==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-10 3O2G . COMPND 2 MOLECULE: GAMMA-BUTYROBETAINE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KROJER,G.KOCHAN,M.A.MCDONOUGH,F.VON DELFT,I.K.H.LEUNG,L.HE . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 3 1 0 1 0 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 2 4 1 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 3 1 0 1 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 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 0 A S >> 0 0 97 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 139.7 -22.1 40.2 114.8 2 1 A M G >4 + 0 0 135 1,-0.2 21,-1.1 2,-0.2 22,-0.8 0.838 360.0 58.2 -46.9 -36.9 -24.5 37.4 115.9 3 2 A A G 34 S+ 0 0 35 1,-0.2 -1,-0.2 20,-0.2 21,-0.1 0.813 111.9 37.6 -67.1 -33.1 -21.8 35.0 114.7 4 3 A C G <4 S+ 0 0 37 -3,-1.0 2,-0.4 18,-0.1 -1,-0.2 0.230 97.1 97.4-102.3 5.8 -19.1 36.4 117.1 5 4 A T S << S- 0 0 25 -3,-0.7 18,-2.0 -4,-0.6 2,-0.5 -0.852 73.9-125.3-103.0 132.2 -21.4 37.0 120.1 6 5 A I E +A 22 0A 2 66,-2.5 16,-0.2 -2,-0.4 3,-0.1 -0.675 30.7 171.2 -83.4 118.5 -21.5 34.4 122.9 7 6 A Q E S- 0 0 77 14,-2.5 2,-0.3 -2,-0.5 15,-0.2 0.800 75.3 -3.4 -85.7 -40.2 -25.0 33.0 123.8 8 7 A K E -A 21 0A 104 13,-1.9 13,-3.0 64,-0.1 2,-0.4 -0.981 55.3-170.1-154.3 143.2 -23.6 30.3 126.1 9 8 A A E +A 20 0A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.996 19.5 167.3-132.4 139.4 -20.2 28.9 127.2 10 9 A E E -A 19 0A 75 9,-1.9 9,-2.9 -2,-0.4 2,-0.4 -0.997 35.4-121.0-152.3 143.0 -19.9 25.7 129.2 11 10 A A E +A 18 0A 37 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.750 42.6 171.6 -86.8 132.3 -17.2 23.2 130.3 12 11 A L E >> +A 17 0A 52 5,-2.7 5,-2.0 -2,-0.4 4,-0.5 -0.866 41.0 41.4-135.1 168.6 -17.9 19.7 129.0 13 12 A D T >45S- 0 0 122 -2,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.973 138.2 -32.8 59.7 65.1 -16.4 16.2 128.8 14 13 A G T 345S- 0 0 63 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.785 111.5 -69.7 60.9 26.8 -14.8 15.9 132.2 15 14 A A T 345S+ 0 0 28 49,-0.1 50,-2.8 2,-0.1 -1,-0.3 0.631 111.9 120.8 61.9 18.7 -14.3 19.8 131.9 16 15 A H T <<5 + 0 0 88 -3,-1.6 16,-3.0 -4,-0.5 17,-0.4 0.494 68.2 46.5 -88.3 -4.0 -11.7 19.0 129.2 17 16 A L E < -AB 12 31A 38 -5,-2.0 -5,-2.7 14,-0.3 2,-0.5 -0.970 66.9-147.2-132.0 149.4 -13.6 21.0 126.5 18 17 A M E -AB 11 30A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.5 -0.985 16.1-158.9-109.5 131.8 -15.3 24.4 126.3 19 18 A Q E -AB 10 29A 39 -9,-2.9 -9,-1.9 -2,-0.5 2,-0.5 -0.936 2.8-163.1-109.0 129.3 -18.3 24.6 124.1 20 19 A I E -AB 9 28A 0 8,-2.6 8,-2.4 -2,-0.5 2,-0.6 -0.951 