==== 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 26-MAY-10 3N6W . COMPND 2 MOLECULE: GAMMA-BUTYROBETAINE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RUMNIEKS,A.ZELTINS,A.LEONCHIKS,A.KAZAKS,S.KOTELOVICA,K.TAR . 360 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 0 0 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 . 3 2 2 3 3 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 0 117 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 139.8 8.1 47.3 25.4 2 1 A M > + 0 0 103 1,-0.2 22,-1.6 2,-0.2 3,-0.8 0.851 360.0 56.0 -68.6 -36.3 11.4 45.5 26.1 3 2 A A T 3 S+ 0 0 23 1,-0.2 -1,-0.2 20,-0.2 22,-0.1 0.783 111.4 43.3 -65.5 -28.6 13.5 48.2 24.6 4 3 A C T 3 S+ 0 0 34 -3,-0.3 2,-0.4 18,-0.1 -1,-0.2 0.228 93.0 92.3-109.5 9.8 12.1 50.9 26.9 5 4 A T S < S- 0 0 21 -3,-0.8 18,-2.2 -4,-0.2 2,-0.6 -0.897 73.1-122.8-112.1 141.1 12.0 49.1 30.3 6 5 A I E +A 22 0A 2 66,-2.4 16,-0.2 -2,-0.4 3,-0.1 -0.682 28.3 173.2 -87.3 115.4 14.8 49.3 32.8 7 6 A Q E S- 0 0 72 14,-2.5 2,-0.3 -2,-0.6 15,-0.2 0.819 77.0 -2.5 -81.3 -37.1 16.3 46.0 33.9 8 7 A K E -A 21 0A 91 13,-1.8 13,-3.2 64,-0.1 2,-0.4 -0.977 57.8-172.6-156.4 142.1 19.0 47.8 35.9 9 8 A A E +A 20 0A 5 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.999 17.8 161.9-133.9 135.1 20.2 51.4 36.7 10 9 A E E -A 19 0A 68 9,-2.0 9,-3.0 -2,-0.4 2,-0.3 -0.998 38.1-115.1-150.9 151.8 23.4 52.3 38.5 11 10 A A E +A 18 0A 37 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.648 41.3 178.7 -78.6 139.0 25.8 55.2 39.1 12 11 A L E >> +A 17 0A 53 5,-2.7 5,-2.0 -2,-0.3 4,-0.8 -0.900 46.5 33.9-135.6 165.6 29.4 54.6 37.8 13 12 A D T >45S- 0 0 113 -2,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.945 139.4 -34.3 56.0 61.2 32.7 56.3 37.5 14 13 A G T 345S- 0 0 64 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.814 111.3 -67.2 61.3 31.1 32.6 58.3 40.8 15 14 A A T 345S+ 0 0 21 49,-0.2 50,-2.7 2,-0.1 -1,-0.3 0.650 111.3 121.0 64.3 19.4 28.8 58.6 40.2 16 15 A H T <<5S+ 0 0 86 -3,-1.4 16,-2.8 -4,-0.8 17,-0.4 0.527 71.0 44.0 -87.8 -8.0 29.6 60.8 37.2 17 16 A L E < -AB 12 31A 42 -5,-2.0 -5,-2.7 14,-0.3 2,-0.5 -0.959 67.4-149.8-133.3 149.6 27.7 58.5 34.9 18 17 A M E -AB 11 30A 0 12,-2.3 12,-2.8 -2,-0.3 2,-0.4 -0.996 15.8-158.3-117.2 127.0 24.5 56.6 35.1 19 18 A Q E -AB 10 29A 57 -9,-3.0 -9,-2.0 -2,-0.5 2,-0.5 -0.881 3.4-161.6-104.9 135.7 24.3 53.3 33.2 20 19 A I E -AB 9 28A 0 8,-3.0 8,-2.3 -2,-0.4 2,-0.6 -0.966 7.2-160.2-115.9 128.2 21.1 51.7 32.1 21 20 A L E -AB 8 27A 42 -13,-3.2 -14,-2.5 -2,-0.5 -13,-1.8 -0.949 18.9-152.1 -99.9 118.1 20.6 48.1 31.2 22 21 A W E > -A 6 0A 0 4,-2.7 3,-2.3 -2,-0.6 -16,-0.2 -0.553 25.6-118.4 -84.7 155.3 17.4 47.8 29.2 23 22 A Y T 3 S+ 0 0 76 -18,-2.2 -20,-0.2 -21,-0.6 -21,-0.1 0.817 116.7 70.1 -62.3 -30.3 15.3 44.5 29.1 24 23 A D T 3 S- 0 0 65 -22,-1.6 -1,-0.3 -19,-0.3 -21,-0.1 0.690 117.3-117.7 -42.6 -30.3 16.2 44.6 25.4 25 24 A E S < S+ 0 0 123 -3,-2.3 -2,-0.1 1,-0.4 2,-0.1 0.317 77.2 127.5 87.0 -4.2 19.8 43.8 26.6 26 25 A E - 0 0 82 -5,-0.0 -4,-2.7 -23,-0.0 -1,-0.4 -0.408 49.4-144.2 -72.2 159.1 20.9 47.2 25.1 27 26 A E E -B 21 0A 127 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.973 