==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-07 2OSY . COMPND 2 MOLECULE: ENDOGLYCOCERAMIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR M.E.C.CAINES,N.C.J.STRYNADKA . 867 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 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 . 56 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 1 1 0 0 0 2 2 0 2 1 2 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 4 0 2 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 2 2 4 4 0 1 1 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 . 0 0 2 0 2 0 0 2 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 43 A P 0 0 114 0, 0.0 2,-0.3 0, 0.0 319,-0.1 0.000 360.0 360.0 360.0 143.9 -1.3 61.7 -24.6 2 44 A S - 0 0 47 287,-0.3 289,-0.6 358,-0.0 2,-0.3 -0.741 360.0-158.9-105.6 150.6 -0.6 59.3 -21.7 3 45 A Y - 0 0 23 -2,-0.3 2,-0.2 287,-0.2 10,-0.1 -0.946 21.5-119.0-128.9 144.5 1.5 59.9 -18.7 4 46 A L - 0 0 5 8,-0.3 8,-3.2 -2,-0.3 2,-0.3 -0.493 40.3-146.4 -65.5 152.9 3.4 57.9 -16.0 5 47 A K B -A 11 0A 82 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.889 5.6-126.8-129.3 153.9 1.9 58.6 -12.6 6 48 A D > - 0 0 20 4,-1.8 3,-2.0 -2,-0.3 6,-0.0 -0.295 48.6 -84.2 -85.7-177.6 3.3 58.8 -9.1 7 49 A D T 3 S+ 0 0 144 1,-0.3 -1,-0.1 169,-0.2 -2,-0.0 0.677 130.5 56.9 -65.6 -17.1 1.8 56.8 -6.2 8 50 A D T 3 S- 0 0 60 2,-0.1 375,-0.4 373,-0.0 -1,-0.3 0.300 120.5-109.5 -92.1 8.1 -0.9 59.5 -5.6 9 51 A G < + 0 0 25 -3,-2.0 350,-0.2 1,-0.2 2,-0.2 0.530 67.4 149.7 76.6 8.9 -2.0 59.1 -9.2 10 52 A R - 0 0 27 348,-0.1 -4,-1.8 1,-0.1 2,-0.4 -0.510 51.3-114.6 -77.5 146.2 -0.6 62.5 -10.4 11 53 A S E -AB 5 357A 2 346,-2.5 346,-2.6 348,-0.6 2,-0.4 -0.643 32.9-130.1 -85.1 128.0 0.5 62.6 -14.0 12 54 A L E - B 0 356A 13 -8,-3.2 2,-0.6 -2,-0.4 -8,-0.3 -0.656 19.3-168.0 -88.8 128.2 4.2 63.2 -14.4 13 55 A I - 0 0 4 342,-2.3 2,-0.5 -2,-0.4 309,-0.1 -0.956 26.3-154.8-106.4 110.7 6.0 65.8 -16.6 14 56 A L + 0 0 4 -2,-0.6 309,-2.0 33,-0.1 2,-0.4 -0.781 20.8 171.7-102.4 123.5 9.6 64.7 -16.5 15 57 A R E +f 323 0B 24 -2,-0.5 33,-2.4 307,-0.2 34,-1.2 -0.980 29.1 92.9-135.5 117.9 12.5 67.1 -17.0 16 58 A G E -fg 324 49B 3 307,-1.9 309,-2.7 -2,-0.4 2,-0.3 -0.901 55.5 -76.4-172.0-160.3 16.1 66.1 -16.5 17 59 A F E -fg 325 50B 0 32,-0.8 34,-2.3 307,-0.3 2,-0.6 -0.786 33.2-108.6-121.9 155.7 19.4 64.7 -17.7 18 60 A N E - g 0 51B 0 307,-3.0 310,-2.2 -2,-0.3 2,-0.4 -0.865 44.1-136.9 -73.1 120.1 21.2 61.5 -18.7 19 61 A T E - g 0 52B 0 32,-2.5 34,-1.6 -2,-0.6 14,-0.1 -0.975 60.0 -6.6-127.1 115.1 23.7 60.9 -15.8 20 62 A A > + 0 0 