6.2-159.0-106.9 127.9 -19.5 28.0 122.9 21 20 A L E -AB 8 27A 38 -13,-3.0 -14,-2.5 -2,-0.5 -13,-1.9 -0.951 20.8-149.5 -98.0 117.4 -23.0 28.4 121.5 22 21 A W E > -A 6 0A 0 4,-2.8 3,-2.3 -2,-0.6 -16,-0.2 -0.400 27.4-105.5 -80.4 164.3 -22.9 31.5 119.3 23 22 A Y T 3 S+ 0 0 93 -18,-2.0 -20,-0.2 -21,-1.1 -21,-0.1 0.733 121.4 62.3 -68.1 -15.6 -25.9 33.8 118.8 24 23 A D T 3 S- 0 0 61 -22,-0.8 -1,-0.3 -19,-0.2 -21,-0.1 0.423 119.2-111.6 -85.5 2.9 -26.3 32.3 115.3 25 24 A E S < S+ 0 0 156 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.334 76.2 131.7 81.8 0.0 -26.9 28.9 117.0 26 25 A E - 0 0 120 -5,-0.1 -4,-2.8 -23,-0.0 2,-0.4 -0.456 47.4-142.2 -75.1 153.0 -23.6 27.4 115.7 27 26 A E E -B 21 0A 119 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.932 13.9-167.7-122.1 144.7 -21.4 25.6 118.3 28 27 A S E -B 20 0A 6 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.4 -0.977 8.4-148.6-132.9 147.4 -17.7 25.6 118.6 29 28 A L E -B 19 0A 80 -2,-0.3 68,-0.7 -10,-0.2 -10,-0.2 -0.948 10.5-174.9-122.4 136.3 -15.4 23.4 120.8 30 29 A Y E -B 18 0A 0 -12,-2.4 -12,-2.3 -2,-0.4 66,-0.1 -0.971 26.4-124.2-133.7 114.9 -12.1 24.4 122.3 31 30 A P E > -B 17 0A 46 0, 0.0 4,-2.2 0, 0.0 -14,-0.3 -0.340 16.8-131.7 -60.2 136.2 -9.9 21.9 124.2 32 31 A A H > S+ 0 0 0 -16,-3.0 4,-2.6 1,-0.2 5,-0.2 0.870 107.0 55.4 -53.1 -40.7 -9.0 22.9 127.7 33 32 A V H > S+ 0 0 49 -17,-0.4 4,-2.5 30,-0.2 -1,-0.2 0.893 108.3 48.9 -64.9 -36.5 -5.3 22.2 127.2 34 33 A W H > S+ 0 0 52 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 110.4 50.0 -66.6 -45.3 -5.3 24.5 124.2 35 34 A L H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.944 113.7 45.8 -57.2 -48.7 -7.0 27.3 126.0 36 35 A R H >< S+ 0 0 14 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.936 111.4 51.9 -61.2 -45.4 -4.5 27.0 128.9 37 36 A D H 3< S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.767 115.1 44.3 -58.4 -28.8 -1.6 26.9 126.5 38 37 A N T 3< S+ 0 0 24 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.146 74.0 147.2-111.4 22.0 -2.9 30.1 124.9 39 38 A C < - 0 0 1 -3,-1.5 15,-0.2 1,-0.1 48,-0.1 -0.346 39.0-150.9 -52.0 126.6 -3.7 32.1 127.9 40 39 A P + 0 0 61 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.309 52.0 122.8 -89.6 9.4 -3.1 35.7 126.9 41 40 A C S >> S- 0 0 38 43,-0.1 4,-2.0 1,-0.1 3,-0.8 -0.221 78.5-103.6 -69.6 167.3 -2.2 37.1 130.3 42 41 A S T 34 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.722 119.6 56.0 -70.0 -21.5 1.2 38.8 130.9 43 42 A D T 34 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.870 119.8 30.7 -71.2 -32.9 2.6 35.7 132.7 44 43 A C T <4 S+ 0 0 3 -3,-0.8 9,-2.1 