12.9-166.9-131.6 147.2 22.8 49.6 27.4 28 27 A S E -B 20 0A 9 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.4 -0.975 7.8-151.8-136.4 149.1 22.9 53.4 27.8 29 28 A L E -B 19 0A 75 -2,-0.3 68,-0.5 -10,-0.2 -10,-0.2 -0.974 10.8-173.1-124.7 128.2 25.2 55.9 29.5 30 29 A Y E -B 18 0A 0 -12,-2.8 -12,-2.3 -2,-0.4 2,-0.1 -0.980 23.3-126.2-125.8 126.1 24.1 59.3 30.9 31 30 A P E > -B 17 0A 42 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.422 15.8-134.5 -68.7 138.2 26.4 62.0 32.3 32 31 A A H > S+ 0 0 1 -16,-2.8 4,-2.6 1,-0.2 5,-0.2 0.856 104.3 55.7 -60.2 -37.9 25.5 63.1 35.8 33 32 A V H > S+ 0 0 47 -17,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.879 107.9 49.0 -65.8 -35.4 26.0 66.8 34.9 34 33 A W H > S+ 0 0 52 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.876 110.6 50.2 -70.8 -40.4 23.5 66.5 32.0 35 34 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 3,-0.2 0.924 113.4 45.9 -61.6 -45.7 20.9 64.7 34.2 36 35 A R H >< S+ 0 0 19 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.919 111.4 51.8 -61.5 -45.5 21.2 67.5 36.8 37 36 A D H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 114.9 44.5 -60.4 -27.8 21.0 70.2 34.1 38 37 A N T 3< S+ 0 0 30 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.008 75.0 151.0-113.6 26.5 17.9 68.6 32.8 39 38 A C < - 0 0 1 -3,-1.4 15,-0.2 1,-0.1 48,-0.1 -0.381 37.6-150.3 -55.1 128.2 16.0 67.9 36.1 40 39 A P + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.440 56.6 118.6 -88.0 2.5 12.3 68.0 35.3 41 40 A C S >> S- 0 0 39 43,-0.1 4,-1.9 1,-0.1 3,-0.7 -0.168 79.9-107.7 -62.2 162.7 11.2 69.3 38.7 42 41 A S T 34 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.632 117.1 60.0 -76.8 -11.3 9.5 72.6 38.9 43 42 A D T 34 S+ 0 0 126 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.847 119.3 29.6 -69.7 -35.0 12.5 74.4 40.4 44 43 A C T <4 S+ 0 0 3 -3,-0.7 9,-2.2 1,-0.2 10,-1.6 0.653 121.6 42.7-100.8 -20.1 14.5 73.5 37.3 45 44 A Y E < -C 52 0B 62 -4,-1.9 2,-0.7 7,-0.3 7,-0.2 -0.988 56.8-147.6-142.8 137.1 12.0 73.3 34.5 46 45 A L E >> -C 51 0B 72 5,-3.2 5,-1.8 -2,-0.4 4,-1.1 -0.882 14.1-168.0-106.7 99.3 8.9 75.2 33.1 47 46 A D T >45S+ 0 0 113 -2,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.879 83.1 52.2 -50.0 -50.4 6.5 72.7 31.6 48 47 A S T 345S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.818 120.1 33.7 -64.7 -33.6 4.3 75.2 29.8 49 48 A A T 345S- 0 0 60 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.506 99.9-132.3 -94.8 -6.1 7.2 77.0 28.1 50 49 A K T <<5 + 0 0 162 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.943 63.6 137.6 46.0 52.4 9.2 73.8 27.7 51 50 A A E < -C 46 0B 39 -5,-1.8 -5,-3.2 0, 0.0 2,-0.5 -0.946 59.7-115.7-132.2 146.7 12.1 75.8 29.1 52 51 A R E -C 45 0B 124 -2,-0.3 -7,-0.3 -7,-0.2 -8,-0.1 -0.699 20.5-176.8 -83.2 126.2 14.9 75.4 31.6 53 52 A K + 0 0 99 -9,-2.2 -8,-0.2 -2,-0.5 -1,-0.2 0.728 53.6 106.8 -87.0 -28.7 14.8 77.6 34.7 54 53 A L - 0 0 25 -10,-1.6 2,-0.2 -17,-0.2 -10,-0.1 -0.292 66.9-135.8 -57.0 130.6 18.1 76.3 36.0 55 54 A L > - 0 0 120 1,-0.1 3,-1.4 -2,-0.0 4,-0.4 -0.627 12.8-126.7 -86.9 147.0 20.9 78.8 35.7 56 55 A V G > S+ 0 0 