==== 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 HYDROLASE 22-FEB-07 2OYL . COMPND 2 MOLECULE: ENDOGLYCOCERAMIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR M.E.C.CAINES,N.C.J.STRYNADKA . 872 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.0 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 . 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 . 54 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 4 1 1 0 0 0 2 2 0 2 0 2 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 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 2 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 . 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 0 106 0, 0.0 2,-0.3 0, 0.0 321,-0.1 0.000 360.0 360.0 360.0 156.5 -1.0 61.4 -24.7 2 44 A S - 0 0 50 289,-0.4 291,-0.5 319,-0.2 2,-0.3 -0.767 360.0-152.7-108.1 154.8 -0.5 58.9 -21.8 3 45 A Y - 0 0 20 -2,-0.3 2,-0.1 289,-0.2 10,-0.1 -0.918 19.9-114.9-128.0 148.7 1.6 59.5 -18.7 4 46 A L - 0 0 6 8,-0.4 8,-2.7 -2,-0.3 2,-0.3 -0.485 41.5-144.6 -64.5 151.7 3.6 57.5 -16.2 5 47 A K B -A 11 0A 69 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.933 4.3-132.0-124.9 148.9 2.0 58.0 -12.7 6 48 A D > - 0 0 17 4,-1.9 3,-1.9 -2,-0.3 6,-0.0 -0.264 46.9 -87.0 -81.3-179.5 3.4 58.3 -9.2 7 49 A D T 3 S+ 0 0 139 1,-0.3 -1,-0.1 166,-0.2 -2,-0.0 0.650 129.6 59.3 -67.6 -15.2 1.9 56.3 -6.3 8 50 A D T 3 S- 0 0 64 2,-0.1 377,-0.4 375,-0.0 376,-0.3 0.410 119.2-111.1 -87.9 -1.4 -0.6 59.1 -5.7 9 51 A G < + 0 0 23 -3,-1.9 352,-0.2 1,-0.3 2,-0.2 0.507 68.0 148.1 83.8 6.6 -1.9 58.6 -9.3 10 52 A R - 0 0 27 350,-0.1 -4,-1.9 1,-0.1 2,-0.4 -0.494 52.8-114.1 -77.4 143.4 -0.5 61.9 -10.5 11 53 A S E -AB 5 359A 2 348,-2.5 348,-2.6 350,-0.6 2,-0.4 -0.649 33.1-135.0 -82.1 127.7 0.6 62.2 -14.1 12 54 A L E - B 0 358A 12 -8,-2.7 2,-0.6 -2,-0.4 -8,-0.4 -0.712 17.0-165.9 -95.2 128.3 4.4 62.8 -14.3 13 55 A I - 0 0 4 344,-2.1 2,-0.5 -2,-0.4 311,-0.1 -0.956 25.1-154.0-106.9 111.8 6.1 65.4 -16.6 14 56 A L + 0 0 4 -2,-0.6 311,-2.3 33,-0.1 2,-0.4 -0.786 21.1 170.6-104.1 125.4 9.7 64.3 -16.5 15 57 A R E +f 325 0B 24 -2,-0.5 33,-2.3 309,-0.2 34,-1.2 -0.973 28.7 88.9-135.5 117.3 12.6 66.6 -17.1 16 58 A G E -fg 326 49B 1 309,-2.1 311,-2.6 -2,-0.4 2,-0.3 -0.870 56.1 -74.0-171.4-151.4 16.3 65.8 -16.5 17 59 A F E -fg 327 50B 0 32,-0.8 34,-2.4 309,-0.3 2,-0.5 -0.826 32.9-105.9-127.6 160.5 19.6 64.4 -17.8 18 60 A N E - g 0 51B 0 309,-2.8 312,-2.8 -2,-0.3 311,-0.4 -0.815 43.9-138.7 -78.0 127.1 21.4 61.3 -18.7 19 61 A T E - g 0 52B 0 32,-2.3 34,-1.6 -2,-0.5 14,-0.1 -0.939 58.6 -6.8-137.4 108.9 23.9 60.7 -15.9 20 62 A A > + 0 0 2 -2,-0.4 3,-1.8 32,-0.2 4,-0.3 0.671 21.8 