2 -2,-0.4 3,-1.6 32,-0.2 4,-0.4 0.684 22.9 175.9-147.9 162.7 26.2 60.1 -17.0 21 63 A S G > S+ 0 0 29 -3,-0.3 3,-1.0 1,-0.3 4,-0.4 0.735 95.6 72.4 -64.0 -21.9 28.5 59.1 -19.9 22 64 A S G >> S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.745 85.9 66.5 -64.7 -22.7 31.4 59.0 -17.4 23 65 A A G <4 S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.789 83.3 75.1 -65.8 -30.0 29.8 55.8 -15.9 24 66 A K G <4 S+ 0 0 21 -3,-1.0 83,-1.9 -4,-0.4 88,-0.3 0.867 109.5 25.6 -49.8 -42.6 30.6 53.9 -19.2 25 67 A S T <4 S+ 0 0 56 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.549 90.5 118.6-103.2 -12.7 34.3 53.6 -18.4 26 68 A A >< - 0 0 14 -4,-0.8 3,-2.3 -3,-0.2 81,-0.1 -0.417 61.5-140.3 -63.6 120.5 34.3 53.8 -14.6 27 69 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.886 105.2 45.1 -45.5 -45.8 35.8 50.6 -13.0 28 70 A D T 3 S- 0 0 68 2,-0.1 -2,-0.1 1,-0.1 45,-0.1 0.323 114.5-117.0 -86.1 7.1 33.1 50.7 -10.3 29 71 A G S < S+ 0 0 0 -3,-2.3 -6,-0.1 1,-0.2 29,-0.1 0.432 73.6 124.6 80.3 -0.4 30.2 51.5 -12.8 30 72 A M - 0 0 5 -8,-0.1 -1,-0.2 1,-0.1 -4,-0.1 -0.650 60.6-117.5 -98.2 147.2 29.5 54.9 -11.2 31 73 A P - 0 0 7 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.440 29.6-110.2 -76.5 154.1 29.4 58.3 -12.9 32 74 A Q S S+ 0 0 173 -2,-0.1 2,-0.3 2,-0.0 -10,-0.1 -0.668 82.2 117.9 -78.3 84.1 31.8 61.1 -11.9 33 75 A F - 0 0 17 -2,-1.8 2,-0.2 -14,-0.1 296,-0.0 -0.941 47.4-159.3-160.2 122.3 28.9 63.0 -10.4 34 76 A T > - 0 0 68 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.532 35.8-104.7-109.2 173.3 28.5 63.9 -6.8 35 77 A E H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 123.1 55.4 -66.8 -31.8 25.7 64.8 -4.4 36 78 A A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 103.3 54.3 -65.4 -39.8 26.9 68.4 -4.7 37 79 A D H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.891 108.3 49.4 -62.3 -41.4 26.6 68.3 -8.5 38 80 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.944 107.9 53.7 -62.2 -44.1 23.0 67.2 -8.1 39 81 A A H X S+ 0 0 26 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.909 110.7 47.3 -58.9 -39.8 22.4 70.0 -5.6 40 82 A R H X S+ 0 0 84 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.938 111.3 49.7 -62.5 -53.7 23.8 72.4 -8.3 41 83 A E H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 5,-0.5 0.893 115.4 44.7 -47.2 -47.9 21.6 70.9 -11.1 42 84 A Y H X S+ 0 0 22 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.946 114.1 48.3 -66.4 -51.4 18.5 71.2 -8.8 43 85 A A H < S+ 0 0 73 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.872 120.1 39.4 -52.4 -42.6 