122 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.900 112.4 59.7 -56.5 -40.9 24.4 77.8 34.5 57 56 A E G 3 S+ 0 0 181 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.662 102.5 52.6 -65.0 -15.0 25.8 79.4 37.7 58 57 A A G < S+ 0 0 65 -3,-1.4 2,-0.6 2,-0.0 -1,-0.3 0.484 90.4 96.1 -94.3 -4.2 23.7 77.0 39.8 59 58 A L < - 0 0 29 -3,-1.8 2,-0.8 -4,-0.4 3,-0.0 -0.794 66.0-147.1 -99.2 117.0 25.1 73.9 38.0 60 59 A D > - 0 0 85 -2,-0.6 3,-1.8 1,-0.2 -24,-0.1 -0.689 7.8-162.2 -77.2 106.6 28.0 72.0 39.5 61 60 A V T 3 S+ 0 0 101 -2,-0.8 -28,-0.2 1,-0.3 -1,-0.2 0.728 90.1 51.8 -69.1 -16.9 29.9 70.7 36.4 62 61 A N T 3 S+ 0 0 123 -30,-0.1 -1,-0.3 -29,-0.1 -2,-0.1 0.140 84.2 141.6-100.2 18.3 31.7 68.2 38.7 63 62 A I < - 0 0 12 -3,-1.8 2,-0.3 -47,-0.1 -30,-0.2 -0.213 30.5-167.2 -63.7 147.1 28.5 66.8 40.2 64 63 A G - 0 0 12 -32,-0.1 2,-0.4 -31,-0.1 -48,-0.2 -0.925 32.1 -94.8-128.8 157.2 28.0 63.1 40.9 65 64 A I - 0 0 10 -50,-2.7 14,-0.2 -2,-0.3 3,-0.1 -0.576 30.4-170.0 -69.3 125.2 24.9 61.1 41.8 66 65 A K S S+ 0 0 127 12,-1.9 2,-0.3 -2,-0.4 13,-0.2 0.904 71.1 4.7 -81.2 -45.3 24.5 60.7 45.6 67 66 A G E -D 78 0C 27 11,-2.0 11,-2.8 -52,-0.1 2,-0.4 -1.000 63.0-167.7-144.8 142.4 21.7 58.2 45.6 68 67 A L E +D 77 0C 34 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 7.9 173.0-137.4 126.8 19.9 56.2 42.9 69 68 A I E -D 76 0C 115 7,-2.4 7,-3.3 -2,-0.4 2,-0.3 -0.922 13.0-179.8-122.1 151.1 16.7 54.1 43.0 70 69 A F E -D 75 0C 77 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.994 16.7-179.5-146.3 156.4 14.9 52.6 40.0 71 70 A D - 0 0 67 3,-2.1 -65,-0.2 -2,-0.3 -63,-0.0 -0.651 58.9 -71.8-129.5-161.7 11.9 50.5 38.8 72 71 A R S S+ 0 0 136 -2,-0.2 -66,-2.4 1,-0.2 -64,-0.1 0.727 128.7 22.4 -65.3 -22.5 10.9 49.4 35.3 73 72 A K S S+ 0 0 68 -68,-0.2 16,-3.0 1,-0.1 2,-0.3 0.540 118.6 43.3-126.3 -16.2 9.8 52.8 34.2 74 73 A K E - E 0 88C 55 14,-0.2 -3,-2.1 15,-0.1 2,-0.4 -0.949 52.1-149.6-136.9 156.5 11.6 55.5 36.3 75 74 A V E -DE 70 87C 0 12,-2.1 12,-2.4 -2,-0.3 2,-0.5 -0.989 14.7-158.6-120.9 136.9 14.9 56.5 37.8 76 75 A Y E -DE 69 86C 42 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.4 -0.956 14.4-171.5-120.8 112.7 14.9 58.5 41.1 77 76 A I E -DE 68 85C 0 8,-3.4 8,-2.8 -2,-0.5 2,-0.4 -0.865 15.0-160.8-114.8 136.6 18.1 60.4 41.8 78 77 A T E -DE 67 84C 41 -11,-2.8 -11,-2.0 -2,-0.4 -12,-1.9 -0.939 17.6-146.7-108.9 136.1 19.3 62.3 44.9 79 78 A W > - 0 0 0 4,-3.0 3,-2.3 -2,-0.4 -14,-0.1 -0.534 29.9-100.8 -97.7 164.3 22.0 64.9 44.4 80 79 A P T 3 S+ 0 0 69 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 0.779 124.4 50.2 -58.0 -27.8 24.8 65.8 46.9 81 80 A D T 3 S- 0 0 112 2,-0.0 3,-0.1 1,-0.0 -3,-0.0 0.245 125.1-103.1 -93.3 14.4 22.9 68.9 48.0 82 81 A E S < S+ 0 0 116 -3,-2.3 -1,-0.0 1,-0.3 0, 0.0 0.411 72.0 148.5 78.6 2.2 19.8 66.8 48.5 83 82 A H - 0 0 33 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.358 36.6-144.4 -59.8 150.3 18.1 68.0 45.3 84 83 A Y E -E 78 0C 101 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.972 18.5-176.5-130.6 135.1 15.9 65.3 43.9 85 84 A S E -E 77 0C 1 -8,-2.8 -8,-3.4 -2,-0.4 2,-0.4 -0.995 10.2-161.4-135.6 133.5 15.2 64.3 40.3 86 