==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUN-09 3HZZ . COMPND 2 MOLECULE: CROTONYL COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COLLINUS; . AUTHOR J.N.SCARSDALE,F.N.MUSAYEV,H.T.WRIGHT . 1787 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1244 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 11.3 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 115 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 225 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 418 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.4 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 7 9 3 7 2 7 8 8 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 13 6 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 . 8 4 15 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 4 0 0 4 0 0 0 0 2 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 2 A T > 0 0 93 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.1 37.3 48.2 78.4 2 3 A V H > + 0 0 36 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.843 360.0 57.7 -63.9 -36.7 36.9 46.9 81.9 3 4 A K H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.845 99.5 55.8 -68.3 -36.2 40.7 46.4 81.9 4 5 A D H > S+ 0 0 93 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.927 105.4 52.7 -60.5 -47.0 41.3 50.1 81.1 5 6 A I H X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.937 111.9 46.1 -50.3 -49.9 39.3 51.0 84.2 6 7 A L H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.872 109.6 54.6 -64.3 -39.2 41.5 48.6 86.2 7 8 A D H X S+ 0 0 70 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.954 109.1 48.0 -55.4 -53.8 44.7 50.0 84.6 8 9 A A H < S+ 0 0 18 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.908 110.3 50.6 -53.1 -49.8 43.7 53.6 85.7 9 10 A I H < S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.1 42.7 -57.8 -39.0 43.0 52.5 89.3 10 11 A Q H < S+ 0 0 86 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.692 94.7 101.5 -81.5 -21.9 46.4 50.8 89.4 11 12 A S < - 0 0 54 -4,-1.8 3,-0.2 -3,-0.2 -3,-0.0 -0.424 63.4-150.3 -66.3 136.1 48.1 53.7 87.6 12 13 A K S S+ 0 0 93 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.988 87.8 44.2 -71.3 -65.2 50.1 56.0 90.0 13 14 A D S S+ 0 0 97 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.736 80.4 139.0 -86.0 95.6 49.8 59.3 88.1 14 15 A A - 0 0 33 -2,-1.1 2,-0.1 -3,-0.2 -6,-0.0 -0.943 38.6-143.7-146.6 119.5 46.1 59.4 87.1 15 16 A T >> - 0 0 79 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.423 24.7-118.5 -84.5 154.7 43.7 62.4 87.2 16 17 A S H 3> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.831 115.7 62.2 -50.0 -38.7 40.0 62.6 88.0 17 18 A A H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 100.5 52.4 -61.4 -35.7 39.5 63.9 84.4 18 19 A D H <4 S+ 0 0 84 -3,-0.7 4,-0.4 2,-0.2 -1,-0.2 0.928 109.2 49.6 -62.6 -46.8 40.9 60.5 83.1 19 20 A F H >< S+ 0 0 11 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.863 110.0 50.6 -60.1 -40.4 38.4 58.7 85.3 20 21 A A H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.6 49.5 -63.6 -39.8 35.5 60.8 84.0 21 22 A A T 3< S+ 0 0 87 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.409 83.9 115.5 -83.7 0.1 36.5 60.2 80.4 22 23 A L S < S- 0 0 29 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.0 -0.608 70.5-123.2 -72.6 124.2 36.7 56.4 80.9 23 24 A Q - 0 0 69 -2,-0.4 -18,-0.2 1,-0.1 -19,-0.1 -0.507 22.4-123.8 -69.9 129.1 34.1 54.6 78.8 24 25 A L - 0 0 50 -2,-0.3 -22,-0.1 1,-0.1 -1,-0.1 -0.574 32.5-110.0 -72.3 135.8 31.8 52.4 80.9 25 26 A P - 0 0 5 0, 0.0 37,-0.3 0, 0.0 3,-0.1 -0.239 15.5-120.4 -67.2 154.6 31.7 48.7 79.7 26 27 A E S S- 0 0 174 1,-0.2 36,-0.6 35,-0.1 2,-0.3 0.861 95.7 -2.0 -60.3 -37.8 28.7 47.1 77.9 27 28 A S E -A 61 0A 45 34,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.989 65.0-153.4-152.9 154.1 28.6 44.6 80.8 28 29 A Y E -A 60 0A 0 32,-2.3 32,-2.3 -2,-0.3 2,-0.2 -0.955 31.3-100.4-130.5 150.7 30.4 43.7 84.0 29 30 A R E +A 59 0A 70 -2,-0.3 151,-2.4 30,-0.2 152,-0.3 -0.485 48.9 171.5 -72.8 134.9 30.8 40.4 85.9 30 31 A A E -AB 58 179A 0 28,-2.6 28,-3.2 149,-0.2 2,-0.7 -0.997 37.7-118.9-147.1 145.6 28.5 40.2 89.0 31 32 A I E +A 57 0A 2 147,-2.8 87,-1.7 -2,-0.3 2,-0.3 -0.794 48.5 165.8 -86.6 116.5 27.4 37.7 91.6 32 33 A T E -AC 56 117A 0 24,-2.2 24,-2.4 -2,-0.7 2,-0.3 -0.758 35.0-142.2-122.5 163.8 23.6 37.3 91.3 33 34 A V E - C 0 116A 0 83,-0.9 83,-2.1 -2,-0.3 2,-0.4 -0.839 29.9-126.0-110.3 163.4 20.8 35.1 92.4 34 35 A H E > - C 0 115A 38 20,-0.3 3,-1.6 -2,-0.3 81,-0.2 -0.932 3.1-139.3-113.8 139.0 18.0 34.3 89.9 35 36 A K G > S+ 0 0 75 79,-3.1 3,-1.4 -2,-0.4 4,-0.1 0.842 101.7 63.1 -58.4 -37.4 14.2 34.9 90.5 36 37 A D G 3 S+ 0 0 136 78,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.423 102.8 51.4 -71.6 3.2 13.3 31.6 88.7 37 38 A E G X + 0 0 54 -3,-1.6 3,-2.2 1,-0.1 -1,-0.2 0.306 69.3 110.8-121.9 7.1 15.2 29.6 91.5 38 39 A T T < S+ 0 0 45 -3,-1.4 3,-0.2 1,-0.3 -2,-0.1 0.589 81.7 49.4 -65.0 -12.4 13.7 31.0 94.7 39 40 A E T > S+ 0 0 172 1,-0.1 3,-1.6 -4,-0.1 -1,-0.3 0.413 78.3 105.8-100.0 -1.8 12.0 27.8 95.5 40 41 A M T < S+ 0 0 79 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.616 72.5 59.0 -65.7 -15.5 15.1 25.5 94.9 41 42 A F T > S+ 0 0 13 -3,-0.2 3,-1.7 1,-0.2 -1,-0.3 0.007 80.0 175.6-101.7 28.5 15.6 24.9 98.7 42 43 A A T < - 0 0 90 -3,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.454 64.6 -16.9 13.1-114.6 12.2 23.3 99.0 43 44 A G T 3 S+ 0 0 81 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.421 96.4 139.4-114.1 55.6 11.6 21.9 102.6 44 45 A L < - 0 0 85 -3,-1.7 2,-0.2 -2,-0.2 -3,-0.1 -0.535 59.1-103.3 -94.4 159.6 