19.4 74.8 -7.7 44 86 A D H < S+ 0 0 40 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.760 135.9 8.8 -86.3 -29.4 20.0 75.9 -11.2 45 87 A M H < S- 0 0 3 -4,-2.2 306,-0.3 -5,-0.2 -3,-0.2 0.507 80.6-130.4-133.5 -11.2 17.3 74.1 -13.2 46 88 A G < - 0 0 0 -4,-2.2 -4,-0.2 -5,-0.5 -3,-0.1 0.843 40.2-180.0 62.9 37.8 14.7 72.4 -10.9 47 89 A T - 0 0 7 -6,-0.4 -31,-0.2 1,-0.1 -1,-0.1 -0.263 23.2-172.1 -74.4 157.5 14.9 69.1 -12.6 48 90 A N + 0 0 6 -33,-2.4 39,-2.8 1,-0.1 2,-0.3 0.192 61.5 59.5-133.4 12.1 12.7 66.2 -11.4 49 91 A F E -gh 16 87B 0 -34,-1.2 -32,-0.8 37,-0.2 2,-0.3 -0.986 49.3-175.1-149.8 144.9 14.1 63.4 -13.6 50 92 A V E -gh 17 88B 0 37,-1.4 39,-3.1 -2,-0.3 2,-0.8 -0.980 20.6-148.9-139.5 137.4 17.2 61.4 -14.4 51 93 A R E -gh 18 89B 0 -34,-2.3 -32,-2.5 -2,-0.3 2,-0.6 -0.931 32.4-157.5 -91.2 107.3 18.0 58.7 -16.9 52 94 A F E -gh 19 90B 1 37,-3.1 39,-2.9 -2,-0.8 2,-0.4 -0.801 8.8-131.6-100.4 118.1 20.7 57.0 -14.8 53 95 A L E + h 0 91B 4 -34,-1.6 2,-0.2 -2,-0.6 39,-0.2 -0.538 32.1 168.2 -73.7 117.2 23.2 54.8 -16.7 54 96 A I E - h 0 92B 4 37,-3.0 39,-2.3 -2,-0.4 2,-0.3 -0.690 21.2-138.2-110.7 175.1 23.8 51.3 -15.4 55 97 A S > - 0 0 9 -2,-0.2 4,-2.2 37,-0.2 3,-0.4 -0.999 17.5-138.3-143.6 140.1 25.6 48.5 -17.2 56 98 A W H > S+ 0 0 8 -2,-0.3 4,-3.4 37,-0.3 57,-0.2 0.880 108.2 58.9 -58.9 -41.9 25.2 44.8 -17.7 57 99 A R H 4 S+ 0 0 25 55,-2.5 -1,-0.2 1,-0.2 56,-0.1 0.816 110.6 42.9 -59.5 -30.9 29.0 44.3 -17.1 58 100 A S H 4 S+ 0 0 7 -3,-0.4 9,-0.4 54,-0.2 -2,-0.2 0.816 117.8 45.0 -83.3 -36.6 28.5 45.9 -13.7 59 101 A V H < S+ 0 0 0 -4,-2.2 8,-2.0 1,-0.2 -2,-0.2 0.941 130.1 21.5 -66.8 -47.8 25.3 44.0 -12.9 60 102 A E < + 0 0 0 -4,-3.4 -1,-0.2 6,-0.2 6,-0.2 -0.653 64.8 166.6-127.6 68.7 26.5 40.6 -14.1 61 103 A P S S+ 0 0 63 0, 0.0 55,-0.3 0, 0.0 -1,-0.1 0.753 78.0 22.5 -65.1 -20.9 30.3 40.6 -14.0 62 104 A A B > S-N 65 0C 39 3,-0.9 3,-2.0 -3,-0.1 2,-0.1 -0.965 109.2 -75.7-135.6 157.6 30.3 36.8 -14.4 63 105 A P T 3 S- 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.274 113.5 -5.7 -59.0 117.7 27.6 34.5 -15.8 64 106 A G T 3 S+ 0 0 46 1,-0.2 2,-0.5 -2,-0.1 -4,-0.0 0.582 107.8 108.8 85.2 13.7 24.8 34.1 -13.3 65 107 A V B < -N 62 0C 87 -3,-2.0 -3,-0.9 2,-0.0 2,-0.4 -0.978 53.8-158.3-130.4 110.6 26.5 36.0 -10.6 66 108 A Y - 0 0 61 -2,-0.5 2,-1.0 -6,-0.2 -6,-0.2 -0.799 16.4-130.0 -99.6 136.8 25.2 39.4 -9.7 67 109 A D > - 0 0 50 -8,-2.0 4,-1.8 -2,-0.4 3,-0.3 -0.716 22.8-178.5 -89.5 99.4 27.3 42.1 -8.0 68 110 A Q H > S+ 0 0 89 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.743 81.3 62.1 -72.1 -23.4 25.2 43.3 -5.0 69 111 A Q H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.848 103.8 49.0 -70.1 -35.6 27.9 45.8 -4.1 70 112 A Y H > S+ 0 0 0 -3,-0.3 4,-2.3 -12,-0.2 -2,-0.2 0.946 110.3 50.4 -62.7 -46.7 27.4 47.5 -7.5 71 113 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.868 106.8 56.1 -61.5 -34.0 23.6 47.5 -6.8 72 114 A D H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.912 107.7 48.8 -58.2 -46.3 24.4 49.1 -3.4 73 115 A R H X S+ 0 0 56 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.913 111.3 47.9 -61.3 -43.0 26.3 51.9 -5.2 74 116 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.929 111.8 51.4 -62.2 -43.5 23.5 52.5 -7.6 75 117 A E H X S+ 0 0 74 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.859 105.5 55.1 -65.1 -37.4 21.1 52.5 -4.7 76 118 A D H X S+ 0 0 93 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.946 111.0 45.3 -57.2 -50.7 23.2 55.1 -2.9 77 119 A R H >X S+ 0 0 45 -4,-2.1 4,-1.4 1,-0.2 3,-0.7 0.897 109.0 54.1 -60.9 -44.7 23.0 57.4 -5.9 78 120 A V H 3X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.874 102.2 62.2 -56.4 -34.9 19.2 56.9 -6.3 79 121 A G H 3X S+ 0 0 33 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.852 98.8 53.2 -58.6 -37.8 19.1 58.0 -2.7 80 122 A W H <>S+ 0 0 1 -4,-1.4 5,-2.7 2,-0.2 3,-1.0 0.896 111.2 53.6 -58.5 -51.7 17.8 61.9 -6.2 82 124 A A H ><5S+ 0 0 43 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.899 103.8 56.2 -52.5 -47.2 15.0 60.6 -3.9 83 125 A E H 3<5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.688 111.0 44.6 -62.0 -23.1 16.0 63.1 -1.2 84 126 A R T <<5S- 0 0 98 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.163 123.5-100.8-110.4 18.8 15.5 66.0 -3.7 85 127 A G T < 5 + 0 0 35 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.627 69.0 151.8 81.7 13.9 12.2 64.7 -5.1 86 128 A Y < - 0 0 1 -5,-2.7 2,-0.4 -6,-0.1 -37,-0.2 -0.432 40.5-138.6 -77.2 148.2 13.5 63.2 -8.4 87 129 A K E -h 49 0B 54 -39,-2.8 -37,-1.4 -2,-0.1 2,-0.4 -0.892 25.4-145.2 -96.2 143.7 12.0 60.3 -10.3 88 130 A V E -hi 50 178B 0 89,-2.5 91,-2.8 -2,-0.4 92,-1.5 -0.923 16.9-168.6-120.9 126.7 14.6 57.9 -11.7 89 131 A M E -hi 51 180B 0 -39,-3.1 -37,-3.1 -2,-0.4 2,-0.5 -0.977 19.5-144.3-106.7 122.9 14.8 55.8 -14.8 90 132 A L E -hi 52 181B 0 90,-2.2 92,-2.9 -2,-0.5 2,-0.5 -0.752 13.4-158.5 -89.8 129.8 17.5 53.2 -14.9 91 133 A D E -hi 53 182B 0 -39,-2.9 -37,-3.0 -2,-0.5 2,-1.6 -0.938 14.9-145.6-112.2 113.5 19.1 52.8 -18.3 92 134 A M E -h 54 0B 4 90,-1.8 93,-1.9 -2,-0.5 2,-0.3 -0.631 39.6-158.0 -74.7 90.9 20.9 49.5 -19.2 93 135 