==== 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 OXIDOREDUCTASE 18-AUG-05 2AQM . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA ABORTUS; . AUTHOR M.DIDONATO,C.J.KASSMANN,C.K.BRUNS,D.E.CABELLI,Z.CAO,L.B.TABA . 154 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 63.6 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 . 55 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 14 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 . 2 1 2 1 0 2 1 0 1 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 . 2 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 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 1 A E 0 0 117 0, 0.0 25,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.6 5.0 21.5 43.8 2 2 A S E -A 25 0A 61 23,-0.2 2,-0.3 115,-0.0 23,-0.2 -0.963 360.0-170.6-147.9 163.3 6.7 18.9 41.6 3 3 A T E -A 24 0A 40 21,-1.9 21,-2.9 -2,-0.3 2,-0.5 -0.977 18.5-131.8-152.1 157.8 6.1 16.7 38.4 4 4 A T E -A 23 0A 85 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.967 16.9-160.5-115.9 129.5 7.8 13.9 36.6 5 5 A V E -A 22 0A 3 17,-3.0 17,-2.0 -2,-0.5 2,-0.4 -0.931 11.1-142.3-110.5 123.9 8.4 14.0 32.9 6 6 A K E -A 21 0A 115 -2,-0.5 2,-0.5 146,-0.2 146,-0.3 -0.717 19.4-147.3 -82.6 130.5 9.0 10.8 30.9 7 7 A M E -A 20 0A 0 13,-3.0 12,-2.7 -2,-0.4 13,-1.2 -0.887 13.9-170.3-107.1 131.3 11.6 11.4 28.2 8 8 A Y E -AB 18 150A 82 142,-2.4 142,-2.2 -2,-0.5 10,-0.2 -0.930 32.8-100.1-121.0 142.9 11.5 9.5 24.8 9 9 A E E - B 0 149A 50 8,-2.7 7,-2.9 -2,-0.4 2,-0.7 -0.341 38.3-126.8 -58.3 135.0 14.1 9.4 22.0 10 10 A A E +A 15 0A 13 138,-2.6 -1,-0.1 5,-0.2 46,-0.1 -0.807 38.7 172.6 -90.8 115.2 13.0 11.8 19.2 11 11 A L E > -A 14 0A 46 3,-2.1 3,-2.1 -2,-0.7 56,-0.4 -0.708 51.8-103.0-113.9 168.7 13.0 9.9 15.9 12 12 A P T 3 S+ 0 0 93 0, 0.0 53,-0.1 0, 0.0 -1,-0.0 0.781 128.0 51.5 -56.5 -25.8 11.8 10.7 12.4 13 13 A T T 3 S- 0 0 123 1,-0.4 43,-0.0 43,-0.1 -3,-0.0 0.170 120.9-110.5 -94.6 8.5 8.8 8.6 13.4 14 14 A G E < S+A 11 0A 4 -3,-2.1 -3,-2.1 42,-0.0 -1,-0.4 -0.647 78.3 16.0 94.8-154.2 8.1 10.5 16.6 15 15 A P E +A 10 0A 86 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.385 67.4 172.1 -65.2 130.4 8.7 9.3 20.1 16 16 A G E - 0 0 26 -7,-2.9 3,-0.1 1,-0.4 -6,-0.1 0.175 45.3 -6.7-107.0-136.4 10.8 6.2 20.4 17 17 A K E S- 0 0 107 -9,-0.1 -8,-2.7 1,-0.1 2,-0.4 -0.250 