15.2 21.8 103.8 45 46 A E >> - 0 0 136 -2,-0.2 3,-1.7 1,-0.1 4,-0.6 -0.610 39.2-113.0 -72.0 144.9 16.8 22.6 107.1 46 47 A T G >4 S+ 0 0 52 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.892 116.7 55.1 -47.4 -46.5 18.6 26.0 106.9 47 48 A R G 34 S+ 0 0 203 1,-0.3 -1,-0.3 3,-0.0 359,-0.0 0.705 102.7 56.2 -63.7 -22.9 22.0 24.3 107.4 48 49 A D G <4 S+ 0 0 96 -3,-1.7 2,-0.6 -7,-0.1 -1,-0.3 0.530 81.7 103.7 -87.0 -7.0 21.4 22.0 104.4 49 50 A K << - 0 0 24 -3,-1.7 -8,-0.1 -4,-0.6 39,-0.1 -0.686 63.8-152.3 -79.6 116.9 20.8 25.0 102.1 50 51 A D >> - 0 0 24 -2,-0.6 3,-2.1 1,-0.1 4,-0.6 -0.823 14.1-161.3-100.9 109.2 24.0 25.4 100.0 51 52 A P H >> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.757 88.4 73.3 -55.8 -24.7 24.7 28.9 98.7 52 53 A R H 34 S+ 0 0 101 1,-0.2 348,-0.1 2,-0.2 347,-0.1 0.704 95.2 50.5 -63.3 -22.9 27.1 27.3 96.2 53 54 A K H <4 S+ 0 0 139 -3,-2.1 -1,-0.2 1,-0.1 346,-0.0 0.723 116.3 37.8 -87.8 -24.7 24.0 26.0 94.2 54 55 A S H << S+ 0 0 0 -3,-0.6 2,-0.5 -4,-0.6 -20,-0.3 0.613 93.0 93.7-105.1 -16.0 22.2 29.4 94.0 55 56 A I < - 0 0 22 -4,-1.9 2,-0.3 -22,-0.1 -22,-0.2 -0.709 54.3-174.7 -84.4 122.4 25.1 31.8 93.5 56 57 A H E -A 32 0A 50 -24,-2.4 -24,-2.2 -2,-0.5 2,-0.7 -0.842 25.6-137.1-113.8 151.4 25.8 32.6 89.8 57 58 A L E -A 31 0A 65 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.920 39.8-178.9-108.3 104.4 28.6 34.7 88.2 58 59 A D E -A 30 0A 42 -28,-3.2 -28,-2.6 -2,-0.7 2,-0.6 -0.776 36.3-127.2-113.9 145.4 26.8 36.7 85.5 59 60 A E E -A 29 0A 122 -2,-0.3 -30,-0.2 -30,-0.2 -2,-0.0 -0.822 42.6-176.9 -80.8 118.2 27.6 39.3 82.9 60 61 A V E -A 28 0A 2 -32,-2.3 -32,-2.3 -2,-0.6 2,-0.1 -0.921 25.3-113.0-124.4 147.3 25.1 42.1 83.6 61 62 A P E -A 27 0A 74 0, 0.0 -34,-0.2 0, 0.0 -35,-0.1 -0.392 43.0 -94.1 -75.7 156.9 24.4 45.5 81.8 62 63 A V - 0 0 39 -36,-0.6 3,-0.1 -37,-0.3 120,-0.0 -0.500 41.6-118.2 -75.3 132.3 25.2 48.8 83.5 63 64 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.261 31.5 -97.3 -65.7 155.7 22.4 50.5 85.5 64 65 A E - 0 0 151 43,-0.1 2,-0.6 1,-0.1 46,-0.1 -0.631 39.7-126.1 -74.3 125.9 21.0 53.9 84.6 65 66 A L - 0 0 52 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.1 -0.651 33.7-178.1 -81.1 118.3 22.6 56.6 86.8 66 67 A G > - 0 0 5 -2,-0.6 3,-1.1 1,-0.2 64,-0.2 -0.354 37.1 -58.8-102.2-175.2 20.1 58.8 88.6 67 68 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 65,-0.2 -0.354 118.4 16.4 -63.9 143.6 20.4 61.9 91.0 68 69 A G T 3 S+ 0 0 26 63,-2.3 118,-3.0 1,-0.2 119,-0.5 0.494 106.5 110.8 73.7 5.3 22.4 61.5 94.2 69 70 A E E < -D 185 0B 16 -3,-1.1 61,-3.5 116,-0.3 2,-0.3 -0.641 48.8-159.1-112.1 165.4 24.1 58.4 92.9 70 71 A A E -DE 184 129B 0 114,-2.8 114,-2.4 59,-0.3 2,-0.5 -0.994 15.9-137.7-142.0 138.4 27.5 57.2 91.8 71 72 A L E -DE 183 128B 4 57,-2.3 56,-2.9 -2,-0.3 57,-1.7 -0.843 