176.4-153.9 157.1 26.5 59.9 -17.0 21 63 A S G > S+ 0 0 34 1,-0.3 3,-2.0 -3,-0.2 4,-0.4 0.818 95.6 72.6 -56.3 -31.8 28.7 58.8 -19.9 22 64 A S G 3> S+ 0 0 19 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.707 85.6 65.8 -58.7 -23.4 31.6 58.8 -17.4 23 65 A A G <4 S+ 0 0 6 -3,-1.8 -1,-0.3 1,-0.2 3,-0.3 0.756 83.4 76.5 -66.1 -26.4 30.1 55.6 -15.8 24 66 A K T <4 S+ 0 0 46 -3,-2.0 85,-0.3 -4,-0.3 -1,-0.2 0.846 108.6 24.7 -57.1 -39.4 30.8 53.6 -19.0 25 67 A S T 4 S+ 0 0 100 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.483 90.5 119.5-105.5 -8.4 34.5 53.3 -18.3 26 68 A A >< - 0 0 14 -4,-0.6 3,-2.2 -3,-0.3 -3,-0.0 -0.426 63.1-137.6 -65.5 124.0 34.6 53.6 -14.5 27 69 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.880 106.4 44.0 -47.1 -41.1 36.0 50.4 -12.9 28 70 A D T 3 S- 0 0 69 2,-0.1 45,-0.1 1,-0.0 -2,-0.1 0.346 113.2-119.1 -90.8 5.6 33.3 50.6 -10.2 29 71 A G S < S+ 0 0 2 -3,-2.2 -6,-0.1 1,-0.2 29,-0.1 0.487 71.7 126.8 76.0 3.0 30.6 51.4 -12.7 30 72 A M - 0 0 4 -8,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.679 60.1-115.8 -94.8 147.8 29.7 54.7 -11.1 31 73 A P - 0 0 7 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 -0.415 30.0-108.4 -72.9 154.8 29.5 58.1 -12.9 32 74 A Q S S+ 0 0 161 -2,-0.1 2,-0.3 2,-0.0 -10,-0.1 -0.635 83.8 117.6 -77.8 79.0 31.9 60.9 -12.0 33 75 A F - 0 0 19 -2,-1.9 2,-0.2 -14,-0.1 298,-0.0 -0.960 47.6-159.7-157.4 124.4 29.0 62.7 -10.4 34 76 A T > - 0 0 67 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.557 35.6-106.8-107.4 170.5 28.6 63.6 -6.7 35 77 A E H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 123.4 55.4 -62.8 -38.1 25.8 64.5 -4.4 36 78 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 103.7 54.4 -60.1 -39.3 27.0 68.1 -4.6 37 79 A D H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 108.4 48.6 -61.6 -40.9 26.8 68.0 -8.4 38 80 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.919 108.0 54.4 -66.0 -42.4 23.1 66.9 -8.1 39 81 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.889 109.9 47.9 -54.5 -42.0 22.5 69.7 -5.6 40 82 A R H X S+ 0 0 86 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.919 110.7 50.1 -65.3 -48.0 23.9 72.1 -8.2 41 83 A E H X>S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.5 0.936 114.0 45.1 -54.8 -49.2 21.7 70.6 -11.0 42 84 A Y H X5S+ 0 0 30 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.908 113.9 48.9 -64.5 -44.1 18.6 70.9 -8.9 43 85 A A H <5S+ 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 119.0 38.9 -62.0 -37.1 19.4 74.5 -7.8 44 86 A D H <5S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.766 136.5 10.4 -86.9 -29.9 20.1 75.6 -11.3 45 87 A M H <5S- 0 0 3 -4,-2.3 308,-0.3 -5,-0.2 -3,-0.2 0.512 81.2-132.1-132.4 -11.8 17.4 73.8 -13.3 46 88 A G << + 0 0 0 -4,-1.9 -4,-0.2 -5,-0.5 -3,-0.1 0.800 40.2 178.5 58.7 33.1 14.8 72.2 -10.9 47 89 A T - 0 0 6 -6,-0.4 -31,-0.2 1,-0.1 -1,-0.1 -0.236 22.3-172.0 -64.6 155.3 15.0 68.9 -12.8 48 90 A N + 0 0 5 -33,-2.3 39,-2.5 38,-0.1 2,-0.3 0.202 60.6 59.1-133.4 12.6 12.9 65.9 -11.5 49 91 A F E -gh 16 87B 2 -34,-1.2 -32,-0.8 37,-0.2 2,-0.3 -0.970 51.4-171.8-144.1 150.7 14.1 63.0 -13.6 50 92 A V E -gh 17 88B 0 37,-1.3 39,-3.0 -2,-0.3 2,-0.8 -0.981 20.6-149.5-143.9 138.2 17.3 61.1 -14.4 51 93 A R E -gh 18 89B 0 -34,-2.4 -32,-2.3 -2,-0.3 2,-0.6 -0.937 33.4-159.3 -95.9 102.1 18.2 58.4 -17.0 52 94 A F E -gh 19 90B 1 37,-2.6 39,-2.7 -2,-0.8 2,-0.4 -0.776 10.1-129.3 -96.2 120.8 20.8 56.8 -14.8 53 95 A L E + h 0 91B 4 -34,-1.6 2,-0.2 -2,-0.6 39,-0.2 -0.516 33.8 165.7 -75.1 121.6 23.4 54.6 -16.6 54 96 A I E - h 0 92B 4 37,-3.0 39,-2.2 -2,-0.4 2,-0.4 -0.727 21.6-139.3-116.5 177.0 24.0 51.1 -15.3 55 97 A S >> - 0 0 8 -2,-0.2 4,-2.1 37,-0.2 3,-0.7 -0.998 19.5-136.9-148.2 142.7 25.8 48.3 -17.2 56 98 A W H 3> S+ 0 0 7 -2,-0.4 4,-3.0 37,-0.3 54,-0.2 0.886 107.6 59.5 -61.0 -41.1 25.5 44.6 -17.7 57 99 A R H 34 S+ 0 0 56 52,-2.8 -1,-0.2 1,-0.2 53,-0.1 0.821 110.6 42.7 -57.0 -32.2 29.3 44.1 -17.2 58 100 A S H <4 S+ 0 0 8 -3,-0.7 9,-0.3 51,-0.2 -2,-0.2 0.834 116.3 46.2 -84.3 -36.9 28.8 45.6 -13.7 59 101 A V H < S+ 0 0 0 -4,-2.1 8,-2.2 1,-0.2 -2,-0.2 0.912 128.6 23.2 -67.9 -45.1 25.6 43.7 -12.8 60 102 A E < + 0 0 0 -4,-3.0 -1,-0.2 6,-0.2 6,-0.2 -0.689 64.8 165.8-129.2 72.8 26.8 40.3 -14.0 61 103 A P S S+ 0 0 67 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 0.718 78.1 24.0 -64.9 -22.0 30.7 40.3 -14.0 62 104 A A B > S-N 65 0C 39 3,-1.0 3,-2.3 -3,-0.1 5,-0.0 -0.978 109.4 -76.4-138.7 151.8 30.6 36.5 -14.3 63 105 A P T 3 S- 0 0 72 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.206 114.9 -4.5 -53.1 122.5 27.9 34.2 -15.8 64 106 A G T 3 S+ 0 0 46 1,-0.1 2,-0.5 -4,-0.1 -4,-0.0 0.482 108.6 109.9 74.9 5.7 25.0 33.8 -13.3 65 107 A V B < -N 62 0C 84 -3,-2.3 -3,-1.0 2,-0.0 2,-0.3 -0.953 52.7-159.9-119.8 112.6 26.8 35.8 -10.6 66 108 A Y - 0 0 62 -2,-0.5 2,-1.1 -6,-0.2 -6,-0.2 -0.745 18.4-127.0 -99.4 140.5 25.4 39.2 -9.8 67 109 A D > - 0 0 50 -8,-2.2 4,-1.9 -2,-0.3 3,-0.2 -0.726 24.3-179.3 -90.7 99.3 27.4 41.9 -8.0 68 110 A Q H > S+ 0 0 90 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.749 82.2 59.1 -70.7 -22.9 25.4 43.0 -5.0 69 111 A Q H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.848 104.3 50.2 -73.4 -35.3 28.1 45.6 -4.1 70 112 A Y H > S+ 0 0 0 -3,-0.2 4,-2.3 -12,-0.2 -2,-0.2 0.945 110.3 50.2 -63.2 -46.7 