85 A E E -E 76 0C 82 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.957 11.1-168.1-111.5 135.2 12.9 61.8 38.6 87 86 A F E -E 75 0C 3 -12,-2.4 -12,-2.1 -2,-0.4 2,-0.2 -0.973 17.4-129.8-123.9 135.5 13.4 60.7 35.0 88 87 A Q E > -E 74 0C 94 -2,-0.4 4,-2.2 -14,-0.2 -14,-0.2 -0.590 16.3-130.3 -81.2 145.0 11.1 58.6 32.8 89 88 A A H > S+ 0 0 2 -16,-3.0 4,-2.6 -2,-0.2 5,-0.2 0.869 107.7 49.5 -59.3 -43.7 12.4 55.6 31.0 90 89 A D H > S+ 0 0 106 -17,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.877 110.1 51.1 -65.8 -40.8 11.0 56.6 27.6 91 90 A W H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.920 114.2 44.2 -61.4 -47.0 12.4 60.1 27.9 92 91 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 111.1 53.7 -62.7 -46.1 15.9 58.7 28.7 93 92 A K H >< S+ 0 0 36 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.873 108.3 49.1 -59.6 -42.9 15.7 56.1 26.0 94 93 A K H 3< S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.8 48.1 -65.8 -35.7 15.0 58.7 23.3 95 94 A R T 3< S+ 0 0 88 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.237 79.7 145.9 -92.8 11.3 17.9 60.9 24.5 96 95 A C < - 0 0 9 -3,-1.0 -66,-0.1 -4,-0.2 -3,-0.1 -0.226 50.4-134.8 -50.3 135.1 20.4 58.0 24.6 97 96 A F + 0 0 84 -68,-0.5 -1,-0.1 4,-0.1 -69,-0.1 0.410 64.4 119.6 -82.5 2.1 23.9 59.2 23.6 98 97 A S S > S- 0 0 55 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.326 76.0-117.7 -63.6 151.3 24.8 56.4 21.2 99 98 A K H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 114.5 52.0 -58.9 -37.4 25.5 57.4 17.7 100 99 A Q H > S+ 0 0 146 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 112.5 42.2 -66.1 -48.7 22.5 55.4 16.5 101 100 A A H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 116.1 49.4 -66.4 -42.4 19.9 56.9 18.9 102 101 A R H X S+ 0 0 131 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.912 112.2 47.4 -63.1 -44.8 21.2 60.4 18.4 103 102 A A H X S+ 0 0 42 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.850 110.5 53.3 -64.9 -36.5 21.1 60.1 14.6 104 103 A K H X S+ 0 0 108 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.945 110.6 46.3 -62.6 -49.4 17.6 58.7 14.8 105 104 A L H X S+ 0 0 34 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.840 110.0 53.7 -63.1 -35.7 16.4 61.6 16.9 106 105 A Q H X S+ 0 0 104 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.869 106.8 51.9 -67.2 -36.6 18.0 64.1 14.6 107 106 A R H X S+ 0 0 132 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.901 109.5 50.6 -63.9 -41.2 16.2 62.6 11.6 108 107 A E H < S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.797 116.5 40.5 -66.4 -34.0 13.0 63.0 13.5 109 108 A L H < S+ 0 0 68 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.880 128.1 26.2 -80.1 -40.5 13.7 66.6 14.3 110 109 A F H < S- 0 0 105 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.486 85.8-138.1-114.5 -5.4 15.2 67.8 11.0 111 110 A F < + 0 0 24 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.920 28.1 176.2 53.0 59.9 13.8 65.5 8.2 112 111 A P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.616 31.6 126.9 -75.4 -9.0 17.0 65.1 6.2 113 112 A E - 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