32.5-169.7 -89.1 130.8 28.8 54.3 89.7 72 73 A V E -DE 182 126B 0 110,-2.7 110,-2.7 -2,-0.5 2,-0.6 -0.972 25.9-128.3-131.5 135.6 31.9 52.9 91.3 73 74 A A E -DE 181 125B 0 52,-2.8 52,-2.2 -2,-0.4 2,-0.5 -0.760 31.7-142.0 -79.2 121.2 34.5 50.4 90.2 74 75 A V E + E 0 124B 0 106,-3.2 345,-1.8 -2,-0.6 50,-0.3 -0.784 26.5 175.1 -94.8 123.0 34.7 47.7 93.0 75 76 A M E S- 0 0 0 48,-2.4 343,-2.5 -2,-0.5 345,-1.7 0.847 70.0 -3.9 -88.9 -42.3 38.1 46.4 93.8 76 77 A A E +FE 417 123B 0 47,-1.9 47,-1.4 341,-0.3 -1,-0.3 -0.972 59.7 173.1-151.6 160.6 37.0 44.2 96.8 77 78 A S E -F 416 0B 0 339,-3.0 339,-3.1 -2,-0.3 2,-0.3 -0.831 20.0-123.8-151.4-174.7 34.0 43.3 99.0 78 79 A S E -F 415 0B 0 337,-0.3 2,-0.6 -2,-0.2 42,-0.4 -0.901 19.9-110.6-138.2 169.1 32.9 40.9 101.8 79 80 A V E -F 414 0B 5 335,-1.8 335,-0.5 -2,-0.3 2,-0.2 -0.914 35.8-173.1-102.6 121.6 30.3 38.3 102.6 80 81 A N > - 0 0 6 -2,-0.6 4,-1.5 1,-0.1 3,-0.2 -0.667 38.4-108.3-106.4 166.1 27.8 39.3 105.2 81 82 A Y H >> S+ 0 0 123 -2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.942 121.0 55.1 -57.1 -48.2 25.1 37.3 106.9 82 83 A N H 3> S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.836 105.1 54.1 -54.2 -34.3 22.4 39.2 105.0 83 84 A S H 3> S+ 0 0 4 -3,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.831 110.4 45.9 -68.2 -35.6 24.2 38.2 101.7 84 85 A V H S+ 0 0 110 -4,-2.9 5,-2.2 1,-0.2 4,-0.6 0.878 109.0 51.7 -56.9 -39.1 20.3 34.9 103.8 86 87 A T H ><5S+ 0 0 2 -4,-2.0 3,-1.1 -5,-0.2 8,-0.3 0.936 106.2 53.1 -59.7 -49.2 19.7 36.3 100.3 87 88 A S H 3<5S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 115.3 39.8 -66.5 -19.2 21.5 33.3 98.6 88 89 A I H 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.381 110.3-121.9-109.2 1.4 19.3 30.8 100.5 89 90 A F T <<5 - 0 0 16 -3,-1.1 4,-0.2 -4,-0.6 -3,-0.2 0.877 47.5-170.3 62.8 46.2 16.1 32.9 100.1 90 91 A E < - 0 0 26 -5,-2.2 -1,-0.2 2,-0.1 2,-0.2 -0.928 57.0 -5.1-122.2 148.6 15.3 33.3 103.8 91 92 A P S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.852 141.6 -19.4 -69.4 -37.0 13.0 34.2 105.5 92 93 A V S S- 0 0 111 -2,-0.2 -2,-0.1 1,-0.0 -3,-0.1 -0.876 84.1 -84.6-122.0 160.5 11.5 35.3 102.2 93 94 A S >> - 0 0 22 -2,-0.3 3,-0.9 -4,-0.2 4,-0.5 -0.298 31.3-129.7 -58.5 144.0 13.1 35.8 98.7 94 95 A T H 3> S+ 0 0 12 -8,-0.3 4,-1.8 1,-0.2 3,-0.3 0.735 102.8 70.8 -69.9 -20.9 14.7 39.3 98.2 95 96 A F H 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.771 84.5 68.7 -65.5 -27.5 12.7 39.6 94.9 96 97 A A H <> S+ 0 0 43 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.938 107.8 35.8 -59.6 -49.5 9.4 40.0 96.7 97 98 A F H X S+ 0 0 58 -4,-0.5 4,-2.7 -3,-0.3 5,-0.2 0.895 115.3 56.1 -67.2 -45.5 10.5 43.4 98.1 98 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.896 107.3 50.1 -53.2 -45.4 12.3 44.4 94.9 99 100 A E H < S+ 0 0 87 