73.3-105.4 -62.0 147.8 12.2 4.3 23.4 18 18 A E E +A 8 0A 82 -10,-0.2 -10,-0.3 1,-0.1 -1,-0.1 -0.613 38.0 178.9 -68.6 124.3 12.0 5.8 26.9 19 19 A V E - 0 0 2 -12,-2.7 19,-2.3 -2,-0.4 2,-0.3 0.505 51.7 -63.7-111.7 -3.8 15.4 7.1 27.8 20 20 A G E -AC 7 37A 12 -13,-1.2 -13,-3.0 17,-0.2 2,-0.3 -0.988 48.9 -82.3 157.3-162.8 14.7 8.5 31.2 21 21 A T E -AC 6 36A 38 15,-2.3 15,-2.5 -2,-0.3 2,-0.4 -0.945 13.5-153.3-138.4 156.1 12.9 10.9 33.5 22 22 A V E -AC 5 35A 0 -17,-2.0 -17,-3.0 -2,-0.3 2,-0.6 -0.990 8.9-158.0-129.3 125.6 13.1 14.4 34.8 23 23 A V E -AC 4 34A 37 11,-2.4 11,-3.0 -2,-0.4 2,-0.5 -0.906 11.3-160.5 -98.4 121.7 11.6 15.4 38.2 24 24 A I E +AC 3 33A 0 -21,-2.9 -21,-1.9 -2,-0.6 2,-0.3 -0.907 19.6 167.9-101.3 126.9 10.9 19.1 38.2 25 25 A S E -AC 2 32A 38 7,-2.3 7,-2.9 -2,-0.5 2,-0.2 -0.979 35.5-110.7-142.9 150.7 10.6 20.6 41.7 26 26 A E + 0 0 50 -25,-1.5 5,-0.1 -2,-0.3 90,-0.1 -0.582 41.8 163.6 -79.9 141.9 10.5 24.0 43.4 27 27 A A > - 0 0 29 -2,-0.2 3,-2.0 88,-0.2 -2,-0.0 -0.984 50.2 -96.1-154.9 159.1 13.4 25.0 45.6 28 28 A P T 3 S+ 0 0 146 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.889 120.1 45.3 -55.1 -39.9 14.9 28.2 47.2 29 29 A G T 3 S- 0 0 47 1,-0.3 2,-0.2 -3,-0.0 -3,-0.0 0.455 127.0 -73.2 -89.3 16.1 17.4 28.8 44.5 30 30 A G S < S- 0 0 6 -3,-2.0 -1,-0.3 85,-0.1 85,-0.2 -0.500 78.8 -28.4 117.6 172.4 15.1 28.2 41.5 31 31 A L E - D 0 111A 0 83,-2.2 80,-2.4 80,-0.9 2,-0.4 -0.239 57.2-143.5 -61.6 136.3 13.5 25.1 39.9 32 32 A H E -CD 25 110A 69 -7,-2.9 -7,-2.3 78,-0.2 2,-0.5 -0.841 8.6-162.5 -99.4 139.6 15.4 21.9 40.2 33 33 A F E -CD 24 109A 0 76,-2.7 76,-2.3 -2,-0.4 2,-0.8 -0.957 3.8-162.6-123.1 104.4 15.5 19.4 37.4 34 34 A K E -CD 23 108A 113 -11,-3.0 -11,-2.4 -2,-0.5 2,-0.5 -0.847 16.7-165.6 -92.7 109.5 16.6 15.9 38.6 35 35 A V E +CD 22 107A 0 72,-3.2 72,-1.9 -2,-0.8 2,-0.4 -0.863 21.2 174.1-107.0 128.0 17.6 14.0 35.4 36 36 A N E +CD 21 106A 62 -15,-2.5 -15,-2.3 -2,-0.5 2,-0.3 -0.942 25.0 150.8-128.4 105.8 18.1 10.3 35.1 37 37 A M E -CD 20 105A 6 68,-2.1 68,-2.8 -2,-0.4 2,-0.3 -0.960 22.0-168.0-138.9 152.3 18.7 9.4 31.5 38 38 A E + 0 0 77 -19,-2.3 66,-0.2 -2,-0.3 65,-0.1 -0.826 59.4 49.1-132.3 171.0 20.6 6.7 29.5 39 39 A K S S+ 0 0 126 63,-0.4 2,-0.2 1,-0.3 65,-0.2 0.665 74.6 136.0 71.1 23.9 21.7 5.9 26.0 40 40 A L - 0 0 9 63,-2.3 -1,-0.3 -3,-0.1 3,-0.1 -0.604 63.5-103.3 -88.8 158.7 23.2 9.3 25.4 41 41 A T - 0 0 88 -2,-0.2 58,-0.2 1,-0.1 61,-0.1 -0.556 50.9 -96.0 -69.0 142.3 26.6 10.0 23.8 42 42 A P S S+ 0 0 82 0, 0.0 2,-0.2 0, 0.0 58,-0.2 -0.306 87.5 47.0 -58.3 145.9 29.2 10.8 26.4 43 43 A G E S-I 99 0B 32 56,-2.5 56,-2.6 -3,-0.1 2,-0.2 -0.667 96.9 -25.7 118.5-174.0 29.8 14.5 26.9 44 44 A Y E -I 98 0B 140 54,-0.2 2,-0.4 -2,-0.2 54,-0.2 -0.527 51.7-168.5 -78.6 143.9 27.7 17.7 27.4 45 45 A H E -I 97 0B 4 52,-2.4 52,-2.6 -2,-0.2 86,-0.3 -0.997 24.2-115.2-131.6 131.5 24.2 17.9 26.1 46 46 A G - 0 0 0 84,-2.6 82,-2.7 85,-0.4 2,-0.4 -0.329 29.8-167.7 -65.4 146.7 22.0 21.0 25.8 47 47 A F E +E 127 0A 0 47,-0.4 47,-1.5 80,-0.2 2,-0.3 -0.983 15.5 157.0-144.7 116.8 18.8 21.0 27.9 48 48 A H E -EF 126 93A 1 78,-2.1 78,-2.4 -2,-0.4 2,-0.5 -0.993 43.8-115.9-145.3 151.7 16.0 23.5 27.5 49 49 A V E -E 125 0A 0 43,-2.8 25,-3.0 -2,-0.3 76,-0.2 -0.809 38.3-153.1 -79.8 124.7 12.3 24.1 28.1 50 50 A H E -EG 124 73A 0 74,-2.5 74,-1.8 -2,-0.5 23,-0.2 -0.583 17.6-117.4-100.5 165.3 10.6 24.3 24.7 51 51 A E S S+ 0 0 77 21,-2.5 20,-0.2 19,-0.2 22,-0.1 0.652 83.8 62.1 -86.8 -17.8 7.4 26.3 24.2 52 52 A N S S- 0 0 66 18,-2.7 2,-1.9 20,-0.2 71,-0.2 -0.865 74.9-125.8-117.0 144.9 4.8 23.8 23.1 53 53 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 99,-0.1 -0.347 81.1 86.7 -83.0 61.4 3.4 20.7 24.8 54 54 A S - 0 0 41 -2,-1.9 -2,-0.2 97,-0.1 97,-0.1 -0.974 51.2-167.2-153.7 145.4 4.2 18.3 22.0 55 55 A a + 0 0 19 -2,-0.3 12,-0.4 14,-0.1 13,-0.1 0.166 49.3 131.6-113.4 14.2 7.2 16.2 21.0 56 56 A A - 0 0 39 11,-0.2 13,-2.6 10,-0.1 14,-0.4 -0.235 58.6-113.9 -63.2 154.8 5.9 15.4 17.5 57 57 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.127 36.3-176.3 -67.1 179.2 8.2 15.8 14.5 58 58 A G E -J 65 0C 25 7,-1.2 7,-3.0 10,-0.1 2,-0.4 -0.946 25.3 -98.8-163.4-178.8 7.5 18.4 11.8 59 59 A E E +J 64 0C 148 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.939 31.0 175.7-114.5 136.3 8.7 19.6 8.5 60 60 A K E > S-J 63 0C 114 3,-2.4 3,-2.2 -2,-0.4 -2,-0.0 -0.980 76.8 -10.4-138.2 126.7 11.0 22.7 7.9 61 61 A D T 3 S- 0 0 134 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.850 129.9 -58.3 54.9 34.4 12.3 23.7 4.6 62 62 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.483 113.7 117.7 71.7 6.7 11.0 20.3 3.3 63 63 A K E < -J 60 0C 149 -3,-2.2 -3,-2.4 2,-0.0 2,-0.5 -0.823 68.5-121.6-101.0 