1,-0.2 10,-2.0 0.601 122.4 41.2-101.2 -19.0 1.9 33.5 129.7 45 44 A Y E < -C 52 0B 64 -4,-2.0 2,-0.9 7,-0.3 7,-0.2 -0.997 63.9-141.9-147.1 127.7 2.2 35.8 126.8 46 45 A L E >>> -C 51 0B 79 5,-3.4 5,-1.6 -2,-0.4 4,-1.2 -0.793 16.6-167.0 -95.1 102.7 4.6 38.6 125.8 47 46 A D G >45S+ 0 0 100 -2,-0.9 3,-0.6 1,-0.3 -1,-0.2 0.889 82.7 58.2 -64.0 -35.9 2.4 41.2 124.2 48 47 A S G 345S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.809 119.2 33.2 -62.3 -29.4 5.3 43.3 122.7 49 48 A A G <45S- 0 0 58 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.529 98.9-132.7 -98.1 -10.2 6.4 40.1 120.8 50 49 A K T <<5 + 0 0 130 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.922 67.5 129.2 47.0 50.5 3.0 38.5 120.2 51 50 A A E < -C 46 0B 43 -5,-1.6 -5,-3.4 0, 0.0 2,-0.4 -0.956 65.5-104.3-135.7 152.5 4.7 35.4 121.5 52 51 A R E +C 45 0B 119 -2,-0.3 -7,-0.3 -7,-0.2 -8,-0.1 -0.595 25.8 177.2 -77.4 126.6 4.1 32.7 124.1 53 52 A K + 0 0 103 -9,-2.1 -8,-0.2 -2,-0.4 -1,-0.2 0.661 52.6 106.3 -91.5 -30.6 6.2 32.8 127.3 54 53 A L - 0 0 23 -10,-2.0 2,-0.2 -15,-0.2 -10,-0.1 -0.312 67.3-137.4 -54.0 133.3 4.4 29.8 128.8 55 54 A L > - 0 0 105 1,-0.1 3,-1.4 0, 0.0 4,-0.4 -0.653 15.9-122.7 -89.8 149.9 6.7 26.7 128.8 56 55 A V G > S+ 0 0 116 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 0.894 114.9 64.1 -51.1 -38.0 5.5 23.2 127.8 57 56 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.720 99.0 53.5 -60.1 -23.9 6.8 22.2 131.2 58 57 A A G < S+ 0 0 56 -3,-1.4 2,-0.6 2,-0.0 -1,-0.3 0.577 90.2 93.9 -83.2 -13.0 4.1 24.5 132.8 59 58 A L < - 0 0 29 -3,-1.9 2,-0.8 -4,-0.4 -26,-0.0 -0.715 63.4-151.6 -96.9 116.3 1.2 22.9 130.9 60 59 A D > - 0 0 83 -2,-0.6 3,-1.7 1,-0.1 -24,-0.1 -0.803 9.2-157.7 -80.8 110.4 -0.7 20.0 132.5 61 60 A V T 3 S+ 0 0 102 -2,-0.8 -28,-0.2 1,-0.3 -1,-0.1 0.675 90.9 53.0 -68.5 -15.4 -1.9 18.1 129.4 62 61 A N T 3 S+ 0 0 119 -30,-0.1 -1,-0.3 -29,-0.1 -2,-0.0 0.178 83.7 141.4 -97.4 12.7 -4.8 16.6 131.5 63 62 A I < - 0 0 13 -3,-1.7 2,-0.3 -47,-0.0 -30,-0.2 -0.177 30.3-168.8 -62.1 144.4 -6.1 20.0 132.6 64 63 A G - 0 0 12 -32,-0.1 2,-0.3 -31,-0.1 -48,-0.2 -0.901 33.5 -93.8-123.9 161.4 -9.7 20.7 132.9 65 64 A I - 0 0 11 -50,-2.8 14,-0.2 -2,-0.3 3,-0.1 -0.587 29.1-165.6 -72.7 128.2 -11.6 24.0 133.4 66 65 A K S S- 0 0 150 12,-2.2 2,-0.3 -2,-0.3 13,-0.2 0.868 70.8 -7.1 -82.1 -41.4 -12.3 24.6 137.1 67 66 A G E -D 78 0C 25 11,-1.7 11,-2.3 -52,-0.1 -1,-0.3 -0.982 61.5-169.2-153.3 154.5 -14.8 27.4 136.6 68 67 A L E +D 77 0C 39 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 8.3 170.8-147.5 132.9 -16.2 29.5 133.7 69 68 A I E -D 76 0C 121 7,-2.1 7,-3.2 -2,-0.3 