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.920 113.3 44.4 -58.8 -48.1 9.2 43.8 92.9 100 101 A R H >< S+ 0 0 168 -4,-1.4 3,-1.2 -5,-0.2 4,-0.2 0.871 112.4 52.7 -66.1 -38.7 7.0 45.9 95.1 101 102 A Y H >< S+ 0 0 25 -4,-2.7 3,-1.6 1,-0.3 4,-0.4 0.860 97.9 64.7 -66.5 -38.0 9.6 48.7 95.3 102 103 A G T 3< S+ 0 0 9 -4,-2.0 -1,-0.3 1,-0.3 7,-0.2 0.462 88.3 73.1 -66.0 -0.4 9.9 48.9 91.5 103 104 A K T < S+ 0 0 84 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.673 81.0 70.7 -89.7 -19.0 6.2 50.1 91.4 104 105 A L S < S- 0 0 111 -3,-1.6 -2,-0.1 -4,-0.2 -1,-0.1 0.932 111.1 -26.5 -63.1 -53.7 6.9 53.6 92.8 105 106 A S > - 0 0 27 -4,-0.4 4,-2.0 1,-0.0 -1,-0.2 -0.943 63.7 -92.3-154.0 170.4 8.7 55.2 89.8 106 107 A P H > S+ 0 0 113 0, 0.0 4,-0.8 0, 0.0 -1,-0.0 0.804 123.9 57.0 -58.8 -29.2 10.9 54.6 86.7 107 108 A L H 4 S+ 0 0 57 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.892 110.0 40.7 -68.5 -42.6 13.9 55.2 89.1 108 109 A T H >4 S+ 0 0 7 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.801 104.0 69.9 -75.6 -27.8 12.9 52.4 91.5 109 110 A K H >< S+ 0 0 113 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.803 81.9 74.5 -58.4 -32.0 11.9 50.2 88.6 110 111 A R T 3< S+ 0 0 39 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.820 93.5 53.2 -48.1 -37.5 15.6 49.8 87.7 111 112 A H T < S+ 0 0 5 -3,-1.5 2,-1.4 -4,-0.3 -1,-0.3 0.679 85.0 89.5 -78.5 -20.8 16.1 47.5 90.7 112 113 A D < + 0 0 30 -3,-1.4 -1,-0.1 -4,-0.4 4,-0.1 -0.654 61.3 142.8 -80.5 91.7 13.2 45.1 89.7 113 114 A L - 0 0 41 -2,-1.4 -14,-0.1 2,-0.3 -78,-0.0 -0.842 65.6-109.7-128.5 161.6 15.2 42.7 87.5 114 115 A P S S+ 0 0 86 0, 0.0 -79,-3.1 0, 0.0 -78,-0.3 0.730 106.7 43.5 -62.6 -24.2 15.2 38.9 86.9 115 116 A Y E S-C 34 0A 38 -81,-0.2 2,-0.5 -80,-0.1 -2,-0.3 -0.813 76.7-141.2-118.1 160.1 18.5 38.6 88.8 116 117 A H E -C 33 0A 0 -83,-2.1 -83,-0.9 -2,-0.3 2,-0.6 -0.926 7.5-146.0-130.5 109.9 19.7 40.2 92.0 117 118 A I E -C 32 0A 1 -2,-0.5 59,-1.0 -85,-0.2 -85,-0.2 -0.612 25.9-160.4 -71.3 115.0 23.2 41.5 92.5 118 119 A I + 0 0 3 -87,-1.7 60,-1.8 -2,-0.6 -87,-0.2 -0.448 34.8 109.4 -94.8 168.5 24.0 40.9 96.1 119 120 A G - 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0 0 15 -7,-3.2 -6,-0.2 -2,-0.1 -5,-0.1 0.701 61.5-146.5 -65.7 -26.8 25.1 52.4 125.0 222 223 A A < - 0 0 55 -5,-1.2 -6,-0.2 -9,-0.2 -5,-0.1 0.941 25.2-150.3 51.0 56.3 27.3 55.6 125.0 223 224 A M - 0 0 11 -8,-2.2 2,-0.3 -6,-0.1 -1,-0.1 -0.120 13.8-161.4 -53.4 141.9 30.3 53.7 126.6 224 225 A K > - 0 0 49 896,-0.1 3,-1.9 26,-0.0 896,-0.1 -0.929 34.9 -85.5-121.4 155.8 32.8 55.4 128.9 225 226 A Q T 3 S+ 0 0 5 -2,-0.3 26,-0.3 1,-0.2 25,-0.2 -0.312 115.9 35.2 -52.9 136.7 36.3 54.3 129.9 226 227 A G T 3 S+ 0 0 7 24,-1.6 -1,-0.2 1,-0.4 25,-0.2 0.176 85.0 137.0 99.1 -14.9 36.1 52.1 133.0 227 228 A D < - 0 0 8 -3,-1.9 