6 28.3 1887 448 D R T 3 S+ 0 0 152 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.790 78.9 33.8 -55.9 -44.3 1.6 54.8 26.2 1888 449 D D T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 -4,-0.2 -289,-0.1 0.216 91.2 118.5-103.8 14.1 -0.7 53.8 23.4 1889 450 D V S < S- 0 0 5 -3,-1.6 -3,-0.0 1,-0.1 5,-0.0 -0.570 77.6 -92.2 -79.8 141.0 -3.0 51.6 25.4 1890 451 D P > - 0 0 60 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.246 32.8-120.9 -49.5 139.2 -6.7 52.6 25.6 1891 452 D E H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.818 110.8 59.8 -54.3 -36.3 -7.5 54.8 28.6 1892 453 D Q H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 110.3 39.2 -62.4 -51.1 -9.9 52.3 29.9 1893 454 D I H > S+ 0 0 9 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.887 114.7 55.6 -64.1 -42.0 -7.3 49.5 30.3 1894 455 D Q H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 108.8 46.8 -55.2 -45.4 -4.7 52.1 31.5 1895 456 D R H X S+ 0 0 83 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.844 109.1 53.3 -70.9 -35.4 -7.0 53.2 34.3 1896 457 D R H X S+ 0 0 126 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.899 111.5 47.1 -65.1 -39.7 -7.9 49.7 35.4 1897 458 D Q H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.866 108.9 53.8 -66.3 -40.3 -4.1 49.0 35.6 1898 459 D I H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.895 103.4 58.0 -60.1 -40.4 -3.6 52.2 37.6 1899 460 D G H X S+ 0 0 28 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.851 105.6 49.5 -55.3 -38.5 -6.2 50.9 40.0 1900 461 D L H X S+ 0 0 18 -4,-1.0 4,-0.6 -3,-0.2 -1,-0.2 0.882 109.4 51.3 -69.4 -39.2 -4.1 47.9 40.5 1901 462 D F H >X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 3,-0.7 0.847 104.4 58.0 -65.4 -35.5 -1.0 50.1 41.2 1902 463 D L H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 101.3 55.3 -63.1 -36.0 -3.0 52.1 43.7 1903 464 D K H 3< S+ 0 0 137 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.658 107.5 50.3 -74.3 -16.0 -3.7 49.0 45.8 1904 465 D V H << S- 0 0 11 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.919 139.8 -28.2 -77.6 -54.0 0.1 48.4 45.9 1905 466 D D >X - 0 0 29 -4,-2.4 4,-1.9 1,-0.1 3,-0.7 -0.922 50.0-129.2-160.9 137.8 0.6 52.0 47.1 1906 467 D P H 3> S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.880 113.5 51.8 -52.1 -39.5 -1.3 55.3 46.6 1907 468 D A H 3> S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.769 106.3 55.5 -71.6 -26.1 2.0 56.9 45.5 1908 469 D Y H <> S+ 0 0 0 -3,-0.7 4,-1.9 -7,-0.3 -6,-0.2 0.970 111.9 39.7 -70.9 -56.4 2.6 54.2 42.9 1909 470 D G H X S+ 0 0 0 -4,-1.9 4,-2.2 -8,-0.5 -2,-0.2 0.880 117.6 50.3 -61.8 -39.7 -0.7 54.5 41.1 1910 471 D K H X S+ 0 0 104 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.934 108.7 52.6 -62.3 -45.7 -0.5 58.3 41.3 1911 472 D G H X S+ 0 0 9 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.846 111.1 46.0 -59.4 -38.4 3.0 58.3 40.0 1912 473 D V H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.921 112.3 50.8 -71.6 -45.0 2.0 56.3 36.9 1913 474 D A H X>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-1.1 0.848 109.5 50.8 -61.3 -36.4 -1.0 58.4 36.3 1914 475 D D H <5S+ 0 0 90 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.917 107.9 52.3 -67.6 -41.7 1.0 61.6 36.4 1915 476 D A H <5S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.759 114.7 43.2 -65.5 -25.2 3.6 60.2 34.0 1916 477 D L H <5S- 0 0 41 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.636 112.1-120.9 -91.9 -17.3 0.7 59.5 31.6 1917 478 D G T <5 + 0 0 65 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.708 62.7 145.3 80.9 21.5 -1.1 62.8 32.2 1918 479 D L < - 0 0 27 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.723 43.8-136.1 -93.3 143.3 -4.2 61.1 33.5 1919 480 D K - 0 0 174 -2,-0.3 2,-0.5 -3,-0.1 -5,-0.0 -0.841 10.6-146.8-103.4 128.6 -6.2 62.7 36.3 1920 481 D L 0 0 62 -2,-0.5 -10,-0.0 -10,-0.1 -25,-0.0 -0.820 360.0 360.0 -94.8 129.3 -7.5 60.5 39.1 1921 482 D D 0 0 202 -2,-0.5 -1,-0.0 0, 0.0 0, 0.0 -0.298 360.0 360.0 -95.8 360.0 -10.9 61.5 40.6