2,-0.3 -0.909 15.5-176.9-129.8 165.7 -18.3 32.6 133.4 70 69 A F E -D 75 0C 77 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.967 19.9-163.5-154.5 162.4 -19.0 34.6 130.3 71 70 A D - 0 0 70 3,-2.3 3,-0.2 -2,-0.3 -65,-0.2 -0.703 56.2 -76.9-131.4-170.7 -20.6 37.6 128.8 72 71 A R S S+ 0 0 173 -2,-0.2 -66,-2.5 1,-0.2 -49,-0.1 0.731 128.3 30.1 -63.0 -22.3 -21.4 38.3 125.1 73 72 A K S S+ 0 0 97 -68,-0.2 16,-3.0 1,-0.2 2,-0.3 0.531 119.8 30.0-117.0 -9.3 -17.8 39.3 124.3 74 73 A K E - E 0 88C 72 14,-0.3 -3,-2.3 -3,-0.2 2,-0.4 -0.992 53.4-141.5-153.4 155.6 -15.5 37.2 126.6 75 74 A V E -DE 70 87C 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.5 -0.948 15.7-157.7-115.8 142.2 -15.0 34.1 128.6 76 75 A Y E -DE 69 86C 46 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.4 -0.982 16.4-172.4-126.4 118.4 -13.4 34.1 132.1 77 76 A I E -DE 68 85C 0 8,-3.0 8,-2.7 -2,-0.5 2,-0.4 -0.923 17.2-156.6-123.4 135.3 -11.9 30.9 133.3 78 77 A T E -DE 67 84C 62 -11,-2.3 -12,-2.2 -2,-0.4 -11,-1.7 -0.911 18.3-147.5-102.7 141.7 -10.3 29.6 136.5 79 78 A W > - 0 0 1 4,-2.8 3,-2.3 -2,-0.4 -14,-0.1 -0.650 27.7-105.6-105.1 158.5 -7.9 26.7 136.4 80 79 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.822 121.4 51.5 -53.8 -34.8 -7.3 24.0 139.0 81 80 A D T 3 S- 0 0 108 1,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.285 124.5-103.1 -86.4 11.5 -4.0 25.6 140.1 82 81 A E S < S+ 0 0 175 -3,-2.3 -1,-0.0 1,-0.3 0, 0.0 0.341 73.3 145.6 79.9 3.3 -5.8 29.0 140.5 83 82 A H - 0 0 33 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.318 37.4-146.2 -63.2 153.2 -4.4 30.4 137.3 84 83 A Y E -E 78 0C 105 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.986 16.8-176.0-133.7 132.3 -6.9 32.8 135.7 85 84 A S E -E 77 0C 0 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.4 -0.981 13.7-160.2-132.8 146.6 -7.5 33.5 132.0 86 85 A E E -E 76 0C 78 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.987 12.1-170.3-122.8 131.5 -9.7 35.7 129.8 87 86 A F E -E 75 0C 2 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.3 -0.983 19.0-129.1-124.4 137.8 -10.5 35.0 126.1 88 87 A Q E > -E 74 0C 110 -2,-0.4 4,-2.5 -14,-0.2 -14,-0.3 -0.638 14.2-131.4 -84.7 139.9 -12.1 37.3 123.6 89 88 A A H > S+ 0 0 0 -16,-3.0 4,-3.0 -2,-0.3 5,-0.2 0.878 106.8 48.4 -56.5 -46.7 -15.1 36.0 121.6 90 89 A D H > S+ 0 0 83 -17,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 111.3 50.8 -65.2 -41.8 -13.7 37.2 118.2 91 90 A W H > S+ 0 0 67 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.913 114.0 45.6 -58.0 -46.7 -10.3 35.6 118.9 92 91 A L H < S+ 0 0 0 -4,-2.5 3,-0.5 2,-0.2 4,-0.3 0.923 110.2 