27.7 47.3 -7.5 71 113 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.834 105.7 57.2 -62.1 -32.8 23.9 47.3 -6.8 72 114 A D H X S+ 0 0 79 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.917 107.3 48.4 -57.9 -45.0 24.6 48.9 -3.4 73 115 A R H X S+ 0 0 61 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.920 111.9 47.9 -65.3 -43.7 26.5 51.7 -5.2 74 116 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.943 111.4 51.3 -59.9 -46.8 23.6 52.2 -7.6 75 117 A E H X S+ 0 0 76 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 107.0 54.4 -58.3 -40.1 21.2 52.2 -4.7 76 118 A D H X S+ 0 0 80 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.930 111.3 44.4 -57.1 -49.0 23.3 54.9 -3.0 77 119 A R H >X S+ 0 0 43 -4,-2.1 4,-1.6 1,-0.2 3,-0.8 0.928 109.6 54.6 -63.5 -46.7 23.1 57.1 -6.0 78 120 A V H 3X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.874 103.1 60.1 -54.6 -38.3 19.4 56.5 -6.4 79 121 A G H 3X S+ 0 0 33 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.3 0.851 99.9 53.8 -57.5 -38.5 19.1 57.7 -2.8 80 122 A W H <>S+ 0 0 1 -4,-1.6 5,-2.5 2,-0.2 3,-0.9 0.930 111.6 53.4 -63.9 -46.0 17.9 61.5 -6.4 82 124 A A H ><5S+ 0 0 42 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.891 103.2 57.6 -55.4 -44.0 15.2 60.3 -4.0 83 125 A E H 3<5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 109.9 44.2 -60.2 -29.3 16.2 62.8 -1.3 84 126 A R T <<5S- 0 0 60 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.192 121.9-102.8-105.7 14.5 15.6 65.7 -3.8 85 127 A G T < 5 + 0 0 35 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.675 69.5 149.0 78.8 21.1 12.3 64.3 -5.2 86 128 A Y < - 0 0 2 -5,-2.5 2,-0.4 -6,-0.1 -37,-0.2 -0.510 41.6-137.5 -81.2 153.4 13.6 62.9 -8.5 87 129 A K E -h 49 0B 53 -39,-2.5 -37,-1.3 -2,-0.2 2,-0.4 -0.884 23.9-142.2-104.3 146.5 12.2 59.9 -10.3 88 130 A V E -hi 50 175B 0 86,-2.6 88,-2.3 -2,-0.4 89,-1.5 -0.914 15.9-165.4-118.7 130.6 14.8 57.5 -11.8 89 131 A M E -hi 51 177B 0 -39,-3.0 -37,-2.6 -2,-0.4 2,-0.5 -0.977 20.7-144.1-107.4 117.5 15.0 55.5 -15.0 90 132 A L E -hi 52 178B 0 87,-2.3 89,-3.1 -2,-0.5 2,-0.6 -0.728 14.8-158.1 -83.8 124.7 17.7 52.9 -14.9 91 133 A D E -hi 53 179B 0 -39,-2.7 -37,-3.0 -2,-0.5 2,-1.6 -0.903 14.9-147.5-110.1 112.7 19.3 52.5 -18.3 92 134 A M E -h 54 0B 2 87,-2.2 90,-1.9 -2,-0.6 2,-0.3 -0.637 39.9-160.2 -76.4 91.8 21.1 49.2 -19.2 93 135 A H + 0 0 5 -39,-2.2 -37,-0.3 -2,-1.6 2,-0.3 -0.554 26.4 156.6 -93.2 138.7 23.5 51.1 -21.3 94 136 A Q - 0 0 11 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.976 17.6-169.6-143.4 153.8 25.8 50.0 -24.1 95 137 A D B S-O 108 0D 10 13,-1.9 13,-2.0 -2,-0.3 3,-0.1 -0.938 85.0 -4.0-138.7 