143.5 13.1 18.3 5.9 64 64 A I E -J 59 0C 92 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.739 30.7-164.6 -82.2 124.8 11.6 16.1 8.6 65 65 A V E > -J 58 0C 42 -7,-3.0 3,-1.9 -2,-0.5 -7,-1.2 -0.946 19.6-123.3-116.9 111.7 12.9 17.4 11.9 66 66 A P T 3 S- 0 0 34 0, 0.0 81,-0.4 0, 0.0 -10,-0.1 -0.269 93.0 -0.1 -53.4 133.9 12.5 15.2 15.0 67 67 A A T > S+ 0 0 1 -12,-0.4 3,-1.7 -56,-0.4 4,-0.2 0.629 83.6 141.0 60.3 22.1 10.6 16.9 17.8 68 68 A L G X + 0 0 43 -3,-1.9 3,-2.4 1,-0.3 -1,-0.1 0.833 60.3 70.8 -57.9 -34.6 10.1 20.1 15.8 69 69 A A G 3 S+ 0 0 34 -13,-2.6 -1,-0.3 1,-0.3 -14,-0.1 0.644 79.8 74.7 -65.7 -11.9 6.5 20.4 17.1 70 70 A A G < S- 0 0 0 -3,-1.7 -18,-2.7 -14,-0.4 -1,-0.3 0.637 95.4-151.0 -68.0 -13.4 7.9 21.3 20.6 71 71 A G < - 0 0 13 -3,-2.4 -1,-0.2 -20,-0.2 3,-0.1 -0.300 30.5 -38.1 76.4-164.0 8.6 24.7 19.0 72 72 A G S S- 0 0 29 1,-0.2 -21,-2.5 -22,-0.1 -20,-0.2 -0.070 84.7 -55.0 -83.2-171.3 11.5 27.0 20.1 73 73 A H B -G 50 0A 8 -23,-0.2 -23,-0.3 1,-0.1 -1,-0.2 -0.447 64.7 -95.3 -68.5 140.5 12.8 27.7 23.5 74 74 A Y + 0 0 19 -25,-3.0 18,-2.6 50,-0.2 19,-0.2 -0.386 54.7 168.4 -53.3 124.8 10.4 28.9 26.1 75 75 A D > + 0 0 17 15,-0.2 3,-2.2 16,-0.2 5,-0.1 -0.513 15.3 164.8-149.4 65.5 10.8 32.7 25.9 76 76 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.768 81.7 58.5 -61.2 -26.9 8.1 34.6 27.8 77 77 A G T 3 S- 0 0 49 12,-0.2 13,-0.1 -3,-0.1 -3,-0.0 0.455 104.5-131.9 -77.5 -4.9 10.2 37.8 27.6 78 78 A N < + 0 0 123 -3,-2.2 12,-0.1 1,-0.1 -3,-0.0 0.794 56.1 149.1 56.3 33.6 10.2 37.5 23.8 79 79 A T - 0 0 48 10,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.786 39.9-153.4 -69.7 -30.0 13.9 38.0 23.9 80 80 A H + 0 0 158 1,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.747 59.2 89.9 58.9 30.4 14.6 36.0 20.8 81 81 A H S S- 0 0 85 59,-0.0 9,-2.2 60,-0.0 2,-0.6 -0.998 72.7-121.1-153.8 158.0 18.1 35.0 21.8 82 82 A H + 0 0 0 -2,-0.3 60,-0.2 7,-0.2 54,-0.1 -0.844 38.6 151.3-104.7 115.4 19.8 32.2 23.7 83 83 A L - 0 0 68 -2,-0.6 4,-0.5 1,-0.2 3,-0.3 0.297 47.7-120.6-131.0 9.9 21.9 33.2 26.8 84 84 A G > - 0 0 2 1,-0.2 3,-0.6 2,-0.2 5,-0.4 -0.098 48.5 -49.9 79.6 179.9 21.7 30.2 29.1 85 85 A P T 3 S+ 0 0 6 0, 0.0 28,-0.4 0, 0.0 -1,-0.2 0.711 137.4 42.8 -70.1 -21.2 20.5 29.7 32.7 86 86 A E T 3 S+ 0 0 146 -3,-0.3 -2,-0.2 8,-0.1 2,-0.1 0.528 103.0 81.8-101.4 -10.4 22.4 