53.5 -59.6 -48.3 -12.1 32.3 119.8 93 92 A K H >< S+ 0 0 43 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.920 107.3 50.9 -57.8 -45.3 -14.3 32.5 116.7 94 93 A K H 3< S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 112.8 47.2 -58.7 -34.5 -11.4 32.9 114.3 95 94 A R T 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.205 77.3 147.0 -99.1 9.6 -9.7 29.9 115.9 96 95 A C < - 0 0 10 -3,-1.4 -66,-0.1 -4,-0.3 -3,-0.1 -0.221 49.8-134.6 -50.5 131.9 -12.7 27.5 115.9 97 96 A F + 0 0 80 -68,-0.7 -1,-0.1 4,-0.1 -67,-0.1 0.474 65.0 120.5 -75.3 -2.6 -11.5 23.9 115.3 98 97 A S S > S- 0 0 57 1,-0.1 4,-2.6 -69,-0.1 5,-0.3 -0.289 74.6-119.3 -57.2 148.2 -14.2 23.1 112.7 99 98 A K H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 113.4 51.0 -56.3 -46.1 -12.8 22.0 109.3 100 99 A Q H > S+ 0 0 171 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 112.8 44.8 -61.2 -42.5 -14.5 25.0 107.6 101 100 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 114.1 48.1 -67.6 -45.4 -13.1 27.6 110.1 102 101 A R H X S+ 0 0 110 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 112.6 49.4 -61.7 -40.7 -9.6 26.2 110.0 103 102 A A H X S+ 0 0 28 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.879 109.0 52.1 -69.2 -39.2 -9.6 26.0 106.2 104 103 A K H X S+ 0 0 109 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.942 110.8 47.4 -57.4 -50.2 -10.8 29.6 105.9 105 104 A L H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 109.8 53.2 -61.5 -43.7 -8.1 30.8 108.2 106 105 A Q H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.901 107.4 51.6 -59.4 -40.4 -5.4 28.8 106.3 107 106 A R H X S+ 0 0 138 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.884 110.1 49.6 -60.7 -42.8 -6.5 30.4 103.0 108 107 A E H < S+ 0 0 59 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 116.0 43.0 -63.5 -37.6 -6.2 33.9 104.6 109 108 A L H < S+ 0 0 66 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.862 127.1 25.8 -74.5 -40.5 -2.7 33.0 105.9 110 109 A F H < S- 0 0 103 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.497 83.8-138.0-117.0 -0.9 -1.2 31.3 102.8 111 110 A F < + 0 0 30 -4,-2.0 -4,-0.1 -5,-0.2 -3,-0.1 0.924 30.1 175.5 47.0 60.6 -3.1 32.7 99.7 112 111 A P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.666 29.7 127.7 -74.1 -11.7 -3.4 29.2 98.1 113 112 A E - 0 0 125 -6,-0.2 2,-0.4 1,-0.1 0, 0.0 -0.132 38.7-175.2 -51.4 131.0 -5.5 30.4 95.0 114 113 A C - 0 0 58 34,-0.1 2,-0.6 35,-0.0 34,-0.2 -0.997 19.9-160.8-135.6 129.4 -3.7 29.1 91.9 115 114 A Q - 0 0 94 32,-2.4 2,-0.1 -2,-0.4 -2,-0.0 -0.949 17.1-150.8-112.7 110.0 -4.6 29.8 88.3 116 115 A Y - 0 0 