129.0 27.5 51.5 -27.1 96 138 A V S S- 0 0 0 -2,-0.3 2,-2.4 11,-0.2 11,-0.2 0.880 115.7 -84.6 56.6 40.2 29.2 49.2 -29.7 97 139 A Y S S- 0 0 9 10,-0.1 13,-3.0 3,-0.1 2,-0.3 -0.304 94.1 -6.6 72.6 -57.0 28.4 46.2 -27.4 98 140 A S > - 0 0 4 -2,-2.4 3,-1.1 11,-0.3 9,-0.6 -0.994 57.6-111.0-165.8 154.4 31.2 46.2 -25.0 99 141 A G G > S+ 0 0 27 11,-0.5 3,-1.0 -2,-0.3 7,-0.4 0.733 109.9 74.2 -60.5 -22.9 34.6 47.5 -23.8 100 142 A A G 3 + 0 0 38 10,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.376 65.0 93.7 -76.7 3.9 35.9 44.1 -24.9 101 143 A I G < S+ 0 0 3 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.708 97.5 21.5 -73.2 -20.5 35.7 44.8 -28.6 102 144 A T < 0 0 33 -3,-1.0 4,-0.1 1,-0.1 -1,-0.1 -0.991 360.0 360.0-137.0 148.8 39.3 46.0 -28.6 103 145 A P 0 0 180 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.868 360.0 360.0 -66.0 360.0 42.3 45.3 -26.3 104 ! 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 0.0 105 155 A A 0 0 102 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -65.4 37.9 51.4 -24.3 106 156 A I + 0 0 65 -7,-0.4 -7,-0.2 -8,-0.2 -6,-0.1 0.852 360.0 30.1 -97.7 -59.4 35.8 52.1 -27.4 107 157 A G - 0 0 6 -9,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.224 67.5-162.8 -88.8-176.9 32.5 50.4 -26.6 108 158 A N B +O 95 0D 14 -13,-2.0 -13,-1.9 -10,-0.2 2,-0.4 -0.959 46.1 59.9-161.1 155.0 30.8 49.7 -23.3 109 159 A G S S+ 0 0 2 -85,-0.3 -52,-2.8 -2,-0.3 -11,-0.3 -0.741 73.7 70.8 133.8 -85.0 28.1 47.5 -21.9 110 160 A A S S- 0 0 5 -13,-3.0 -11,-0.5 -2,-0.4 -10,-0.4 -0.349 78.9-110.5 -73.5 148.0 28.4 43.7 -22.0 111 161 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.391 31.5-108.3 -70.4 160.1 30.9 41.8 -19.9 112 162 A A G > S+ 0 0 71 1,-0.3 3,-1.9 2,-0.2 -50,-0.1 0.878 118.2 59.8 -56.7 -40.2 33.9 40.2 -21.6 113 163 A W G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -52,-0.3 -51,-0.0 0.751 105.8 49.4 -61.2 -24.8 32.5 36.7 -21.1 114 164 A A G < S+ 0 0 0 -3,-1.4 2,-0.7 1,-0.0 -1,-0.3 0.393 91.5 94.5 -92.5 1.2 29.4 37.7 -23.1 115 165 A T < + 0 0 19 -3,-1.9 2,-0.6 -4,-0.3 3,-0.1 -0.858 47.1 174.4-104.7 108.1 31.4 39.2 -26.0 116 166 A Y + 0 0 81 -2,-0.7 27,-0.3 24,-0.2 28,-0.1 -0.857 15.5 156.3-119.0 94.6 32.0 36.7 -28.9 117 167 A M > - 0 0 38 -2,-0.6 3,-2.1 22,-0.1 22,-0.1 0.510 45.0-139.3 -92.2 -9.6 33.7 38.3 -31.9 118 168 A D T 3 - 0 0 63 1,-0.3 -2,-0.1 -3,-0.1 18,-0.0 0.813 64.5 -59.6 55.0 37.3 35.1 34.9 -33.0 119 169 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 17,-0.1 17,-0.1 0.434 97.0 145.8 74.6 1.6 38.5 36.4 -33.9 120 170 A L < - 0 0 62 -3,-2.1 -1,-0.2 15,-0.1 14,-0.0 -0.435 52.3 -97.9 -75.2 144.3 36.9 38.8 -36.5 121 171 A P - 0 0 