25,-4.0 19,-0.1 2,-0.6 -0.400 54.7-131.8 -65.9 135.8 32.8 50.4 131.9 228 229 A N E -k 252 0D 1 83,-0.2 86,-2.0 23,-0.2 85,-1.9 -0.832 27.8-166.2 -83.4 123.0 32.5 46.7 132.3 229 230 A V E -kl 253 314D 0 23,-3.1 25,-2.6 -2,-0.6 2,-0.6 -0.869 14.0-152.9-123.6 101.8 31.2 45.4 128.9 230 231 A L E -kl 254 315D 0 84,-1.2 86,-3.5 -2,-0.5 2,-0.6 -0.583 19.4-168.5 -69.9 112.1 29.8 41.8 128.5 231 232 A I E > -kl 255 316D 0 23,-2.9 25,-2.4 -2,-0.6 3,-0.7 -0.915 8.1-153.5-112.2 108.8 30.4 40.9 124.9 232 233 A W T 3 S+ 0 0 3 84,-1.2 25,-0.1 -2,-0.6 7,-0.1 -0.485 83.0 11.3 -70.0 147.5 28.7 37.8 123.5 233 234 A G T > S+ 0 0 33 23,-0.2 3,-1.4 -2,-0.1 6,-0.5 0.855 80.3 165.0 49.6 44.1 30.5 36.1 120.5 234 235 A A T < + 0 0 0 22,-1.5 9,-0.3 -3,-0.7 23,-0.1 0.725 63.9 58.0 -64.9 -25.5 33.5 38.4 121.2 235 236 A S T 3 S+ 0 0 2 21,-0.4 2,-0.3 8,-0.1 -1,-0.3 0.517 106.6 50.9 -85.7 -4.6 35.9 36.3 119.0 236 237 A G S <> S- 0 0 13 -3,-1.4 4,-1.6 176,-0.0 3,-0.4 -0.887 102.6 -42.9-136.6 162.3 33.9 36.7 115.8 237 238 A G H > S+ 0 0 14 174,-1.4 4,-0.9 -2,-0.3 3,-0.2 0.176 124.1 11.5 28.5-103.5 32.1 39.0 113.4 238 239 A L H >> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.963 129.6 50.8 -69.8 -54.4 30.1 41.5 115.4 239 240 A G H 3> S+ 0 0 0 -6,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.702 101.7 65.3 -56.6 -22.9 31.6 40.9 118.9 240 241 A S H 3X S+ 0 0 0 -4,-1.6 4,-1.6 -7,-0.3 -1,-0.2 0.897 106.4 40.1 -71.9 -40.1 35.1 41.2 117.5 241 242 A Y H S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 -1,-0.2 0.892 116.8 42.0 -59.1 -39.7 35.5 48.5 124.3 247 248 A L H ><5S+ 0 0 47 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.905 113.8 49.4 -75.8 -43.3 39.3 48.2 124.5 248 249 A A H 3<5S+ 0 0 14 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.840 110.2 52.4 -66.1 -35.4 40.1 51.3 122.4 249 250 A G T 3<5S- 0 0 3 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.288 120.4-109.4 -84.6 7.5 37.7 53.4 124.5 250 251 A G T < 5S+ 0 0 2 -3,-1.4 -24,-1.6 1,-0.2 -3,-0.2 0.607 73.6 135.3 77.5 14.1 39.3 52.3 127.7 251 252 A A < - 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0 0 6 -345,-1.5 3,-0.0 1,-0.2 -3,-0.0 -0.380 64.4-150.1 -58.0 124.6 54.1 58.2 157.1 1317 422 C P S S- 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.673 73.8 -2.2 -74.8 -19.0 57.7 58.4 158.5 1318 423 C E S > S- 0 0 116 -28,-0.0 3,-0.5 0, 0.0 2,-0.1 -0.938 84.4 -84.5-158.2 172.5 59.2 58.4 155.0 1319 424 C E T 3 S+ 0 0 111 -2,-0.3 -6,-0.0 1,-0.2 -31,-0.0 -0.293 97.0 46.6 -78.2 169.9 58.3 58.2 151.3 1320 425 C G T 3 S+ 0 0 47 1,-0.2 3,-0.4 -2,-0.1 -1,-0.2 0.256 81.2 125.4 86.2 -9.8 57.7 54.9 149.4 1321 426 C L < + 0 0 39 -3,-0.5 -227,-1.9 1,-0.2 -1,-0.2 -0.326 42.7 47.7 -85.7 162.1 55.5 53.2 152.0 1322 427 C G + 0 0 17 1,-0.3 2,-0.5 -229,-0.2 -230,-0.2 0.500 62.7 