92 -2,-0.6 2,-0.3 120,-0.1 33,-0.1 -0.450 20.9-178.7 -75.1 152.5 -3.0 27.2 86.0 117 116 A W - 0 0 10 -2,-0.1 117,-0.5 31,-0.1 120,-0.2 -0.981 19.9-177.7-151.1 159.2 -2.1 28.2 82.4 118 117 A G > - 0 0 1 -2,-0.3 3,-2.0 115,-0.1 209,-0.3 -0.333 69.5 -36.2-127.6-144.2 -0.6 27.2 79.1 119 118 A S T 3 S+ 0 0 52 207,-2.5 211,-0.2 1,-0.3 208,-0.1 0.659 125.3 70.8 -61.8 -16.4 0.1 28.9 75.8 120 119 A E T 3 S+ 0 0 117 206,-0.3 -1,-0.3 209,-0.1 209,-0.1 0.451 70.8 141.8 -78.1 -3.2 -3.1 31.1 76.2 121 120 A L < - 0 0 14 -3,-2.0 2,-0.7 1,-0.1 -4,-0.0 -0.096 45.9-151.3 -43.5 128.0 -1.4 33.0 79.1 122 121 A Q - 0 0 164 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.960 30.7-127.5 -97.5 102.9 -2.2 36.8 79.2 123 122 A L - 0 0 21 -2,-0.7 28,-0.1 1,-0.1 2,-0.1 -0.386 19.9-123.1 -60.9 116.2 1.1 37.9 80.8 124 123 A P - 0 0 30 0, 0.0 28,-3.3 0, 0.0 2,-0.4 -0.430 36.9-170.8 -63.7 137.0 0.1 40.0 83.9 125 124 A T E +f 152 0D 54 26,-0.2 2,-0.3 -2,-0.1 28,-0.2 -0.997 14.7 167.3-138.4 132.9 1.8 43.4 83.5 126 125 A L E -f 153 0D 34 26,-2.3 28,-2.7 -2,-0.4 2,-0.4 -0.933 41.3 -93.2-135.0 164.5 2.2 46.4 85.8 127 126 A D E > -f 154 0D 52 -2,-0.3 4,-1.8 26,-0.2 28,-0.2 -0.645 27.3-140.2 -81.5 133.8 4.3 49.5 85.8 128 127 A F H > S+ 0 0 0 26,-3.2 4,-1.9 -2,-0.4 3,-0.2 0.926 101.2 43.3 -55.6 -58.1 7.6 49.3 87.7 129 128 A E H > S+ 0 0 92 25,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.826 110.7 57.5 -63.6 -33.3 7.5 52.8 89.3 130 129 A D H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 8,-0.3 0.910 107.0 48.3 -59.2 -44.1 3.8 52.3 90.2 131 130 A V H < S+ 0 0 0 -4,-1.8 7,-0.2 1,-0.2 -2,-0.2 0.872 113.0 47.8 -67.2 -38.9 4.7 49.1 92.1 132 131 A L H < S+ 0 0 39 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.894 121.7 35.8 -65.7 -38.8 7.6 50.9 94.0 133 132 A R H < S+ 0 0 76 -4,-2.3 2,-0.5 -5,-0.2 -2,-0.2 0.849 111.7 52.9 -85.1 -38.7 5.4 53.9 94.8 134 133 A Y X - 0 0 125 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 -0.889 56.8-152.6-118.1 129.2 1.9 52.6 95.5 135 134 A D H > S+ 0 0 70 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.852 99.1 59.6 -64.9 -33.0 0.7 49.9 97.9 136 135 A E H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 111.2 41.4 -59.5 -41.8 -2.3 49.1 95.8 137 136 A H H > S+ 0 0 64 -7,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.894 113.2 51.5 -74.3 -40.4 0.0 48.3 92.9 138 137 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -8,-0.3 5,-0.2 0.886 110.4 51.6 -64.1 -34.8 2.6 46.4 95.0 139 138 A Y H X S+ 0 0 51 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.947 109.6 47.5 -64.5 -48.6 -0.3 44.3 96.4 140 139 A K H