A H + 0 0 5 -39,-2.3 -37,-0.3 -2,-1.6 2,-0.3 -0.536 27.4 155.6 -89.5 135.1 23.4 51.4 -21.3 94 136 A Q - 0 0 15 -2,-0.3 2,-0.3 91,-0.1 18,-0.2 -0.967 16.8-171.2-141.7 152.3 25.6 50.2 -24.1 95 137 A D B S-O 111 0D 10 16,-1.8 16,-2.5 -2,-0.3 3,-0.1 -0.977 84.0 -2.4-132.4 136.6 27.3 51.7 -27.1 96 138 A V S S- 0 0 0 -2,-0.3 2,-2.2 1,-0.2 5,-0.1 0.849 115.7 -85.5 53.4 37.8 29.0 49.5 -29.7 97 139 A Y S S- 0 0 10 14,-0.1 16,-2.8 13,-0.1 2,-0.3 -0.302 95.4 -6.0 71.2 -55.6 28.1 46.5 -27.6 98 140 A S > - 0 0 0 -2,-2.2 3,-1.1 14,-0.2 13,-0.3 -0.981 56.2-116.3-167.6 149.2 31.0 46.4 -25.1 99 141 A G G > S+ 0 0 18 6,-2.0 3,-1.0 14,-0.4 7,-0.1 0.699 108.3 77.1 -61.7 -20.7 34.4 47.8 -24.1 100 142 A A G 3 + 0 0 37 13,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.327 65.6 92.6 -74.2 7.9 35.7 44.3 -24.9 101 143 A I G < S+ 0 0 9 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 0.646 97.0 17.0 -82.8 -17.0 35.5 44.9 -28.7 102 144 A T < 0 0 69 -3,-1.0 -1,-0.1 1,-0.1 24,-0.0 -0.961 360.0 360.0-139.0 162.9 39.2 46.1 -28.8 103 145 A P 0 0 180 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.929 360.0 360.0 -69.8 360.0 42.2 45.8 -26.6 104 ! 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 0.0 105 152 A G 0 0 31 0, 0.0 -6,-2.0 0, 0.0 7,-1.2 0.000 360.0 360.0 360.0 3.3 33.4 45.5 -20.7 106 153 A A + 0 0 37 5,-0.2 -81,-0.3 -8,-0.1 2,-0.3 -0.409 360.0 143.7 -63.2 149.5 33.8 49.1 -19.3 107 154 A G - 0 0 16 -83,-1.9 -81,-0.1 2,-0.1 -8,-0.1 -0.890 57.0-121.9 176.8 160.2 35.0 51.7 -21.8 108 155 A A S S+ 0 0 76 -2,-0.3 3,-0.1 -83,-0.2 -83,-0.1 0.736 111.2 14.9 -80.3 -28.7 34.8 55.3 -23.0 109 156 A I S S+ 0 0 84 1,-0.5 2,-0.1 -85,-0.1 -2,-0.1 0.679 130.7 36.1-106.9 -91.5 33.6 54.4 -26.5 110 157 A G S S+ 0 0 5 -12,-0.1 -1,-0.5 -11,-0.1 2,-0.3 -0.451 83.3 151.2 -58.6 135.5 32.4 50.7 -26.7 111 158 A N B +O 95 0D 3 -16,-2.5 -16,-1.8 -13,-0.3 2,-0.3 -0.956 20.5 56.3-167.8 149.1 30.6 49.9 -23.4 112 159 A G S S+ 0 0 2 -7,-1.2 -55,-2.5 -2,-0.3 -14,-0.2 -0.674 73.3 76.5 132.6 -78.1 28.0 47.8 -21.7 113 160 A A S S- 0 0 3 -16,-2.8 -14,-0.4 -2,-0.3 -13,-0.4 -0.347 78.3-110.5 -67.9 151.2 28.1 44.0 -22.0 114 161 A P > - 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0 0 0 0, 0.0 41,-2.2 0, 0.0 2,-0.4 -0.281 17.8-170.9 -57.5 133.0 16.0 51.7 38.5 624 235 B F - 0 0 16 39,-0.2 5,-0.1 40,-0.1 39,-0.0 -0.995 12.9-158.8-128.1 131.1 15.7 50.1 41.9 625 236 B G > - 0 0 0 -2,-0.4 3,-1.8 1,-0.3 2,-0.3 0.337 19.8-148.9 -99.3 7.2 18.8 50.0 44.2 626 237 B G T 3 S+ 0 0 2 1,-0.3 -1,-0.3 -55,-0.1 -48,-0.1 -0.488 82.5 2.3 66.3-125.8 