64 0, 0.0 15,-2.8 0, 0.0 16,-0.4 -0.178 28.1-172.0 -71.4 152.7 38.7 42.2 -36.8 122 172 A V - 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0 0 20 13,-0.2 3,-0.1 14,-0.2 9,-0.1 -0.701 23.4-174.0-134.9 82.2 10.6 35.1 46.7 563 173 B E - 0 0 120 -2,-0.2 11,-0.1 1,-0.1 -24,-0.0 -0.375 36.6 -80.4 -76.3 155.5 7.2 34.2 48.1 564 174 B P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.244 49.3-161.9 -53.9 140.2 3.9 35.1 46.4 565 175 B Q - 0 0 51 -3,-0.1 6,-0.1 1,-0.0 3,-0.0 -0.938 27.9-122.3-129.2 150.2 2.7 38.7 47.0 566 176 B P S S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.618 99.5 29.4 -69.5 -13.6 -0.7 40.4 46.6 567 177 B R S > S- 0 0 177 1,-0.1 3,-1.3 0, 0.0 4,-0.3 -0.991 80.0-123.7-145.7 146.1 0.7 43.0 44.2 568 178 B W G > S+ 0 0 94 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.814 106.0 62.3 -61.7 -33.6 3.6 42.8 41.7 569 179 B E G > S+ 0 0 79 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.798 93.0 65.9 -62.6 -28.8 5.5 45.8 43.1 570 180 B L G X S+ 0 0 71 -3,-1.3 3,-0.7 1,-0.3 -1,-0.3 0.603 82.7 74.5 -72.4 -12.5 5.9 44.0 46.5 571 181 B Y G X S+ 0 0 40 -3,-1.6 3,-1.5 -4,-0.3 6,-0.3 0.786 82.1 73.5 -65.7 -26.3 8.1 41.4 44.8 572 182 B Y G < S+ 0 0 21 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.827 97.8 44.7 -52.6 -37.3 10.8 44.1 44.8 573 183 B I G < S+ 0 0 101 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.340 83.9 116.4 -97.9 5.8 11.3 43.8 48.5 574 184 B Q S <> S- 0 0 31 -3,-1.5 4,-2.6 -4,-0.2 3,-0.4 -0.453 78.8-111.4 -70.5 148.0 11.4 40.0 48.8 575 185 B P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -13,-0.2 0.861 114.8 48.6 -51.2 -44.8 14.8 38.6 50.0 576 186 B G H > S+ 0 0 0 -15,-2.8 4,-2.6 2,-0.2 -14,-0.2 0.880 113.8 45.8 -63.2 -39.7 15.7 37.0 46.6 577 187 B V H > S+ 0 0 0 -3,-0.4 4,-2.5 -16,-0.3 5,-0.2 0.911 111.1 51.5 -73.6 -44.3 14.9 40.1 44.6 578 188 B M H X S+ 0 0 42 -4,-2.6 4,-2.7 1,-0.2 50,-0.4 0.911 114.0 46.3 -55.6 -42.4 16.7 42.5 47.0 579 189 B R H X S+ 0 0 76 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 0.916 107.5 55.4 -68.0 -44.7 19.7 40.1 46.7 580 190 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.931 115.1 40.6 -53.2 -47.3 19.5 39.9 42.8 581 191 B F H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 6,-0.3 0.913 112.4 53.9 -66.1 -44.9 19.7 43.7 42.8 582 192 B D H <>S+ 0 0 15 -4,-2.7 5,-1.7 -5,-0.2 6,-1.3 0.873 112.6 45.8 -58.2 -36.5 22.4 43.9 45.5 583 193 B N H ><5S+ 0 0 0 -4,-3.1 3,-1.2 -27,-0.3 8,-0.2 0.937 110.8 52.8 -70.0 -45.3 24.4 41.5 43.4 584 194 B F H 3<5S+ 0 0 2 -4,-2.5 11,-0.4 1,-0.3 -2,-0.2 0.910 114.0 41.0 -56.1 -47.1 23.7 43.5 40.2 585 195 B W T 3<5S- 0 0 13 -4,-2.8 -1,-0.3 