X S+ 0 0 94 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.923 111.6 54.5 -57.3 -42.1 -1.6 43.5 92.9 141 140 A W H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.964 114.6 35.6 -55.8 -57.2 2.0 42.6 92.0 142 141 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.877 116.2 53.2 -73.4 -33.9 2.6 40.1 94.8 143 142 A S H X S+ 0 0 23 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.900 113.4 45.0 -65.9 -37.8 -0.9 38.6 94.8 144 143 A T H X>S+ 0 0 11 -4,-2.2 4,-2.9 -5,-0.3 5,-1.1 0.906 108.8 55.9 -73.2 -40.2 -0.6 38.0 91.1 145 144 A L H X5S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 197,-0.2 0.906 112.6 43.7 -52.4 -47.5 2.9 36.6 91.5 146 145 A K H <5S+ 0 0 52 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.919 121.1 37.7 -64.5 -47.0 1.5 34.1 94.0 147 146 A K H <5S+ 0 0 56 -4,-2.3 -32,-2.4 -5,-0.2 -2,-0.2 0.925 132.4 22.5 -76.2 -48.2 -1.7 33.1 92.0 148 147 A V H <5S- 0 0 11 -4,-2.9 -3,-0.2 -34,-0.2 -2,-0.1 0.762 97.1-128.0 -90.6 -33.7 -0.5 33.1 88.4 149 148 A G S < S- 0 0 78 1,-0.1 3,-0.6 61,-0.1 -2,-0.1 -0.930 85.7 -95.9-128.1 151.2 20.6 50.4 84.1 160 159 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.142 96.8 64.0 -58.4 162.7 21.6 47.9 86.8 161 160 A G T 3> + 0 0 27 -4,-0.0 4,-1.3 0, 0.0 0, 0.0 0.290 68.5 104.1 104.0 -7.1 20.0 48.5 90.3 162 161 A E H <> S+ 0 0 7 -3,-0.6 4,-1.6 2,-0.2 3,-0.3 0.941 80.3 47.4 -76.5 -45.3 16.4 47.9 89.3 163 162 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 107.3 59.1 -63.4 -32.2 16.0 44.4 90.8 164 163 A S H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 103.1 52.5 -61.3 -39.3 17.6 45.7 94.0 165 164 A K H X S+ 0 0 95 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.887 109.7 48.0 -60.8 -42.8 14.8 48.3 94.3 166 165 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.895 108.2 56.5 -65.1 -37.8 12.2 45.5 94.0 167 166 A G H X S+ 0 0 2 -4,-2.3 4,-3.7 1,-0.2 -2,-0.2 0.904 108.7 45.3 -55.6 -46.7 14.2 43.5 96.6 168 167 A K H < S+ 0 0 98 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.872 108.4 56.7 -67.4 -37.3 13.9 46.4 99.1 169 168 A R H < S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.9 38.3 -60.6 -39.4 10.2 46.8 98.2 170 169 A M H < S- 0 0 2 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.973 125.4-100.9 -72.7 -58.4 9.8 43.1 99.2 171 170 A G S < S- 0 0 31 -4,-3.7 2,-0.3 -5,-0.2 -4,-0.1 -0.223 78.9 -16.4 170.1 -66.0 12.2 43.2 102.1 172 171 A F - 0 0 135 197,-0.1 197,-0.4 -6,-0.1 2,-0.1 -0.966 61.9-111.2-157.7 156.3 15.5 41.8 101.1 173 172 A L - 0 0 33 -2,-0.3 2,-0.7 195,-0.1 195,-0.3 -0.346 34.2-108.2 -81.8 164.7 17.0 39.6 98.4 174 173 A Y - 