32.7 34.0 87 87 A G S < S- 0 0 20 -3,-0.6 -4,-0.1 -4,-0.5 6,-0.1 -0.387 82.7-120.9 -87.8 173.2 21.6 35.1 31.1 88 88 A D S S+ 0 0 129 -2,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.163 81.9 93.0-110.8 37.0 18.5 37.1 30.5 89 89 A G S S+ 0 0 7 -5,-0.4 -7,-0.2 1,-0.3 -12,-0.2 0.203 87.9 5.1 -94.5-136.8 17.5 35.6 27.2 90 90 A H > - 0 0 15 -9,-2.2 3,-1.6 1,-0.2 -1,-0.3 -0.212 62.8-148.0 -51.2 122.6 15.2 32.7 26.8 91 91 A M T 3 S+ 0 0 65 1,-0.3 -16,-0.2 -3,-0.1 -1,-0.2 0.733 94.3 67.5 -68.1 -17.9 13.8 31.8 30.2 92 92 A G T 3 S+ 0 0 0 -18,-2.6 -43,-2.8 -43,-0.1 2,-0.5 0.462 70.5 118.3 -77.4 -0.5 13.6 28.2 29.2 93 93 A D B < -F 48 0A 3 -3,-1.6 -45,-0.2 -9,-0.2 -6,-0.1 -0.549 44.7-174.4 -74.1 118.2 17.4 27.9 29.0 94 94 A L - 0 0 0 -47,-1.5 -47,-0.4 -2,-0.5 17,-0.1 -0.667 33.7 -84.4-106.7 163.0 18.6 25.3 31.5 95 95 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 -0.362 55.9 -98.1 -63.0 146.9 22.1 24.3 32.5 96 96 A R - 0 0 75 36,-0.2 2,-0.3 -50,-0.1 -50,-0.2 -0.259 35.1-124.8 -64.1 152.3 23.7 21.7 30.3 97 97 A L E -I 45 0B 0 -52,-2.6 -52,-2.4 -3,-0.1 2,-0.6 -0.704 13.1-139.3 -98.7 154.1 23.7 18.0 31.2 98 98 A S E -I 44 0B 55 -2,-0.3 8,-0.4 -54,-0.2 2,-0.4 -0.945 11.3-162.6-121.5 111.3 26.7 15.8 31.5 99 99 A A E -I 43 0B 6 -56,-2.6 -56,-2.5 -2,-0.6 6,-0.2 -0.781 16.8-138.5 -92.7 137.6 26.7 12.2 30.2 100 100 A N > - 0 0 79 4,-2.4 3,-2.4 -2,-0.4 -1,-0.1 -0.106 36.9 -82.7 -85.9-176.6 29.4 9.9 31.4 101 101 A A T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.752 130.2 55.5 -62.5 -23.9 31.4 7.3 29.5 102 102 A D T 3 S- 0 0 126 2,-0.1 -63,-0.4 -61,-0.1 -1,-0.3 0.352 120.5-108.0 -88.9 4.4 28.5 4.8 29.9 103 103 A G S < S+ 0 0 4 -3,-2.4 -63,-2.3 1,-0.3 2,-0.4 0.654 74.4 137.3 82.0 14.2 26.0 7.3 28.3 104 104 A K - 0 0 99 -66,-0.2 -4,-2.4 -65,-0.2 2,-0.4 -0.795 39.9-162.2-105.5 141.0 24.2 8.1 31.6 105 105 A V E +D 37 0A 2 -68,-2.8 -68,-2.1 -2,-0.4 2,-0.2 -0.967 19.7 160.6-110.1 128.8 23.0 11.3 33.0 106 106 A S E +D 36 0A 90 -2,-0.4 2,-0.3 -8,-0.4 -70,-0.2 -0.685 34.5 98.6-149.3 90.3 22.3 11.4 36.8 107 107 A E E -D 35 0A 59 -72,-1.9 -72,-3.2 -2,-0.2 2,-0.4 -0.986 61.4-114.7-164.6 165.2 22.3 14.9 38.2 108 108 A T E -D 34 0A 66 -2,-0.3 2,-0.3 -74,-0.3 -74,-0.2 -0.949 25.8-167.4-112.5 134.2 20.2 17.8 39.3 109 109 A V E -D 33 0A 9 -76,-2.3 -76,-2.7 -2,-0.4 2,-0.4 -0.878 10.3-143.2-117.7 