9,-0.1 -2,-0.2 0.479 112.2-122.5 -78.9 -1.1 24.9 46.8 41.7 586 196 B N T < 5 + 0 0 56 -3,-1.2 3,-0.5 -5,-0.2 -3,-0.2 0.726 68.2 140.0 58.9 28.0 27.8 44.9 43.4 587 197 B T S + 0 0 23 -8,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.440 50.4 149.6-140.9 65.2 29.5 40.4 41.1 592 202 B P T 3> S+ 0 0 69 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.701 74.0 68.7 -66.7 -15.4 31.5 43.3 39.7 593 203 B E H 3> S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.719 80.3 74.2 -75.5 -23.7 31.0 41.8 36.2 594 204 B L H <> S+ 0 0 0 -3,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.933 96.6 45.4 -64.5 -47.0 27.2 42.4 36.0 595 205 B V H > S+ 0 0 16 -4,-0.4 4,-2.6 -11,-0.4 -1,-0.2 0.884 112.5 53.9 -61.8 -37.3 27.3 46.2 35.4 596 206 B E H X S+ 0 0 94 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.927 109.4 47.2 -63.5 -44.2 30.1 45.6 32.8 597 207 B H H X S+ 0 0 43 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.948 111.9 51.1 -57.3 -50.4 27.9 43.0 31.0 598 208 B Y H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 110.5 48.1 -53.2 -49.6 25.0 45.5 31.1 599 209 B A H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 114.0 46.4 -60.9 -40.8 27.1 48.3 29.6 600 210 B K H X S+ 0 0 127 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.783 108.0 55.8 -76.6 -27.8 28.5 46.1 26.8 601 211 B A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.910 109.6 48.0 -65.3 -42.8 25.0 44.8 26.0 602 212 B W H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.918 108.0 54.4 -60.5 -44.4 24.0 48.5 25.6 603 213 B R H X S+ 0 0 87 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 106.2 53.0 -55.5 -39.7 27.1 49.0 23.4 604 214 B A H X S+ 0 0 9 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.889 111.0 46.0 -63.9 -41.2 25.9 46.1 21.2 605 215 B V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 3,-0.2 0.925 112.9 49.6 -65.1 -45.8 22.5 47.7 20.8 606 216 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.829 106.1 57.4 -65.3 -32.5 24.1 51.1 20.1 607 217 B D H < S+ 0 0 99 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.872 110.4 43.7 -66.7 -36.6 26.3 49.5 17.5 608 218 B R H < S+ 0 0 52 -4,-1.4 3,-0.3 -3,-0.2 -2,-0.2 0.886 123.6 34.6 -71.2 -40.7 23.3 48.2 15.6 609 219 B F H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 6,-0.2 0.428 82.6 102.3-103.4 3.6 21.3 51.5 15.8 610 220 B A T 3< S+ 0 0 24 -4,-1.6 -1,-0.2 1,-0.3 46,-0.2 0.841 92.7 37.9 -54.1 -38.6 23.9 54.2 15.6 611 221 B D T 3 S+ 0 0 152 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.134 86.0 116.6-102.4 18.5 23.0 55.0 11.9 612 222 B N X - 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