141.8 93.3 8.2 52.0 51.7 151.7 1323 428 C V + 0 0 48 -3,-0.4 -1,-0.3 1,-0.1 -232,-0.2 -0.699 15.8 168.1 -82.3 127.7 52.2 49.5 148.6 1324 429 C R + 0 0 147 -234,-3.3 2,-0.7 -2,-0.5 -233,-0.2 0.650 68.4 57.0-107.2 -24.1 50.4 46.2 148.8 1325 430 C D > + 0 0 58 -235,-1.6 4,-1.5 1,-0.2 -1,-0.2 -0.829 53.8 166.1-114.3 91.1 50.5 45.1 145.2 1326 431 C A H > S+ 0 0 73 -2,-0.7 4,-2.4 2,-0.2 5,-0.2 0.875 74.8 61.3 -70.6 -38.6 54.1 45.0 144.0 1327 432 C E H > S+ 0 0 164 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.901 110.4 39.4 -53.0 -47.2 53.2 43.0 140.8 1328 433 C M H > S+ 0 0 37 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.800 111.5 55.8 -79.2 -33.3 51.0 45.8 139.5 1329 434 C R H >X S+ 0 0 46 -4,-1.5 4,-1.6 1,-0.2 3,-0.8 0.923 106.3 52.0 -62.1 -44.9 53.3 48.7 140.6 1330 435 C A H 3< S+ 0 0 75 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.785 107.0 55.2 -61.8 -28.1 56.2 47.2 138.7 1331 436 C Q H 3< S+ 0 0 143 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.719 122.6 23.9 -78.9 -24.2 53.9 47.0 135.6 1332 437 C H H XX S+ 0 0 45 -4,-0.9 4,-2.3 -3,-0.8 3,-0.6 0.366 85.3 113.5-121.7 1.8 53.0 50.8 135.7 1333 438 C I H 3X S+ 0 0 57 -4,-1.6 4,-2.5 1,-0.2 -3,-0.1 0.798 74.7 56.6 -48.3 -42.5 56.0 52.4 137.6 1334 439 C D H 34 S+ 0 0 135 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.940 112.7 40.6 -56.3 -50.9 57.3 54.3 134.5 1335 440 C A H X4 S+ 0 0 12 -3,-0.6 3,-1.5 1,-0.2 4,-0.2 0.889 112.7 55.6 -65.5 -41.5 53.9 56.1 134.0 1336 441 C I H 3< S+ 0 0 3 -4,-2.3 3,-0.5 1,-0.3 -51,-0.3 0.898 110.8 45.8 -56.0 -42.2 53.5 56.5 137.8 1337 442 C N T >< S+ 0 0 56 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.3 0.140 79.5 109.6 -91.9 18.7 56.8 58.3 138.0 1338 443 C R T < S+ 0 0 71 -3,-1.5 -1,-0.2 -55,-0.3 -2,-0.1 0.812 79.9 43.5 -62.7 -34.0 56.3 60.6 134.9 1339 444 C F T > S+ 0 0 3 -3,-0.5 3,-1.4 -54,-0.3 -31,-0.4 0.324 76.8 141.8-102.5 7.2 56.0 63.8 136.9 1340 445 C R T < S- 0 0 136 -3,-0.9 -54,-0.2 1,-0.3 -53,-0.2 -0.250 81.8 -14.4 -55.5 126.8 58.8 63.5 139.4 1341 446 C N T 3 0 0 107 -55,-3.1 -1,-0.3 1,-0.1 -55,-0.1 0.463 360.0 360.0 61.5 3.1 60.7 66.8 140.1 1342 447 C V < 0 0 67 -3,-1.4 -35,-0.9 -36,-0.1 -2,-0.2 0.635 360.0 360.0-105.4 360.0 59.1 68.4 137.1 1343 !* 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 1344 1 D M > 0 0 120 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.2 -3.4 85.2 82.3 1345 2 D T H > + 0 0 54 2,-0.2 4,-1.0 1,-0.1 3,-0.1 0.810 360.0 56.2 -77.7 -31.9 -1.9 81.7 82.8 1346 3 D V H >> S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.905 101.8 55.0 -66.2 -42.9 -1.3 82.4 86.5 1347 4 D K H 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.805 102.6 59.6 -57.8 -30.5 -5.0 83.2 87.2 1348 5 D D H 3X S+ 0 0 96 -4,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.830 103.9 