17.9 47.1 46.6 627 238 B S T 3 S+ 0 0 78 -50,-0.4 2,-0.5 -2,-0.3 -1,-0.3 0.573 127.5 76.8 -62.7 -16.4 19.4 47.6 50.0 628 239 B L < + 0 0 49 -3,-1.8 2,-0.3 4,-0.0 -3,-0.3 -0.917 62.2 164.5 -99.4 123.9 20.6 51.0 48.7 629 240 B Q > + 0 0 73 -2,-0.5 3,-0.6 -5,-0.1 -5,-0.0 -0.971 41.0 12.7-137.6 151.7 18.0 53.7 48.4 630 241 B G T >> S- 0 0 18 -2,-0.3 4,-2.2 1,-0.2 3,-1.8 -0.410 119.3 -21.3 83.0-162.3 18.1 57.5 48.0 631 242 B P H 3> S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.729 130.5 65.8 -57.4 -24.3 21.2 59.5 47.0 632 243 B A H <4 S+ 0 0 69 -3,-0.6 -2,-0.2 2,-0.2 -4,-0.0 0.756 113.0 34.8 -66.1 -26.5 23.6 56.8 48.1 633 244 B F H <4>S+ 0 0 0 -3,-1.8 5,-2.2 3,-0.2 6,-0.4 0.899 122.9 43.3 -86.2 -52.7 22.1 54.7 45.3 634 245 B E H <>S+ 0 0 2 -4,-2.2 5,-1.7 1,-0.3 42,-0.5 0.864 122.0 36.0 -68.0 -45.7 21.6 57.4 42.7 635 246 B A T <5S+ 0 0 48 -4,-2.2 -1,-0.3 40,-0.2 -3,-0.2 0.524 125.3 48.9 -84.2 -7.7 24.9 59.3 43.1 636 247 B G T >5S- 0 0 29 -5,-0.3 4,-2.0 -3,-0.3 -3,-0.2 0.614 126.9 -10.5-100.1-114.6 26.6 56.0 43.7 637 248 B P H >5S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.829 128.7 60.2 -65.2 -30.5 26.3 52.9 41.6 638 249 B L H >< S+ 0 0 13 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.910 113.3 47.6 -57.3 -50.4 30.5 52.1 26.0 649 260 B I H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.5 0.895 103.6 61.2 -62.1 -41.3 27.8 53.5 23.7 650 261 B R T 3< S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.514 92.9 68.8 -68.1 -1.9 29.9 56.5 22.6 651 262 B Q T <4 S+ 0 0 126 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.772 118.4 17.6 -80.6 -32.4 32.4 54.0 21.2 652 263 B V T <4 S+ 0 0 26 -3,-1.5 2,-0.4 -4,-0.5 -2,-0.2 0.523 131.1 42.9-113.3 -14.2 29.9 53.0 18.5 653 264 B D < + 0 0 3 -4,-2.3 -1,-0.2 -5,-0.1 29,-0.1 -0.884 47.6 173.0-146.2 110.5 27.4 56.0 18.5 654 265 B Q S S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.723 78.9 38.4 -83.4 -25.0 28.3 59.6 18.8 655 266 B D S S+ 0 0 85 -46,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.605 78.1 102.8-112.8 -20.9 24.9 61.2 18.2 656 267 B T S S- 0 0 9 1,-0.1 -40,-0.2 -51,-0.1 2,-0.2 -0.510 75.6-112.3 -71.4 136.9 22.0 59.3 19.9 657 268 B W E -d 616 0I 20 -42,-2.1 -40,-2.0 -2,-0.2 2,-0.6 -0.486 23.2-140.9 -66.1 135.2 20.8 61.0 23.1 658 269 B V E -de 617 688I 0 29,-2.5 31,-2.8 -42,-0.2 2,-0.5 -0.907 19.0-157.3 -99.7 123.9 21.5 58.9 26.2 659 270 B C E -de 618 689I 0 -42,-3.2 -40,-2.2 -2,-0.6 2,-0.4 -0.900 6.5-165.0-111.0 133.4 18.6 59.2 28.6 660 271 B V E - 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