0 0 61 193,-2.7 193,-0.4 6,-0.2 2,-0.3 -0.876 32.9-139.8-101.1 104.3 18.3 36.1 98.8 175 174 A L + 0 0 74 -2,-0.7 2,-0.2 191,-0.1 5,-0.2 -0.511 28.8 169.6 -65.1 131.9 22.2 36.0 98.6 176 175 A T B > -K 179 0E 13 3,-1.1 3,-2.1 -2,-0.3 5,-0.1 -0.776 53.1 -87.1-129.5 179.4 23.7 33.2 96.7 177 176 A F T 3 S+ 0 0 66 1,-0.3 90,-3.0 -2,-0.2 91,-0.5 0.662 125.4 61.0 -60.4 -18.8 27.2 32.2 95.4 178 177 A Y T 3 S- 0 0 13 1,-0.3 -1,-0.3 88,-0.2 2,-0.1 0.483 118.5-105.4 -89.6 -0.2 26.4 34.1 92.2 179 178 A G B < -K 176 0E 8 -3,-2.1 -3,-1.1 1,-0.2 -1,-0.3 -0.462 37.4 -61.9 113.5 177.6 26.0 37.3 94.3 180 179 A H S S+ 0 0 108 1,-0.2 187,-0.5 -5,-0.2 2,-0.3 0.899 128.5 0.9 -62.9 -43.8 23.3 39.7 95.7 181 180 A T S S- 0 0 30 -3,-0.1 2,-0.3 185,-0.1 -1,-0.2 -0.900 80.6-150.7-133.1 165.7 22.5 40.3 92.0 182 181 A W E -H 365 0D 13 183,-2.1 183,-2.8 -2,-0.3 2,-0.6 -0.977 12.7-125.5-144.6 153.0 24.1 38.7 88.9 183 182 A Q E -H 364 0D 48 -2,-0.3 2,-1.0 181,-0.2 181,-0.2 -0.887 13.5-153.1-107.0 113.1 24.7 39.7 85.3 184 183 A V E +H 363 0D 9 179,-3.4 179,-1.9 -2,-0.6 2,-0.3 -0.787 49.9 118.7 -88.4 100.4 23.4 37.4 82.5 185 184 A Q S S- 0 0 40 -2,-1.0 2,-0.3 177,-0.2 177,-0.1 -0.942 73.8 -77.2-152.4 165.2 25.8 38.1 79.7 186 185 A D - 0 0 55 175,-0.4 2,-0.4 -2,-0.3 10,-0.3 -0.550 54.9-171.8 -70.7 124.6 28.4 36.1 77.6 187 186 A K > - 0 0 66 8,-2.6 3,-1.0 -2,-0.3 2,-0.1 -0.975 27.4-115.1-126.8 139.4 31.5 35.7 79.7 188 187 A I T 3 S+ 0 0 148 -2,-0.4 3,-0.1 1,-0.3 8,-0.0 -0.418 106.5 10.2 -60.9 135.6 35.0 34.4 78.9 189 188 A D T 3 S- 0 0 154 1,-0.2 -1,-0.3 -2,-0.1 0, 0.0 0.902 97.4-150.9 56.1 46.6 35.7 31.3 81.0 190 189 A A < - 0 0 39 -3,-1.0 -1,-0.2 1,-0.2 3,-0.1 -0.173 17.2-155.9 -55.7 133.6 32.0 31.2 81.9 191 190 A N S S+ 0 0 43 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.386 80.4 29.8 -89.5 5.2 31.3 29.6 85.3 192 191 A N S > S- 0 0 35 3,-0.1 3,-1.6 1,-0.1 -1,-0.1 -0.974 78.7-121.1-162.4 140.5 27.7 28.8 84.3 193 192 A V G > S+ 0 0 70 -2,-0.3 3,-0.9 1,-0.3 5,-0.3 0.811 110.8 69.7 -59.2 -27.8 25.9 27.9 81.0 194 193 A A G 3 S+ 0 0 20 1,-0.3 2,-0.5 3,-0.1 -1,-0.3 0.844 90.0 62.3 -51.0 -37.4 23.7 31.0 81.7 195 194 A Y G < S+ 0 0 6 -3,-1.6 -8,-2.6 -11,-0.1 -1,-0.3 -0.171 96.7 70.6 -93.0 42.5 26.8 33.2 81.0 196 195 A T S < S- 0 0 38 -3,-0.9 -8,-0.0 -2,-0.5 -10,-0.0 -0.802 92.2-106.4-138.5-179.4 27.2 32.1 77.4 197 196 A T S S+ 0 0 30 -2,-0.2 156,-2.4 155,-0.1 31,-0.1 0.345 79.0 119.4 -94.7 9.0 25.1 32.7 74.2 198 197 A G S S- 0 0 27 -5,-0.3 2,-0.2 154,-0.2 -2,-0.2 -0.182 73.0 -92.0 -73.1 161.8 23.8 29.1 74.2 199 198 A K - 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