49.0 -69.4 -35.7 -5.7 79.8 85.7 1349 6 D I H < S+ 0 0 15 -4,-1.3 3,-0.6 -3,-0.4 -2,-0.2 0.899 112.9 50.2 -61.8 -43.3 -7.8 75.3 90.2 1353 10 D I H 3< S+ 0 0 15 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 110.2 48.7 -62.2 -45.4 -6.6 76.1 93.8 1354 11 D Q H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.553 98.0 92.3 -76.4 -7.8 -9.8 77.9 94.7 1355 12 D S << - 0 0 50 -4,-0.6 -3,-0.0 -3,-0.6 -4,-0.0 -0.497 63.5-154.0 -80.7 153.7 -11.9 75.0 93.3 1356 13 D K S S+ 0 0 104 -2,-0.2 -1,-0.1 1,-0.0 -4,-0.0 0.767 93.8 54.9 -89.8 -35.8 -13.1 72.1 95.4 1357 14 D D S S+ 0 0 86 2,-0.0 -5,-0.1 0, 0.0 -1,-0.0 0.935 74.2 120.2 -61.1 -52.3 -13.3 69.7 92.4 1358 15 D A - 0 0 24 -6,-0.2 2,-0.1 1,-0.1 -6,-0.0 0.242 49.4-153.1 -34.3 116.1 -9.7 70.1 91.1 1359 16 D T > - 0 0 71 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.317 29.4-109.9 -82.0 167.9 -7.8 66.7 91.1 1360 17 D S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.805 123.0 59.6 -65.1 -31.6 -4.1 66.1 91.4 1361 18 D A H > S+ 0 0 72 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.857 103.9 50.9 -61.9 -37.1 -4.3 65.1 87.7 1362 19 D D H >> S+ 0 0 80 2,-0.2 3,-0.8 1,-0.2 4,-0.6 0.950 109.9 47.8 -64.9 -52.4 -5.7 68.6 87.0 1363 20 D F H >< S+ 0 0 14 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.903 108.0 55.3 -54.1 -47.8 -2.8 70.4 88.8 1364 21 D A H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 118,-0.3 -2,-0.2 0.732 108.2 49.5 -61.5 -25.0 -0.2 68.2 87.1 1365 22 D A H << S+ 0 0 86 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.524 87.1 114.3 -91.3 -8.3 -1.6 69.3 83.6 1366 23 D L S << S- 0 0 26 -3,-1.4 2,-0.4 -4,-0.6 -3,-0.0 -0.351 70.3-116.2 -64.9 142.3 -1.6 73.0 84.5 1367 24 D Q - 0 0 64 -22,-0.1 -18,-0.1 -2,-0.1 -1,-0.1 -0.671 18.1-132.5 -83.0 127.8 0.8 75.3 82.5 1368 25 D L - 0 0 54 -2,-0.4 -22,-0.1 1,-0.1 -1,-0.0 -0.621 35.0-111.9 -69.9 135.7 3.6 77.1 84.4 1369 26 D P - 0 0 6 0, 0.0 37,-0.4 0, 0.0 3,-0.1 -0.289 11.9-121.6 -71.6 157.2 3.6 80.8 83.4 1370 27 D E S S+ 0 0 91 1,-0.3 36,-1.3 35,-0.1 2,-0.3 0.975 98.1 3.7 -56.7 -56.6 6.4 82.4 81.3 1371 28 D S E S-H 1405 0S 48 34,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.980 70.5-157.5-132.0 146.1 7.0 84.9 84.2 1372 29 D Y E -H 1404 0S 1 32,-2.8 32,-2.6 -2,-0.3 2,-0.3 -0.802 30.8 -97.4-115.6 160.7 5.4 85.3 87.6 1373 30 D R E +H 1403 0S 68 -2,-0.3 151,-2.3 30,-0.2 152,-0.4 -0.601 51.6 167.3 -75.8 136.9 5.2 88.3 90.0 1374 31 D A E -HI14021523S 0 28,-2.2 28,-2.8 -2,-0.3 2,-0.6 -0.998 39.5-117.5-152.2 151.0 7.9 88.5 92.7 1375 32 D I E +H 1401 0S 2 147,-2.4 87,-1.9 -2,-0.3 2,-0.2 -0.821 47.1 166.3 -90.7 116.9 9.5 90.7 95.3 1376 33 D T E -HJ14001461S 0 24,-2.0 24,-2.8 -2,-0.6 2,-0.3 -0.741 33.3-142.9-121.8 167.1 13.2 91.3 94.5 1377 34 D V E - 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