154.6 20.4 21.1 37.4 110 110 A V E -D 32 0A 51 -2,-0.3 -78,-0.2 -78,-0.2 -79,-0.1 -0.959 7.7-157.7-124.4 134.5 19.0 24.4 38.7 111 111 A A E > -D 31 0A 3 -80,-2.4 3,-1.7 -2,-0.4 -80,-0.9 -0.878 8.1-171.5-107.1 94.3 17.3 27.3 36.8 112 112 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.748 83.9 56.9 -63.4 -21.0 17.7 30.3 39.0 113 113 A H T 3 S+ 0 0 75 -28,-0.4 2,-0.5 -22,-0.1 -83,-0.1 0.568 95.1 73.3 -87.6 -4.1 15.4 32.4 36.7 114 114 A L < + 0 0 1 -3,-1.7 -83,-2.2 1,-0.1 -3,-0.2 -0.923 51.3 165.2-108.9 127.0 12.5 29.9 37.0 115 115 A K + 0 0 157 -2,-0.5 2,-0.4 1,-0.2 -88,-0.2 0.751 57.3 43.9-110.0 -38.4 10.6 30.0 40.4 116 116 A K > - 0 0 105 1,-0.1 3,-1.5 -90,-0.1 4,-0.4 -0.938 62.8-140.9-120.7 137.1 7.3 28.2 40.0 117 117 A L G >> S+ 0 0 1 -2,-0.4 3,-1.9 1,-0.3 4,-0.6 0.863 102.0 69.6 -55.9 -38.6 6.5 24.9 38.2 118 118 A A G >4 S+ 0 0 66 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.787 86.0 69.5 -53.3 -28.4 3.3 26.5 37.0 119 119 A E G <4 S+ 0 0 60 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.818 110.1 31.3 -57.8 -34.9 5.5 28.8 34.7 120 120 A I G X4 S+ 0 0 0 -3,-1.9 3,-0.8 -4,-0.4 -1,-0.2 0.242 83.6 125.2-117.7 15.4 6.4 25.7 32.5 121 121 A K T << S+ 0 0 75 -3,-0.7 33,-0.2 -4,-0.6 3,-0.1 -0.426 77.0 27.7 -64.7 149.7 3.3 23.5 32.7 122 122 A Q T 3 S+ 0 0 93 31,-1.9 -1,-0.2 1,-0.2 2,-0.2 0.876 106.6 99.4 56.4 40.7 2.0 22.6 29.2 123 123 A R E < - H 0 153A 77 30,-0.9 30,-2.6 -3,-0.8 2,-0.3 -0.531 68.6-115.0-126.0-162.9 5.5 23.0 27.8 124 124 A S E -EH 50 152A 0 -74,-1.8 -74,-2.5 28,-0.3 2,-0.4 -0.972 7.2-132.5-140.3 157.5 8.2 20.5 26.9 125 125 A L E -EH 49 151A 0 26,-2.8 26,-1.9 -2,-0.3 2,-0.4 -0.927 24.8-166.6-108.9 137.2 11.6 19.4 28.0 126 126 A M E -EH 48 150A 0 -78,-2.4 -78,-2.1 -2,-0.4 2,-0.4 -0.987 14.6-167.3-129.2 132.6 14.3 18.8 25.3 127 127 A V E -EH 47 149A 0 22,-2.6 21,-2.2 -2,-0.4 22,-2.1 -0.968 24.7-147.6-112.4 131.9 17.7 17.2 25.5 128 128 A H E - H 0 147A 8 -82,-2.7 19,-0.2 -2,-0.4 17,-0.1 -0.554 21.4-126.5 -99.7 163.8 19.9 17.8 22.4 129 129 A V S S+ 0 0 76 17,-2.8 16,-0.2 15,-0.4 18,-0.1 0.899 97.3 49.8 -68.1 -46.5 22.5 15.9 20.5 130 130 A G S S- 0 0 23 14,-2.9 -84,-2.6 16,-0.4 -2,-0.2 -0.173 90.4-107.3 -84.7-177.4 24.9 18.8 20.8 131 131 A G - 0 0 23 12,-0.5 -85,-0.4 -86,-0.3 2,-0.2 0.252 27.8-110.4 -87.2-147.8 26.0 20.8 23.8 132 132 A D + 0 0 8 -87,-0.1 -36,-0.2 11,-0.1 11,-0.2 -0.765 23.7 178.7-159.4 108.7 25.2 24.3 24.9 133 133 A N - 0 0 75 9,-1.5 9,-0.1 2,-0.2 3,-0.1 0.240 52.1-117.4 -92.8 12.0 27.6 27.2 25.0 134 134 A Y S S+ 0 0 55 1,-0.2 2,-0.3 8,-0.1 7,-0.1 0.767 83.7 86.7 61.2 33.8 24.9 29.6 26.3 135 135 A S S S- 0 0 38 4,-0.1 7,-2.2 -52,-0.1 -2,-0.2 -0.920 78.8-128.7-150.6 166.3 25.2 31.7 23.1 136 136 A D S S+ 0 0 63 -2,-0.3 -53,-0.1 5,-0.2 -2,-0.0 0.230 74.5 117.4-101.6 13.5 24.1 32.0 19.5 137 137 A K S S+ 0 0 165 1,-0.2 -1,-0.0 -4,-0.1 -2,-0.0 -0.996 81.8 0.2-131.5 128.6 27.7 32.3 18.4 138 138 A P S S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.997 143.1 18.7 -85.5 -1.3 29.2 30.5 16.6 139 139 A E S > S- 0 0 111 -4,-0.1 3,-0.7 1,-0.0 4,-0.2 -0.962 87.0-100.8-128.6 144.5 26.1 28.3 16.3 140 140 A P G > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 5,-0.4 -0.176 99.1 14.1 -58.2 149.7 22.5 29.2 17.0 141 141 A L G > S- 0 0 69 1,-0.3 3,-1.3 2,-0.2 -5,-0.2 0.837 132.8 -58.5 60.0 38.8 20.8 28.0 20.2 142 142 A G G < S- 0 0 5 -7,-2.2 -9,-1.5 -3,-0.7 -1,-0.3 0.513 88.0 -74.8 75.4 5.1 24.0 27.1 22.0 143 143 A G G < S+ 0 0 13 -3,-2.0 -12,-0.5 -4,-0.2 -1,-0.3 0.717 90.9 140.3 73.0 23.5 25.1 24.6 19.3 144 144 A G < + 0 0 1 -3,-1.3 -14,-2.9 -4,-0.4 -15,-0.4 0.807 30.0 174.3 -69.0 -28.1 22.6 22.1 20.6 145 145 A G + 0 0 60 -5,-0.4 -1,-0.2 -16,-0.2 -2,-0.0 -0.281 44.9 23.9 60.4-141.8 21.7 21.0 17.1 146 146 A A S S- 0 0 62 1,-0.1 -17,-2.8 -18,-0.1 2,-0.6 -0.071 82.1-108.6 -64.2 157.8 19.3 18.1 16.7 147 147 A R E + H 0 128A 39 -81,-0.4 -19,-0.2 -19,-0.2 -1,-0.1 -0.774 32.9 178.9 -90.8 120.3 16.8 17.1 19.3 148 148 A F E + 0 0 28 -21,-2.2 -138,-2.6 -2,-0.6 2,-0.3 0.867 64.7 3.5 -88.1 -47.9 17.7 13.8 21.0 149 149 A A E -BH 9 127A 0 -22,-2.1 -22,-2.6 -140,-0.3 2,-0.3 -0.990 62.3-174.6-147.6 149.9 14.9 13.3 23.5 150 150 A a E +BH 8 126A 2 -142,-2.2 -142,-2.4 -2,-0.3 2,-0.3 -0.988 6.0 178.9-145.6 148.8 11.7 15.1 24.5 151 151 A G E - H 0 125A 3 -26,-1.9 -26,-2.8 -2,-0.3 2,-0.4 -0.987 28.0-119.7-149.2 149.2 8.9 14.9 27.0 152 152 A V E - H 0 124A 42 -2,-0.3 2,-0.7 -146,-0.3 -28,-0.3 -0.707 16.4-141.9 -89.7 135.3 5.8 17.0 27.6 153 153 A I E H 0 123A 0 -30,-2.6 -31,-1.9 -2,-0.4 -30,-0.9 -0.852 360.0 360.0 -91.7 115.3 5.4 18.8 31.0 154 154 A E 0 0 144 -2,-0.7 -1,-0.2 -33,-0.2 -33,-0.1 0.758 360.0 360.0 -81.4 360.0 1.7 18.5 31.7